#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n GLN 4 N 0.00 0.00 -1.81 1.61 6.02 -1.26 -5.19 117.38 116.75 3gtg n GLN 4 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 3gtg n GLN 4 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 3gtg n GLN 4 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3gtg n GLN 5 N -1.11 0.33 -4.36 -1.09 6.02 -1.26 -5.16 117.38 110.75 3gtg n GLN 5 Ca 0.00 -0.65 -0.35 0.00 -0.01 0.00 0.00 57.00 56.00 3gtg n GLN 5 Cb 0.00 0.81 -0.10 0.00 1.02 0.00 0.00 30.24 31.97 3gtg n GLN 5 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3gtg s TYR 6 N -6.97 3.14 0.30 1.08 5.04 -1.26 -5.12 117.35 113.55 3gtg s TYR 6 Ca 0.05 0.11 0.10 0.00 -2.44 0.00 0.00 57.07 54.88 3gtg s TYR 6 Cb -0.01 -1.83 -0.06 0.00 0.35 0.00 0.00 41.96 40.41 3gtg s TYR 6 CO 0.03 0.37 -0.14 0.45 -1.34 0.00 0.00 175.55 174.92 3gtg s SER 7 N -0.60 3.45 -0.54 4.32 0.15 -1.26 -5.06 113.70 114.17 3gtg s SER 7 Ca 0.10 -1.11 0.01 0.00 0.70 0.00 0.00 55.95 55.65 3gtg s SER 7 Cb -0.12 -0.29 0.45 0.00 -1.71 0.00 0.00 66.02 64.36 3gtg s SER 7 CO 0.02 -0.11 1.74 -1.54 1.20 0.00 0.00 173.24 174.55 3gtg n SER 8 N -0.65 6.72 -3.75 5.45 3.41 -1.26 -4.90 113.62 118.64 3gtg n SER 8 Ca -0.05 -3.78 -0.25 0.00 -0.26 0.00 0.00 58.87 54.53 3gtg n SER 8 Cb 0.62 -0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 63.64 3gtg n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtg s ALA 9 N -3.75 0.81 0.30 7.33 0.00 -1.26 -5.13 121.76 120.07 3gtg s ALA 9 Ca 0.60 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3gtg s ALA 9 Cb 0.47 -0.92 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 3gtg s ALA 9 CO 0.00 -0.74 1.24 -2.30 0.00 0.00 0.00 175.76 173.96 3gtg n PRO 10 N 5.11 1.89 -2.79 0.00 -0.02 -1.26 -4.98 135.00 132.96 3gtg n PRO 10 Ca -0.08 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3gtg n PRO 10 Cb 0.49 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3gtg n PRO 10 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtg s LEU 11 N -0.39 4.23 0.26 2.45 2.96 -1.26 -5.06 118.68 121.87 3gtg s LEU 11 Ca 0.59 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 3gtg s LEU 11 Cb -0.63 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 42.61 3gtg s LEU 11 CO 0.59 -0.40 0.07 -0.13 -1.32 0.00 0.00 176.35 175.16 3gtg s ARG 12 N 1.93 1.42 0.78 1.98 0.52 -1.26 -5.16 118.95 119.17 3gtg s ARG 12 Ca 0.44 -1.76 -0.09 0.00 -0.52 0.00 0.00 55.73 53.80 3gtg s ARG 12 Cb -0.18 -0.44 0.10 0.00 0.52 0.00 0.00 34.95 34.96 3gtg s ARG 12 CO 0.16 -0.23 1.11 0.99 0.02 0.00 0.00 175.30 177.35 3gtg s THR 13 N -3.61 2.15 -0.23 0.02 2.01 -1.26 -5.06 115.64 109.66 3gtg s THR 13 Ca 0.35 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 3gtg s THR 13 Cb 0.08 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 3gtg s THR 13 CO 0.13 0.00 0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 3gtg s VAL 14 N -3.43 5.36 -0.09 3.82 1.01 -1.26 -5.01 120.40 120.81 3gtg s VAL 14 Ca 0.64 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 3gtg s VAL 14 Cb -0.09 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3gtg s VAL 14 CO 0.47 0.35 -0.24 0.29 0.00 0.00 0.00 175.10 175.98 3gtg n LYS 15 N 4.21 0.36 -4.44 2.72 4.76 -1.26 -5.02 118.16 119.48 3gtg n LYS 15 Ca -0.15 0.14 -0.31 0.00 -2.87 0.00 0.00 58.31 55.12 3gtg n LYS 15 Cb 0.52 -1.13 -0.11 0.00 -1.84 0.00 0.00 35.03 32.48 3gtg n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gtg s GLU 16 N -2.61 2.38 -0.18 1.97 2.02 -1.26 -4.44 118.70 116.58 3gtg s GLU 16 Ca -0.20 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 53.97 3gtg s GLU 16 Cb 0.03 -2.40 0.02 0.00 0.10 0.00 0.00 34.13 31.87 3gtg s GLU 16 CO 0.29 0.57 -0.20 0.08 0.02 0.00 0.00 175.26 176.02 3gtg s VAL 17 N -1.04 2.11 -0.51 2.63 1.01 -1.17 -4.94 120.40 118.50 3gtg s VAL 17 Ca 0.18 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3gtg s VAL 17 Cb -0.11 -1.88 0.13 0.00 0.00 0.00 0.00 36.38 34.52 3gtg s VAL 17 CO 0.09 0.54 0.29 -1.58 0.00 0.00 0.00 175.10 174.43 3gtg s GLN 18 N 1.23 2.14 0.09 2.72 -0.44 -1.26 0.20 119.66 124.33 3gtg s GLN 18 Ca 0.03 -2.31 -0.31 0.00 -2.50 0.00 0.00 55.36 50.28 3gtg s GLN 18 Cb -0.13 -3.52 -0.07 0.00 -1.64 0.00 0.00 33.01 27.65 3gtg s GLN 18 CO -0.11 -1.10 1.27 -0.06 0.50 0.00 0.00 175.29 175.78 3gtg s PHE 19 N 0.28 3.37 0.00 1.67 0.40 -0.93 -4.97 117.98 117.80 3gtg s PHE 19 Ca 0.14 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 3gtg s PHE 19 Cb -0.22 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 39.80 3gtg s PHE 19 CO -0.03 -1.67 0.00 0.41 0.70 0.00 0.00 175.22 174.63 3gtg n GLY 20 N 3.26 4.05 3.10 4.36 0.00 -1.25 -3.77 105.19 114.94 3gtg n GLY 20 Ca 0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3gtg n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 21 N 0.00 1.71 -0.16 0.99 1.43 -0.60 -4.67 118.68 117.38 3gtg s LEU 21 Ca 0.00 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 3gtg s LEU 21 Cb 0.00 0.60 -0.03 0.00 0.03 0.00 0.00 46.19 46.79 3gtg s LEU 21 CO 0.00 -0.42 0.66 -0.36 0.23 0.00 0.00 176.35 176.46 3gtg s PHE 22 N -1.85 3.43 -0.11 0.29 0.40 -1.26 -4.77 117.98 114.10 3gtg s PHE 22 Ca -0.11 1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 57.12 3gtg s PHE 22 Cb -0.05 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.62 3gtg s PHE 22 CO -0.01 -0.11 0.29 -1.54 0.70 0.00 0.00 175.22 174.55 3gtg s SER 23 N 1.07 6.52 0.36 1.36 1.04 -1.26 -4.87 113.70 117.93 3gtg s SER 23 Ca 0.31 0.62 0.29 0.00 0.48 0.00 0.00 55.95 57.65 3gtg s SER 23 Cb -0.16 -2.18 1.17 0.00 0.10 0.00 0.00 66.02 64.95 3gtg s SER 23 CO 0.12 0.22 1.14 -0.81 0.98 0.00 0.00 173.24 174.89 3gtg n PRO 24 N 2.83 -0.02 -0.03 4.02 -0.04 -1.26 0.25 135.00 140.76 3gtg n PRO 24 Ca -0.14 0.86 -0.16 0.00 -0.04 0.00 0.00 63.50 64.03 3gtg n PRO 24 Cb 0.53 -1.82 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 3gtg n PRO 24 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gtg h GLU 25 N 0.00 0.46 0.00 0.54 4.81 -1.98 -2.47 114.58 115.94 3gtg h GLU 25 Ca 0.66 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3gtg h GLU 25 Cb 2.37 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.83 3gtg h GLU 25 CO -0.20 1.01 0.00 0.39 -0.73 0.00 0.00 179.01 179.48 3gtg n GLU 26 N -4.29 0.00 -0.35 1.92 1.02 -0.23 -3.71 120.64 115.00 3gtg n GLU 26 Ca -0.08 0.48 0.07 0.00 -0.02 0.00 0.00 57.16 57.61 3gtg n GLU 26 Cb 0.57 -1.31 0.15 0.00 -0.02 0.00 0.00 31.44 30.83 3gtg n GLU 26 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gtg h VAL 27 N 0.00 0.02 0.00 2.62 2.07 -0.36 0.86 116.25 121.46 3gtg h VAL 27 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3gtg h VAL 27 Cb 0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3gtg h VAL 27 CO 0.00 0.00 -0.03 -0.09 0.02 0.00 0.00 177.57 177.47 3gtg h ARG 28 N 0.00 0.00 0.00 1.57 2.43 -1.61 -1.46 114.38 115.31 3gtg h ARG 28 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 3gtg h ARG 28 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3gtg h ARG 28 CO -1.00 0.03 -0.01 0.00 -1.51 0.00 0.00 179.97 177.47 3gtg n ALA 29 N -2.22 2.23 0.65 2.80 0.00 0.26 -4.68 120.51 119.55 3gtg n ALA 29 Ca -0.02 -2.46 0.08 0.00 0.00 0.00 0.00 53.44 51.04 3gtg n ALA 29 Cb 0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 3gtg n ALA 29 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3gtg n ILE 30 N -1.33 0.00 -4.29 0.00 3.06 0.81 -5.01 119.36 112.60 3gtg n ILE 30 Ca 0.14 -0.16 -0.15 0.00 -2.50 0.00 0.00 62.75 60.08 3gtg n ILE 30 Cb 0.61 0.87 -0.10 0.00 0.54 0.00 0.00 39.64 41.56 3gtg n ILE 30 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3gtg s SER 31 N -2.73 1.44 0.01 9.51 1.04 -1.23 -4.80 113.70 116.94 3gtg s SER 31 Ca 0.04 -1.23 0.22 0.00 0.48 0.00 0.00 55.95 55.46 3gtg s SER 31 Cb 0.12 0.09 -0.13 0.00 0.10 0.00 0.00 66.02 66.19 3gtg s SER 31 CO 0.67 -0.58 0.86 1.33 0.98 0.00 0.00 173.24 176.50 3gtg n VAL 32 N -0.35 0.07 -3.64 5.02 0.24 -0.78 -4.92 118.33 113.98 3gtg n VAL 32 Ca -0.05 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 61.67 3gtg n VAL 32 Cb 0.64 0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 3gtg n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gtg s ALA 33 N -3.21 3.64 -0.02 2.33 0.00 -1.24 -4.69 121.76 118.57 3gtg s ALA 33 Ca 0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 3gtg s ALA 33 Cb 0.15 -2.29 -0.20 0.00 0.00 0.00 0.00 23.12 20.78 3gtg s ALA 33 CO 0.85 0.05 1.28 0.87 0.00 0.00 0.00 175.76 178.81 3gtg h LYS 34 N 6.86 0.04 -4.85 0.00 1.57 -1.84 -3.08 116.57 115.27 3gtg h LYS 34 Ca -0.40 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 3gtg h LYS 34 Cb 1.16 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.54 3gtg h LYS 34 CO 0.74 0.52 -0.30 -0.89 -0.57 0.00 0.00 179.45 178.95 3gtg n ILE 35 N -4.82 -7.73 -0.02 1.86 2.08 -1.26 -4.62 119.36 104.84 3gtg n ILE 35 Ca -0.08 -0.58 0.08 0.00 0.56 0.00 0.00 62.75 62.73 3gtg n ILE 35 Cb 0.26 -5.96 -0.16 0.00 -0.75 0.00 0.00 39.64 33.03 3gtg n ILE 35 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3gtg n ARG 36 N -2.16 0.66 -5.10 0.38 1.74 -1.15 -4.66 116.66 106.37 3gtg n ARG 36 Ca -0.02 -0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.60 3gtg n ARG 36 Cb 0.54 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 3gtg n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gtg s PHE 37 N -3.36 2.09 -0.61 -1.55 0.40 -1.02 -5.05 117.98 108.89 3gtg s PHE 37 Ca -0.08 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.70 3gtg s PHE 37 Cb 0.13 -1.37 0.33 0.00 0.51 0.00 0.00 43.02 42.62 3gtg s PHE 37 CO 0.90 -0.13 2.12 -0.35 0.70 0.00 0.00 175.22 178.46 3gtg n PRO 38 N 2.83 2.47 0.00 0.24 -0.04 -1.26 -3.74 135.00 135.50 3gtg n PRO 38 Ca -0.17 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 3gtg n PRO 38 Cb 0.52 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 3gtg n PRO 38 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gtg n GLU 39 N -0.34 3.78 0.05 0.54 1.02 -1.26 -4.92 120.64 119.51 3gtg n GLU 39 Ca 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 3gtg n GLU 39 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 3gtg n GLU 39 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtg n THR 40 N 0.00 0.94 -3.73 2.62 -1.04 -1.26 -4.80 114.28 107.01 3gtg n THR 40 Ca 0.00 0.31 -0.00 0.00 -2.04 0.00 0.00 64.05 62.32 3gtg n THR 40 Cb 0.00 -1.45 0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3gtg n THR 40 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3gtg n MET 41 N -3.42 0.17 -4.29 -2.82 0.00 -1.25 -0.97 117.12 104.54 3gtg n MET 41 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 57.70 56.94 3gtg n MET 41 Cb 0.06 0.62 -0.09 0.00 0.00 0.00 0.00 33.22 33.82 3gtg n MET 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3gtg s ASP 42 N -1.96 5.15 -1.18 6.12 -1.08 -1.26 -2.84 116.67 119.62 3gtg s ASP 42 Ca 0.10 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 52.10 3gtg s ASP 42 Cb -0.01 -1.36 0.22 0.00 -1.46 0.00 0.00 42.92 40.31 3gtg s ASP 42 CO 0.01 0.29 2.08 -0.62 0.52 0.00 0.00 175.17 177.45 3gtg n GLU 43 N 1.46 4.93 -2.99 4.34 1.02 -1.26 -4.72 120.64 123.42 3gtg n GLU 43 Ca -0.15 -4.05 -0.08 0.00 -0.02 0.00 0.00 57.16 52.86 3gtg n GLU 43 Cb 0.53 -2.57 0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3gtg n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtg n THR 44 N 0.99 -8.62 -2.70 2.62 -1.04 -1.26 -4.28 114.28 99.98 3gtg n THR 44 Ca 0.53 -0.83 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 3gtg n THR 44 Cb 0.26 -6.30 0.05 0.00 -1.82 0.00 0.00 70.33 62.52 3gtg n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtg n GLN 45 N -2.52 -2.30 -0.04 -2.82 6.02 -1.26 -4.99 117.38 109.47 3gtg n GLN 45 Ca -0.04 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3gtg n GLN 45 Cb 0.57 -4.36 0.00 0.00 1.02 0.00 0.00 30.24 27.47 3gtg n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gtg n THR 46 N -2.71 0.35 0.00 5.09 -1.04 -1.26 -5.01 114.28 109.69 3gtg n THR 46 Ca -0.09 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 3gtg n THR 46 Cb 0.59 0.78 0.00 0.00 -1.82 0.00 0.00 70.33 69.88 3gtg n THR 46 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gtg n ARG 47 N -0.19 0.00 0.00 -2.82 3.00 -1.26 -4.89 116.66 110.50 3gtg n ARG 47 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 3gtg n ARG 47 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3gtg n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gtg n ALA 48 N 0.00 0.00 -0.01 7.54 0.00 -1.26 -4.54 120.51 122.24 3gtg n ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3gtg n ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtg n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtg n LYS 49 N 0.00 0.08 -0.45 0.00 4.76 -1.25 -4.99 118.16 116.31 3gtg n LYS 49 Ca 0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3gtg n LYS 49 Cb 0.00 -0.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 3gtg n LYS 49 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3gtg n ILE 50 N -2.93 0.00 -2.91 -0.18 3.06 -0.14 -3.90 119.36 112.36 3gtg n ILE 50 Ca -0.02 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.91 3gtg n ILE 50 Cb 0.07 -1.32 -0.02 0.00 0.54 0.00 0.00 39.64 38.91 3gtg n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3gtg n GLY 51 N 5.00 5.67 0.00 4.50 0.00 -1.26 -4.42 105.19 114.68 3gtg n GLY 51 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.30 3gtg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLY 52 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.87 105.19 99.04 3gtg n GLY 52 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3gtg n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gtg n LEU 53 N -0.49 0.00 -4.08 0.99 0.00 -1.25 -2.44 117.00 109.73 3gtg n LEU 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 3gtg n LEU 53 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 3gtg n LEU 53 CO 0.00 0.00 0.21 0.54 0.00 0.00 0.00 177.39 178.14 3gtg s ASN 54 N -0.56 5.62 0.07 1.96 4.22 -1.26 -4.66 114.94 120.32 3gtg s ASN 54 Ca 0.00 -3.48 0.00 0.00 -2.14 0.00 0.00 52.86 47.24 3gtg s ASN 54 Cb 0.00 -1.86 0.00 0.00 1.28 0.00 0.00 41.25 40.67 3gtg s ASN 54 CO 0.00 -0.23 0.00 -0.67 -2.04 0.00 0.00 177.10 174.16 3gtg n ASP 55 N 2.64 -0.60 -3.00 3.54 -0.08 0.15 -4.39 116.55 114.79 3gtg n ASP 55 Ca 0.17 0.15 -0.08 0.00 -1.51 0.00 0.00 54.79 53.51 3gtg n ASP 55 Cb 0.37 0.91 -0.09 0.00 2.34 0.00 0.00 41.12 44.65 3gtg n ASP 55 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3gtg n PRO 56 N -2.57 0.00 -1.19 -0.67 -0.02 -1.26 0.40 135.00 129.68 3gtg n PRO 56 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3gtg n PRO 56 Cb 0.00 -0.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3gtg n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gtg n ARG 57 N 3.54 -0.82 -3.15 -0.52 5.12 -1.26 -3.91 116.66 115.66 3gtg n ARG 57 Ca 0.25 0.65 0.05 0.00 -1.93 0.00 0.00 57.85 56.87 3gtg n ARG 57 Cb 0.22 -4.52 -0.01 0.00 -1.16 0.00 0.00 32.46 26.99 3gtg n ARG 57 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gtg s LEU 58 N -1.52 -1.06 0.00 0.55 1.98 1.32 -3.74 118.68 116.20 3gtg s LEU 58 Ca 0.00 0.49 0.00 0.00 -2.89 0.00 0.00 54.13 51.73 3gtg s LEU 58 Cb 0.00 1.82 0.00 0.00 0.66 0.00 0.00 46.19 48.67 3gtg s LEU 58 CO 0.00 -0.20 0.00 0.61 -1.89 0.00 0.00 176.35 174.87 3gtg n GLY 59 N 5.41 -0.87 2.96 7.98 0.00 -1.25 0.30 105.19 119.72 3gtg n GLY 59 Ca -0.00 0.91 -0.27 0.00 0.00 0.00 0.00 46.02 46.65 3gtg n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtg s SER 60 N 0.00 2.25 0.00 1.61 1.04 -1.26 -4.37 113.70 112.97 3gtg s SER 60 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3gtg s SER 60 Cb 0.00 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.19 3gtg s SER 60 CO 0.00 -0.07 0.00 -0.38 0.98 0.00 0.00 173.24 173.77 3gtg n ILE 61 N 4.66 0.00 -2.71 -1.02 2.08 -1.26 -4.96 119.36 116.16 3gtg n ILE 61 Ca -0.16 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.09 3gtg n ILE 61 Cb 0.50 0.07 0.04 0.00 -0.75 0.00 0.00 39.64 39.50 3gtg n ILE 61 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3gtg n ASP 62 N -0.26 1.66 -4.08 4.38 2.03 -1.26 -4.95 116.55 114.07 3gtg n ASP 62 Ca 0.00 -2.50 -0.30 0.00 0.52 0.00 0.00 54.79 52.50 3gtg n ASP 62 Cb 0.00 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 3gtg n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gtg n ARG 63 N -0.29 -3.28 -3.95 -0.67 3.00 -1.26 -4.97 116.66 105.24 3gtg n ARG 63 Ca 0.10 0.39 -0.35 0.00 -0.01 0.00 0.00 57.85 57.98 3gtg n ARG 63 Cb 0.81 -4.78 -0.11 0.00 0.00 0.00 0.00 32.46 28.38 3gtg n ARG 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3gtg s ASN 64 N -3.87 5.43 0.00 0.55 0.02 -1.26 -4.94 114.94 110.88 3gtg s ASN 64 Ca 0.34 -0.03 0.21 0.00 -1.02 0.00 0.00 52.86 52.36 3gtg s ASN 64 Cb -0.19 -1.94 1.02 0.00 0.02 0.00 0.00 41.25 40.16 3gtg s ASN 64 CO 0.91 0.10 1.65 0.18 0.02 0.00 0.00 177.10 179.96 3gtg n LEU 65 N 4.03 0.00 0.00 0.60 7.99 -1.26 -4.30 117.00 124.07 3gtg n LEU 65 Ca -0.16 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 3gtg n LEU 65 Cb 0.52 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 3gtg n LEU 65 CO 0.34 -0.10 0.49 0.29 -1.51 0.00 0.00 177.39 176.90 3gtg n LYS 66 N -1.31 0.00 -1.83 3.23 4.76 -1.26 -3.68 118.16 118.06 3gtg n LYS 66 Ca 0.09 0.42 -0.21 0.00 -2.87 0.00 0.00 58.31 55.75 3gtg n LYS 66 Cb 0.17 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 3gtg n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gtg n GLN 68 N 8.79 -0.76 -4.19 0.00 -0.00 -1.25 -0.51 117.38 119.46 3gtg n GLN 68 Ca 0.43 0.13 -0.30 0.00 -0.00 0.00 0.00 57.00 57.26 3gtg n GLN 68 Cb 0.45 -4.38 -0.07 0.00 -0.00 0.00 0.00 30.24 26.25 3gtg n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3gtg n THR 69 N -4.07 -1.70 0.26 -0.39 -1.04 -1.23 -4.84 114.28 101.27 3gtg n THR 69 Ca 0.03 -0.44 0.10 0.00 -2.04 0.00 0.00 64.05 61.70 3gtg n THR 69 Cb 0.49 -1.62 0.70 0.00 -1.82 0.00 0.00 70.33 68.08 3gtg n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtg n GLN 71 N -4.09 0.00 0.00 0.00 6.02 -1.24 -4.85 117.38 113.21 3gtg n GLN 71 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3gtg n GLN 71 Cb 0.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.42 3gtg n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gtg n GLU 72 N 0.00 0.00 0.00 -1.09 -0.58 -1.26 -4.80 120.64 112.91 3gtg n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gtg n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3gtg n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gtg n GLY 73 N 0.00 0.42 0.23 0.62 0.00 -1.26 -4.84 105.19 100.37 3gtg n GLY 73 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.71 3gtg n GLY 73 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3gtg n MET 74 N 0.00 2.32 0.05 1.61 0.00 -1.26 -4.23 117.12 115.61 3gtg n MET 74 Ca 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 57.70 56.28 3gtg n MET 74 Cb 0.00 -1.10 0.15 0.00 0.00 0.00 0.00 33.22 32.27 3gtg n MET 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtg n ASN 75 N -0.04 0.68 0.00 3.17 5.15 -1.26 -4.82 115.26 118.14 3gtg n ASN 75 Ca 0.04 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 3gtg n ASN 75 Cb 0.28 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 3gtg n ASN 75 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3gtg n GLU 76 N -2.08 0.00 -1.14 1.20 4.07 -1.26 -5.00 120.64 116.43 3gtg n GLU 76 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3gtg n GLU 76 Cb 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 3gtg n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtg n PRO 78 N -0.07 -0.21 0.00 0.00 -0.02 -1.26 -4.67 135.00 128.77 3gtg n PRO 78 Ca 0.00 1.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.91 3gtg n PRO 78 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3gtg n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtg n GLY 79 N -1.44 -0.49 3.68 -1.23 0.00 -1.26 -5.01 105.19 99.44 3gtg n GLY 79 Ca 0.10 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 3gtg n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gtg s HIS 80 N 0.00 2.66 0.67 1.61 0.09 -1.26 -4.83 115.29 114.24 3gtg s HIS 80 Ca 0.00 0.65 -0.10 0.00 -0.00 0.00 0.00 55.06 55.62 3gtg s HIS 80 Cb 0.00 -3.74 0.01 0.00 -0.00 0.00 0.00 32.58 28.85 3gtg s HIS 80 CO 0.00 -2.86 1.04 -0.06 -0.00 0.00 0.00 174.74 172.86 3gtg s PHE 81 N 2.70 3.30 0.18 1.40 0.40 -1.26 -4.34 117.98 120.35 3gtg s PHE 81 Ca 0.66 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 3gtg s PHE 81 Cb -0.33 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 3gtg s PHE 81 CO 0.27 -1.08 0.06 0.20 0.70 0.00 0.00 175.22 175.37 3gtg s GLY 82 N -4.35 1.27 -0.03 4.36 0.00 -0.93 -1.86 107.32 105.78 3gtg s GLY 82 Ca 0.57 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.70 3gtg s GLY 82 CO 0.50 -1.46 -0.10 -2.38 0.00 0.00 0.00 173.10 169.67 3gtg s HIS 83 N -3.91 1.02 -0.21 1.90 -3.43 -1.17 0.17 115.29 109.65 3gtg s HIS 83 Ca 0.29 -0.26 -0.07 0.00 -0.80 0.00 0.00 55.06 54.22 3gtg s HIS 83 Cb 0.07 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.46 3gtg s HIS 83 CO 0.06 -0.11 0.07 -1.50 -2.00 0.00 0.00 174.74 171.26 3gtg s ILE 84 N 0.20 4.57 -0.49 -5.38 -1.16 0.15 -4.32 121.20 114.77 3gtg s ILE 84 Ca -0.04 -0.10 -0.24 0.00 -0.51 0.00 0.00 60.65 59.76 3gtg s ILE 84 Cb -0.09 -3.09 0.03 0.00 0.61 0.00 0.00 42.46 39.92 3gtg s ILE 84 CO 0.01 0.40 0.90 -1.81 -2.81 0.00 0.00 174.94 171.63 3gtg s ASP 85 N 0.96 6.42 0.19 4.50 1.01 -1.26 -2.55 116.67 125.93 3gtg s ASP 85 Ca 0.04 -0.12 -0.30 0.00 0.71 0.00 0.00 52.55 52.88 3gtg s ASP 85 Cb -0.14 -2.43 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 3gtg s ASP 85 CO 0.03 -1.09 1.01 -0.76 0.21 0.00 0.00 175.17 174.57 3gtg s LEU 86 N 3.72 4.55 -0.01 1.23 1.43 -1.24 -4.98 118.68 123.38 3gtg s LEU 86 Ca 0.33 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 3gtg s LEU 86 Cb -0.11 -3.60 -0.19 0.00 0.03 0.00 0.00 46.19 42.31 3gtg s LEU 86 CO 0.23 -0.05 1.20 0.00 0.23 0.00 0.00 176.35 177.96 3gtg h ALA 87 N 4.79 0.10 -3.34 4.21 0.00 -1.87 -3.45 119.26 119.69 3gtg h ALA 87 Ca -0.44 -0.36 -0.50 0.00 0.00 0.00 0.00 54.91 53.60 3gtg h ALA 87 Cb 1.21 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 3gtg h ALA 87 CO 0.70 0.02 -0.80 0.15 0.00 0.00 0.00 179.25 179.32 3gtg s LYS 88 N -3.83 1.47 0.05 0.00 1.02 -1.26 -5.13 119.74 112.06 3gtg s LYS 88 Ca -0.15 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.43 3gtg s LYS 88 Cb 0.03 -1.36 -0.06 0.00 -0.52 0.00 0.00 37.83 35.92 3gtg s LYS 88 CO 0.73 -0.10 0.24 -2.30 -0.92 0.00 0.00 175.35 173.00 3gtg n PRO 89 N 4.26 0.00 -3.98 -1.68 -0.02 -1.26 -5.03 135.00 127.28 3gtg n PRO 89 Ca -0.19 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.20 3gtg n PRO 89 Cb 0.51 -0.41 -0.10 0.00 -0.02 0.00 0.00 33.50 33.48 3gtg n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gtg s VAL 90 N -0.27 0.14 0.89 -1.45 -7.23 -1.03 -4.73 120.40 106.73 3gtg s VAL 90 Ca 0.25 -1.18 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 3gtg s VAL 90 Cb -0.37 -0.79 0.16 0.00 0.56 0.00 0.00 36.38 35.94 3gtg s VAL 90 CO 0.20 -0.65 1.25 -0.36 -0.31 0.00 0.00 175.10 175.23 3gtg s PHE 91 N -2.45 1.93 -0.12 2.82 0.08 -1.26 -0.43 117.98 118.55 3gtg s PHE 91 Ca -0.07 0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3gtg s PHE 91 Cb -0.02 -3.84 0.02 0.00 -0.57 0.00 0.00 43.02 38.61 3gtg s PHE 91 CO -0.04 -2.32 -0.13 -1.58 -0.10 0.00 0.00 175.22 171.05 3gtg s HIS 92 N -3.72 1.88 0.38 0.36 5.65 -1.26 -4.58 115.29 114.00 3gtg s HIS 92 Ca 0.70 -0.96 0.06 0.00 0.25 0.00 0.00 55.06 55.12 3gtg s HIS 92 Cb -0.06 -1.41 0.77 0.00 -1.18 0.00 0.00 32.58 30.70 3gtg s HIS 92 CO 0.51 -0.54 1.99 -0.39 -0.65 0.00 0.00 174.74 175.66 3gtg h VAL 93 N 6.05 1.14 0.00 0.89 -1.51 -1.91 -0.93 116.25 119.98 3gtg h VAL 93 Ca -0.33 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3gtg h VAL 93 Cb 1.15 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3gtg h VAL 93 CO 0.48 0.17 0.00 1.23 -1.23 0.00 0.00 177.57 178.22 3gtg h GLY 94 N 0.66 0.00 -0.87 5.19 0.00 -1.97 -3.29 103.07 102.79 3gtg h GLY 94 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3gtg h GLY 94 CO -0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.22 3gtg n PHE 95 N -2.91 0.04 0.03 5.60 0.99 -0.44 -4.56 117.46 116.21 3gtg n PHE 95 Ca 0.02 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.45 57.32 3gtg n PHE 95 Cb 0.35 -0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.78 3gtg n PHE 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3gtg h ILE 96 N 2.02 0.83 -0.86 4.37 1.08 -1.41 0.31 117.51 123.85 3gtg h ILE 96 Ca 0.00 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.67 3gtg h ILE 96 Cb 0.46 0.83 -0.16 0.00 -3.07 0.00 0.00 36.82 34.88 3gtg h ILE 96 CO 0.00 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.36 3gtg h ALA 97 N 0.96 0.77 0.05 1.87 0.00 -1.82 -1.69 119.26 119.40 3gtg h ALA 97 Ca 0.04 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3gtg h ALA 97 Cb 0.14 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3gtg h ALA 97 CO -0.10 -0.44 -0.03 0.87 0.00 0.00 0.00 179.25 179.55 3gtg h LYS 98 N 0.03 -0.07 -0.58 0.00 1.57 -1.75 -3.13 116.57 112.64 3gtg h LYS 98 Ca 0.46 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.36 3gtg h LYS 98 Cb 0.79 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 3gtg h LYS 98 CO -0.84 0.43 -0.10 0.82 -0.57 0.00 0.00 179.45 179.19 3gtg h ILE 99 N -0.60 0.44 -0.33 1.86 2.04 0.49 0.47 117.51 121.88 3gtg h ILE 99 Ca -0.01 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3gtg h ILE 99 Cb 0.53 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3gtg h ILE 99 CO 0.01 0.01 -0.14 0.50 0.00 0.00 0.00 178.15 178.52 3gtg h LYS 100 N 0.03 -0.08 -0.18 2.37 3.64 -1.54 0.46 116.57 121.27 3gtg h LYS 100 Ca 0.29 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3gtg h LYS 100 Cb 0.45 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3gtg h LYS 100 CO -0.57 -0.05 0.05 0.87 -2.27 0.00 0.00 179.45 177.48 3gtg h LYS 101 N -0.09 0.25 0.00 1.90 1.57 -0.20 -1.84 116.57 118.17 3gtg h LYS 101 Ca 0.17 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 3gtg h LYS 101 Cb 0.34 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3gtg h LYS 101 CO -0.39 0.23 -1.27 0.28 -0.57 0.00 0.00 179.45 177.73 3gtg h VAL 102 N 0.25 1.29 -0.33 0.50 2.07 -0.13 -3.29 116.25 116.61 3gtg h VAL 102 Ca 0.06 -3.03 -0.01 0.00 0.82 0.00 0.00 66.70 64.54 3gtg h VAL 102 Cb 0.09 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3gtg h VAL 102 CO -0.00 0.73 0.14 0.00 0.02 0.00 0.00 177.57 178.46 3gtg n GLU 104 N -4.41 1.37 0.00 0.00 1.02 -0.76 -3.30 120.64 114.55 3gtg n GLU 104 Ca 0.02 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 3gtg n GLU 104 Cb 0.13 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3gtg n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtg s VAL 106 N -0.30 1.21 0.54 0.00 1.01 -1.21 -3.61 120.40 118.05 3gtg s VAL 106 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 3gtg s VAL 106 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 3gtg s VAL 106 CO 0.00 0.04 1.01 0.00 0.00 0.00 0.00 175.10 176.15 3gtg h MET 108 N 0.75 0.18 0.00 0.00 2.86 -1.94 -3.07 114.93 113.71 3gtg h MET 108 Ca -0.47 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 3gtg h MET 108 Cb 1.20 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3gtg h MET 108 CO 0.60 0.96 -1.12 0.72 1.06 0.00 0.00 176.91 179.13 3gtg n HIS 109 N -3.33 0.13 0.00 -0.22 8.25 -1.26 -4.59 115.22 114.20 3gtg n HIS 109 Ca -0.24 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3gtg n HIS 109 Cb 1.05 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.85 3gtg n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtg n GLY 111 N 2.90 -2.52 3.61 0.00 0.00 -1.16 -4.85 105.19 103.18 3gtg n GLY 111 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 3gtg n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtg s LYS 112 N -0.97 0.14 1.20 1.61 2.20 -1.26 -4.45 119.74 118.22 3gtg s LYS 112 Ca 0.00 -0.06 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 3gtg s LYS 112 Cb 0.00 0.06 0.30 0.00 -1.51 0.00 0.00 37.83 36.68 3gtg s LYS 112 CO 0.00 -0.06 1.01 -0.51 -0.36 0.00 0.00 175.35 175.43 3gtg s LEU 113 N -2.36 0.55 0.00 5.43 1.43 -1.26 -2.93 118.68 119.53 3gtg s LEU 113 Ca 0.12 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3gtg s LEU 113 Cb 0.01 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3gtg s LEU 113 CO -0.04 -4.40 0.00 0.18 0.23 0.00 0.00 176.35 172.32 3gtg n LEU 114 N -5.04 0.94 0.00 1.79 4.77 -1.24 -4.83 117.00 113.40 3gtg n LEU 114 Ca 0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3gtg n LEU 114 Cb 0.55 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3gtg n LEU 114 CO 0.57 -0.31 0.00 0.18 -1.33 0.00 0.00 177.39 176.50 3gtg n LEU 115 N -1.55 0.00 0.00 2.23 4.77 -1.26 -5.01 117.00 116.18 3gtg n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gtg n LEU 115 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gtg n LEU 115 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 3gtg n ASP 116 N 0.00 0.00 0.00 -1.43 10.43 -1.26 -5.09 116.55 119.20 3gtg n ASP 116 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3gtg n ASP 116 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3gtg n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3gtg n GLU 117 N 0.00 0.00 -0.01 -1.24 1.02 -1.26 -4.80 120.64 114.35 3gtg n GLU 117 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3gtg n GLU 117 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3gtg n GLU 117 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3gtg n HIS 118 N 0.00 0.00 -1.66 -0.32 1.44 -1.26 -4.56 115.22 108.85 3gtg n HIS 118 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 3gtg n HIS 118 Cb 0.00 -0.10 -0.01 0.00 0.12 0.00 0.00 29.99 30.00 3gtg n HIS 118 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3gtg n ASN 119 N -1.97 -0.51 -1.39 4.39 5.03 -1.26 -2.00 115.26 117.55 3gtg n ASN 119 Ca -0.03 0.07 0.09 0.00 0.87 0.00 0.00 54.58 55.58 3gtg n ASN 119 Cb 0.46 -0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 3gtg n ASN 119 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gtg n GLU 120 N -1.29 -3.42 -0.18 3.52 -0.58 -1.26 -4.34 120.64 113.10 3gtg n GLU 120 Ca 0.01 2.74 0.00 0.00 -0.42 0.00 0.00 57.16 59.49 3gtg n GLU 120 Cb 0.21 -3.67 0.00 0.00 -0.57 0.00 0.00 31.44 27.41 3gtg n GLU 120 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 3gtg n LEU 121 N -3.46 0.00 -0.04 -4.62 -0.00 -1.26 -3.97 117.00 103.66 3gtg n LEU 121 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.92 3gtg n LEU 121 Cb 0.56 -0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 3gtg n LEU 121 CO 0.02 0.00 -0.77 0.80 -0.00 0.00 0.00 177.39 177.44 3gtg n MET 122 N -0.18 2.52 0.00 1.47 0.00 -1.09 -4.28 117.12 115.56 3gtg n MET 122 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 57.70 57.78 3gtg n MET 122 Cb 0.00 -1.22 0.43 0.00 0.00 0.00 0.00 33.22 32.43 3gtg n MET 122 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3gtg n ARG 123 N -2.29 0.11 0.08 2.12 -4.01 -0.85 -1.82 116.66 110.00 3gtg n ARG 123 Ca -0.13 0.15 0.11 0.00 -1.04 0.00 0.00 57.85 56.94 3gtg n ARG 123 Cb 0.75 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.65 3gtg n ARG 123 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3gtg n GLN 124 N -1.42 0.60 -0.02 2.89 6.02 -1.26 -4.16 117.38 120.03 3gtg n GLN 124 Ca 0.06 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.10 3gtg n GLN 124 Cb 0.19 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 29.68 3gtg n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtg h ALA 125 N 2.03 0.00 -1.25 -1.58 0.00 -1.71 -3.39 119.26 113.36 3gtg h ALA 125 Ca 0.00 -0.32 0.43 0.00 0.00 0.00 0.00 54.91 55.02 3gtg h ALA 125 Cb 0.99 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 3gtg h ALA 125 CO 0.00 0.15 0.81 1.28 0.00 0.00 0.00 179.25 181.49 3gtg n LEU 126 N -2.96 0.18 0.06 0.00 4.77 -0.76 -0.50 117.00 117.79 3gtg n LEU 126 Ca -0.02 1.21 0.11 0.00 -0.03 0.00 0.00 56.01 57.28 3gtg n LEU 126 Cb 0.08 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 3gtg n LEU 126 CO 0.03 -1.31 -0.14 0.00 -1.33 0.00 0.00 177.39 174.64 3gtg n ALA 127 N -2.55 2.79 -1.85 -1.18 0.00 -1.26 -4.90 120.51 111.56 3gtg n ALA 127 Ca 0.36 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3gtg n ALA 127 Cb 1.41 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 3gtg n ALA 127 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gtg s ILE 128 N -3.36 2.42 0.96 0.00 2.07 0.35 -4.99 121.20 118.65 3gtg s ILE 128 Ca -0.01 0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 59.45 3gtg s ILE 128 Cb 0.12 -3.21 0.17 0.00 0.13 0.00 0.00 42.46 39.67 3gtg s ILE 128 CO 0.82 0.04 1.11 -0.54 -1.91 0.00 0.00 174.94 174.46 3gtg s LYS 129 N 0.33 0.65 0.00 3.50 1.02 -1.26 -4.69 119.74 119.29 3gtg s LYS 129 Ca 0.66 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.97 3gtg s LYS 129 Cb -0.45 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3gtg s LYS 129 CO 0.39 -2.81 0.00 -0.25 -0.92 0.00 0.00 175.35 171.76 3gtg n ASP 130 N -4.33 -1.62 -0.12 2.83 9.92 -1.26 -4.50 116.55 117.48 3gtg n ASP 130 Ca 0.09 0.00 0.26 0.00 -0.53 0.00 0.00 54.79 54.62 3gtg n ASP 130 Cb 0.53 -0.81 0.72 0.00 -0.64 0.00 0.00 41.12 40.92 3gtg n ASP 130 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3gtg h SER 131 N 0.00 0.00 0.38 -2.24 0.02 -1.92 -1.91 113.55 107.88 3gtg h SER 131 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 3gtg h SER 131 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3gtg h SER 131 CO 0.00 0.00 -1.65 0.50 -1.14 0.00 0.00 176.83 174.54 3gtg h LYS 132 N 0.00 0.24 0.00 3.45 3.64 -1.91 -3.26 116.57 118.73 3gtg h LYS 132 Ca 0.37 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3gtg h LYS 132 Cb 1.56 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.51 3gtg h LYS 132 CO -0.00 1.08 -0.95 0.87 -2.27 0.00 0.00 179.45 178.17 3gtg h LYS 133 N 0.06 0.00 0.71 1.90 6.56 -1.81 -3.12 116.57 120.87 3gtg h LYS 133 Ca -0.29 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.27 3gtg h LYS 133 Cb 2.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.68 3gtg h LYS 133 CO 0.14 0.27 -0.45 -0.09 -2.06 0.00 0.00 179.45 177.26 3gtg h ARG 134 N 0.00 -1.05 -0.27 3.15 2.43 -1.51 -1.70 114.38 115.44 3gtg h ARG 134 Ca -0.07 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3gtg h ARG 134 Cb 1.36 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 3gtg h ARG 134 CO 0.04 -0.70 0.25 0.35 -1.51 0.00 0.00 179.97 178.41 3gtg h PHE 135 N -1.09 0.00 -0.25 2.20 3.57 -1.72 -2.05 116.94 117.60 3gtg h PHE 135 Ca -0.09 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 3gtg h PHE 135 Cb 0.87 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3gtg h PHE 135 CO -0.09 0.00 -0.14 0.00 -2.23 0.00 0.00 178.31 175.85 3gtg h ALA 136 N 1.74 1.29 0.00 2.41 0.00 -1.25 -2.70 119.26 120.75 3gtg h ALA 136 Ca 0.13 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3gtg h ALA 136 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gtg h ALA 136 CO -0.00 0.47 -0.64 0.00 0.00 0.00 0.00 179.25 179.08 3gtg h ALA 137 N 1.46 0.13 -0.62 0.00 0.00 -1.03 -3.39 119.26 115.81 3gtg h ALA 137 Ca 0.07 -0.83 0.11 0.00 0.00 0.00 0.00 54.91 54.26 3gtg h ALA 137 Cb 0.49 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 3gtg h ALA 137 CO 0.03 0.37 -0.29 0.82 0.00 0.00 0.00 179.25 180.17 3gtg h ILE 138 N -1.00 0.20 -0.54 0.00 2.04 -1.34 -0.99 117.51 115.89 3gtg h ILE 138 Ca -0.17 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.77 3gtg h ILE 138 Cb 1.09 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3gtg h ILE 138 CO -0.10 0.00 0.15 -0.25 0.00 0.00 0.00 178.15 177.95 3gtg h TRP 139 N -0.12 0.26 -0.98 1.37 7.01 -1.71 -0.66 115.95 121.12 3gtg h TRP 139 Ca 0.26 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.46 3gtg h TRP 139 Cb 0.54 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 27.48 3gtg h TRP 139 CO -0.62 0.04 0.61 1.15 -2.79 0.00 0.00 178.44 176.83 3gtg h THR 140 N 0.31 0.78 -0.03 2.65 2.02 -1.38 0.11 112.91 117.37 3gtg h THR 140 Ca 0.27 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gtg h THR 140 Cb 0.35 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3gtg h THR 140 CO -0.31 0.14 0.00 0.18 0.37 0.00 0.00 175.52 175.90 3gtg n LEU 141 N -4.66 0.30 0.00 2.58 4.77 -0.27 -3.61 117.00 116.11 3gtg n LEU 141 Ca 0.21 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3gtg n LEU 141 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3gtg n LEU 141 CO 0.25 0.06 0.14 0.00 -1.33 0.00 0.00 177.39 176.51 3gtg h LYS 143 N 0.00 0.10 -0.03 0.00 2.10 -1.48 -3.36 116.57 113.90 3gtg h LYS 143 Ca 0.00 -0.18 -0.21 0.00 -2.00 0.00 0.00 60.65 58.27 3gtg h LYS 143 Cb 0.20 0.07 0.02 0.00 -0.90 0.00 0.00 32.23 31.61 3gtg h LYS 143 CO 0.00 0.96 -0.78 1.15 -2.00 0.00 0.00 179.45 178.78 3gtg h THR 144 N 0.03 1.35 -2.51 0.07 2.02 -1.85 -3.44 112.91 108.57 3gtg h THR 144 Ca -0.14 -2.11 -0.53 0.00 0.77 0.00 0.00 66.41 64.40 3gtg h THR 144 Cb 1.91 2.41 0.04 0.00 -1.74 0.00 0.00 68.15 70.77 3gtg h THR 144 CO 0.14 0.64 1.13 -0.54 0.37 0.00 0.00 175.52 177.25 3gtg s LYS 145 N -3.36 4.14 0.00 6.66 -0.14 -1.26 -4.88 119.74 120.91 3gtg s LYS 145 Ca -0.12 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.10 3gtg s LYS 145 Cb 0.06 -3.66 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 3gtg s LYS 145 CO 0.87 -0.86 0.29 -1.33 -0.76 0.00 0.00 175.35 173.56 3gtg n MET 146 N 5.90 2.52 -4.19 1.68 2.81 -1.26 -4.93 117.12 119.63 3gtg n MET 146 Ca 0.18 -0.29 -0.28 0.00 -1.81 0.00 0.00 57.70 55.50 3gtg n MET 146 Cb 0.38 -0.79 -0.08 0.00 -0.71 0.00 0.00 33.22 32.03 3gtg n MET 146 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gtg s VAL 147 N -0.46 3.71 0.22 2.03 -7.23 -1.26 0.70 120.40 118.11 3gtg s VAL 147 Ca 0.00 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3gtg s VAL 147 Cb 0.00 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 3gtg s VAL 147 CO 0.01 -0.02 1.54 0.00 -0.31 0.00 0.00 175.10 176.31 3gtg n GLU 149 N -3.91 -2.37 -0.07 0.00 1.02 -1.26 -4.88 120.64 109.16 3gtg n GLU 149 Ca -0.03 1.97 -0.19 0.00 -0.02 0.00 0.00 57.16 58.90 3gtg n GLU 149 Cb 0.61 -1.92 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 3gtg n GLU 149 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3gtg h THR 150 N 1.85 1.26 -2.20 2.62 1.35 -1.91 -3.42 112.91 112.47 3gtg h THR 150 Ca 0.00 -2.28 -0.06 0.00 -0.55 0.00 0.00 66.41 63.52 3gtg h THR 150 Cb 0.00 2.74 -0.22 0.00 -1.73 0.00 0.00 68.15 68.94 3gtg h THR 150 CO 0.00 0.48 0.03 1.51 -0.25 0.00 0.00 175.52 177.29 3gtg s ASP 151 N -6.65 -0.67 0.01 5.36 3.84 -1.26 -4.68 116.67 112.62 3gtg s ASP 151 Ca -0.24 1.28 0.05 0.00 -0.00 0.00 0.00 52.55 53.65 3gtg s ASP 151 Cb 0.02 1.30 -0.03 0.00 -1.38 0.00 0.00 42.92 42.83 3gtg s ASP 151 CO 0.66 -0.22 -0.14 0.54 -0.00 0.00 0.00 175.17 176.01 3gtg s VAL 152 N 0.38 3.10 -0.07 2.11 0.11 -1.25 -5.03 120.40 119.74 3gtg s VAL 152 Ca -0.00 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.78 3gtg s VAL 152 Cb -0.04 -2.30 -0.06 0.00 -1.53 0.00 0.00 36.38 32.44 3gtg s VAL 152 CO 0.00 0.40 1.81 -2.16 -3.33 0.00 0.00 175.10 171.82 3gtg s PRO 153 N -1.30 4.00 0.21 1.54 0.04 -1.26 -4.30 135.00 133.93 3gtg s PRO 153 Ca 0.15 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 3gtg s PRO 153 Cb -0.11 -4.09 -0.09 0.00 0.04 0.00 0.00 34.50 30.25 3gtg s PRO 153 CO 0.05 -1.08 1.33 -1.54 0.04 0.00 0.00 177.00 175.80 3gtg s SER 154 N 4.35 6.85 0.00 6.66 1.04 -1.26 -4.77 113.70 126.57 3gtg s SER 154 Ca 0.81 2.45 0.00 0.00 0.48 0.00 0.00 55.95 59.69 3gtg s SER 154 Cb -0.35 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.16 3gtg s SER 154 CO 0.34 -0.56 0.00 -0.62 0.98 0.00 0.00 173.24 173.38 3gtg n GLU 155 N 2.53 0.00 -1.68 4.02 -0.58 -1.26 -3.88 120.64 119.78 3gtg n GLU 155 Ca 0.06 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.40 3gtg n GLU 155 Cb 0.42 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.26 3gtg n GLU 155 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3gtg s ASP 156 N -0.77 5.11 0.52 1.62 -4.77 -1.26 -4.71 116.67 112.41 3gtg s ASP 156 Ca 0.00 1.35 0.28 0.00 -3.30 0.00 0.00 52.55 50.88 3gtg s ASP 156 Cb 0.00 -2.51 1.45 0.00 -1.09 0.00 0.00 42.92 40.77 3gtg s ASP 156 CO 0.00 -2.32 2.07 -0.78 0.70 0.00 0.00 175.17 174.84 3gtg h ASP 157 N 16.48 0.00 -3.98 2.11 1.82 -1.86 -3.33 116.42 127.67 3gtg h ASP 157 Ca -0.32 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 55.68 3gtg h ASP 157 Cb 1.23 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.83 3gtg h ASP 157 CO 1.07 0.11 -0.60 -2.16 -1.61 0.00 0.00 179.24 176.05 3gtg s PRO 158 N -4.18 2.15 0.27 0.28 0.04 -1.26 -4.74 135.00 127.56 3gtg s PRO 158 Ca -0.03 -2.86 0.00 0.00 0.04 0.00 0.00 61.00 58.16 3gtg s PRO 158 Cb 0.13 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3gtg s PRO 158 CO 0.58 -1.17 0.00 2.41 0.04 0.00 0.00 177.00 178.87 3gtg n THR 159 N 2.75 0.00 -3.75 1.26 -1.04 -1.25 -5.13 114.28 107.12 3gtg n THR 159 Ca 0.10 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.84 3gtg n THR 159 Cb 0.33 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3gtg n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtg n GLN 160 N -3.31 -1.07 -1.99 -2.82 3.00 -1.26 -4.40 117.38 105.53 3gtg n GLN 160 Ca 0.00 0.47 -0.43 0.00 -0.01 0.00 0.00 57.00 57.03 3gtg n GLN 160 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 30.24 28.27 3gtg n GLN 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3gtg s LEU 161 N -5.29 3.81 0.22 1.08 1.98 -1.26 -4.11 118.68 115.11 3gtg s LEU 161 Ca 0.12 1.69 0.10 0.00 -2.89 0.00 0.00 54.13 53.15 3gtg s LEU 161 Cb -0.06 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.21 3gtg s LEU 161 CO 0.80 -1.41 -0.13 0.68 -1.89 0.00 0.00 176.35 174.40 3gtg s VAL 162 N 5.84 2.92 0.00 1.68 -7.23 -1.26 -5.04 120.40 117.31 3gtg s VAL 162 Ca 0.78 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3gtg s VAL 162 Cb -0.27 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3gtg s VAL 162 CO 0.32 -0.21 0.00 -0.24 -0.31 0.00 0.00 175.10 174.66 3gtg n SER 163 N -0.20 0.00 0.00 4.85 2.88 -1.26 -3.87 113.62 116.01 3gtg n SER 163 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3gtg n SER 163 Cb 0.57 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3gtg n SER 163 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gtg n ARG 164 N -1.94 0.00 -1.89 -1.46 3.00 -1.26 -4.78 116.66 108.33 3gtg n ARG 164 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 3gtg n ARG 164 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 3gtg n ARG 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3gtg s GLY 165 N -1.56 2.73 0.00 -0.13 0.00 -1.26 -5.00 107.32 102.10 3gtg s GLY 165 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 3gtg s GLY 165 CO 0.00 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.15 3gtg n GLY 166 N 0.58 4.13 2.04 0.20 0.00 -1.26 -4.90 105.19 105.99 3gtg n GLY 166 Ca 0.14 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3gtg n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg n GLY 168 N 1.30 4.09 0.00 0.00 0.00 -1.26 -4.29 105.19 105.03 3gtg n GLY 168 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3gtg n GLY 168 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gtg n ASN 169 N -1.08 -0.07 -4.57 1.61 5.15 -1.26 -4.76 115.26 110.28 3gtg n ASN 169 Ca 0.10 -0.71 -0.25 0.00 -0.60 0.00 0.00 54.58 53.13 3gtg n ASN 169 Cb 0.50 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.67 3gtg n ASN 169 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3gtg s THR 170 N -0.74 3.09 -0.16 -0.44 -4.23 -1.26 -1.77 115.64 110.13 3gtg s THR 170 Ca 0.00 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.50 3gtg s THR 170 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 3gtg s THR 170 CO 0.00 -0.27 0.12 -1.58 -0.54 0.00 0.00 174.62 172.35 3gtg s GLN 171 N -3.28 3.79 0.86 3.99 0.74 0.22 -4.85 119.66 121.14 3gtg s GLN 171 Ca 0.28 -0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.36 3gtg s GLN 171 Cb -0.07 -3.26 0.14 0.00 1.10 0.00 0.00 33.01 30.92 3gtg s GLN 171 CO 0.17 0.51 1.21 -1.25 -0.55 0.00 0.00 175.29 175.38 3gtg s PRO 172 N -0.27 1.30 -0.98 1.67 0.04 -1.26 -4.67 135.00 130.83 3gtg s PRO 172 Ca 0.10 -0.32 -0.12 0.00 0.04 0.00 0.00 61.00 60.71 3gtg s PRO 172 Cb -0.12 -1.96 0.25 0.00 0.04 0.00 0.00 34.50 32.71 3gtg s PRO 172 CO 0.01 -1.95 0.96 0.99 0.04 0.00 0.00 177.00 177.06 3gtg s THR 173 N -3.65 5.79 0.32 1.26 2.01 -0.64 -4.74 115.64 115.99 3gtg s THR 173 Ca 0.68 -2.95 -0.29 0.00 0.31 0.00 0.00 61.69 59.44 3gtg s THR 173 Cb -0.07 -4.55 -0.10 0.00 0.01 0.00 0.00 72.50 67.79 3gtg s THR 173 CO 0.50 -1.13 1.30 -0.63 -0.69 0.00 0.00 174.62 173.97 3gtg s ILE 174 N -0.50 2.76 0.07 1.82 1.01 -1.26 -3.76 121.20 121.35 3gtg s ILE 174 Ca 0.25 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.59 3gtg s ILE 174 Cb -0.10 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3gtg s ILE 174 CO -0.08 0.18 0.14 -0.60 0.00 0.00 0.00 174.94 174.58 3gtg s ARG 175 N -1.67 0.75 -0.17 2.79 3.52 -0.08 -5.00 118.95 119.09 3gtg s ARG 175 Ca 0.49 -0.93 -0.17 0.00 -0.13 0.00 0.00 55.73 54.99 3gtg s ARG 175 Cb -0.39 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.26 3gtg s ARG 175 CO 0.52 -0.22 0.45 0.21 -0.81 0.00 0.00 175.30 175.44 3gtg s LYS 176 N -3.54 4.24 -0.42 5.12 2.20 -1.26 -2.34 119.74 123.73 3gtg s LYS 176 Ca 0.03 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 3gtg s LYS 176 Cb 0.04 -3.50 0.17 0.00 -1.51 0.00 0.00 37.83 33.02 3gtg s LYS 176 CO -0.09 0.01 0.34 0.34 -0.36 0.00 0.00 175.35 175.59 3gtg s ASP 177 N 0.90 1.61 0.00 1.43 2.15 -1.13 -4.99 116.67 116.65 3gtg s ASP 177 Ca 0.22 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 50.14 3gtg s ASP 177 Cb -0.15 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 3gtg s ASP 177 CO 0.09 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 3gtg n GLY 178 N 2.86 1.02 0.03 2.66 0.00 -1.26 -2.58 105.19 107.93 3gtg n GLY 178 Ca 0.29 0.44 -0.04 0.00 0.00 0.00 0.00 46.02 46.71 3gtg n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtg n LEU 179 N 0.00 1.85 -4.84 0.99 4.77 -1.26 -5.02 117.00 113.49 3gtg n LEU 179 Ca 0.00 -0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.59 3gtg n LEU 179 Cb 0.00 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3gtg n LEU 179 CO 0.00 0.44 0.21 -0.54 -1.33 0.00 0.00 177.39 176.17 3gtg s LYS 180 N -2.14 4.01 -0.20 3.23 3.01 -1.06 -4.97 119.74 121.62 3gtg s LYS 180 Ca -0.07 0.52 -0.08 0.00 -1.01 0.00 0.00 55.97 55.32 3gtg s LYS 180 Cb 0.02 -3.07 -0.04 0.00 -1.01 0.00 0.00 37.83 33.73 3gtg s LYS 180 CO 0.19 0.57 0.09 -0.51 0.51 0.00 0.00 175.35 176.20 3gtg s LEU 181 N -1.57 3.90 0.09 3.17 1.43 -1.26 -2.82 118.68 121.62 3gtg s LEU 181 Ca 0.33 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 3gtg s LEU 181 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3gtg s LEU 181 CO 0.18 0.15 -0.02 -0.69 0.23 0.00 0.00 176.35 176.20 3gtg s VAL 182 N 0.52 3.88 0.09 -1.59 1.01 -0.99 -2.76 120.40 120.57 3gtg s VAL 182 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3gtg s VAL 182 Cb -0.12 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3gtg s VAL 182 CO 0.01 0.12 -0.11 -0.83 0.00 0.00 0.00 175.10 174.28 3gtg s GLY 183 N -2.29 0.87 -0.31 4.51 0.00 -0.79 -0.90 107.32 108.41 3gtg s GLY 183 Ca 0.25 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 3gtg s GLY 183 CO 0.17 -1.21 0.09 -0.45 0.00 0.00 0.00 173.10 171.71 3gtg s SER 184 N -2.26 4.05 1.05 1.64 0.15 -1.25 -2.45 113.70 114.63 3gtg s SER 184 Ca 0.04 -1.65 -0.06 0.00 0.70 0.00 0.00 55.95 54.98 3gtg s SER 184 Cb -0.05 -0.91 0.08 0.00 -1.71 0.00 0.00 66.02 63.43 3gtg s SER 184 CO 0.01 -0.41 0.34 0.79 1.20 0.00 0.00 173.24 175.17 3gtg n TRP 185 N 4.81 -3.47 0.00 3.44 8.01 -1.21 -1.62 117.44 127.41 3gtg n TRP 185 Ca -0.02 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.86 3gtg n TRP 185 Cb 0.42 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 3gtg n TRP 185 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3gtg n LYS 186 N -2.30 0.00 0.00 -0.99 4.76 -1.26 -4.70 118.16 113.66 3gtg n LYS 186 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3gtg n LYS 186 Cb 0.17 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 3gtg n LYS 186 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3gtg n LYS 187 N 0.00 1.06 -1.44 1.97 2.85 -1.26 -4.90 118.16 116.44 3gtg n LYS 187 Ca 0.00 0.00 -0.62 0.00 -1.05 0.00 0.00 58.31 56.64 3gtg n LYS 187 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 3gtg n LYS 187 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3gtg n ASP 188 N 0.00 1.04 -0.68 -5.58 -0.08 -1.26 -4.75 116.55 105.23 3gtg n ASP 188 Ca 0.00 0.85 -0.01 0.00 -1.51 0.00 0.00 54.79 54.12 3gtg n ASP 188 Cb 0.00 -0.92 -0.01 0.00 2.34 0.00 0.00 41.12 42.52 3gtg n ASP 188 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3gtg n ARG 189 N 6.32 0.00 -2.76 -0.67 1.74 -1.26 -5.11 116.66 114.92 3gtg n ARG 189 Ca 0.45 -0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 3gtg n ARG 189 Cb -0.03 0.02 -0.03 0.00 -1.02 0.00 0.00 32.46 31.40 3gtg n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtg s ALA 190 N 0.00 3.51 0.00 7.54 0.00 -1.26 -4.44 121.76 127.11 3gtg s ALA 190 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3gtg s ALA 190 Cb 0.03 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3gtg s ALA 190 CO -0.01 -0.72 0.00 2.41 0.00 0.00 0.00 175.76 177.44 3gtg n THR 191 N 4.79 0.00 -0.86 0.00 -1.04 -1.26 -4.98 114.28 110.93 3gtg n THR 191 Ca 0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.13 3gtg n THR 191 Cb 0.48 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.05 3gtg n THR 191 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gtg n GLY 192 N -0.57 2.61 0.00 3.41 0.00 -1.26 -5.08 105.19 104.29 3gtg n GLY 192 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3gtg n GLY 192 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtg n ASP 193 N -0.73 0.00 0.00 1.61 -0.08 -1.26 -5.06 116.55 111.03 3gtg n ASP 193 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 3gtg n ASP 193 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 3gtg n ASP 193 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gtg n ALA 194 N -1.30 0.00 -0.62 -1.67 0.00 -1.26 -4.85 120.51 110.80 3gtg n ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtg n ALA 194 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtg n ALA 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gtg n ASP 195 N 0.00 0.00 -2.49 0.00 2.03 -1.26 -4.90 116.55 109.93 3gtg n ASP 195 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3gtg n ASP 195 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3gtg n ASP 195 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gtg n GLU 196 N 1.18 0.00 0.00 -0.67 1.02 -1.26 -4.90 120.64 116.01 3gtg n GLU 196 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gtg n GLU 196 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3gtg n GLU 196 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3gtg n PRO 197 N -0.50 -0.04 -2.73 3.49 -0.02 -1.26 -5.08 135.00 128.86 3gtg n PRO 197 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3gtg n PRO 197 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.54 3gtg n PRO 197 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3gtg n GLU 198 N -0.77 0.59 -2.41 -0.52 0.00 -1.26 -5.06 120.64 111.22 3gtg n GLU 198 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 57.16 55.28 3gtg n GLU 198 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 31.44 30.31 3gtg n GLU 198 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gtg n LEU 199 N 1.67 7.10 -4.76 -1.84 4.77 -1.26 -3.31 117.00 119.37 3gtg n LEU 199 Ca 0.07 -4.92 -0.41 0.00 -0.03 0.00 0.00 56.01 50.72 3gtg n LEU 199 Cb 0.65 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 3gtg n LEU 199 CO -0.01 1.72 0.90 -0.60 -1.33 0.00 0.00 177.39 178.07 3gtg s ARG 200 N -1.28 4.48 -0.51 3.23 3.52 -1.03 -4.87 118.95 122.49 3gtg s ARG 200 Ca 0.42 2.02 -0.15 0.00 -0.13 0.00 0.00 55.73 57.89 3gtg s ARG 200 Cb 0.12 -3.13 0.11 0.00 -1.56 0.00 0.00 34.95 30.49 3gtg s ARG 200 CO -0.02 -0.02 0.45 0.08 -0.81 0.00 0.00 175.30 174.99 3gtg s VAL 201 N -1.03 5.13 0.12 7.11 1.01 -1.26 -1.88 120.40 129.60 3gtg s VAL 201 Ca 0.48 -1.39 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3gtg s VAL 201 Cb -0.36 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 3gtg s VAL 201 CO 0.46 -0.77 1.55 -0.76 0.00 0.00 0.00 175.10 175.58 3gtg s LEU 202 N 1.59 4.37 0.00 3.92 1.02 -1.11 -5.00 118.68 123.47 3gtg s LEU 202 Ca 0.03 2.50 0.00 0.00 0.02 0.00 0.00 54.13 56.68 3gtg s LEU 202 Cb -0.28 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.35 3gtg s LEU 202 CO 0.04 -0.80 0.00 -0.24 0.02 0.00 0.00 176.35 175.36 3gtg n SER 203 N 4.51 0.00 -0.09 2.29 2.88 -1.26 -4.46 113.62 117.49 3gtg n SER 203 Ca 0.14 -0.91 -0.18 0.00 -1.33 0.00 0.00 58.87 56.59 3gtg n SER 203 Cb 0.40 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.73 3gtg n SER 203 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3gtg n THR 204 N -1.65 1.57 -0.09 2.46 -1.04 -1.26 -4.29 114.28 109.98 3gtg n THR 204 Ca 0.00 -0.62 0.02 0.00 -2.04 0.00 0.00 64.05 61.41 3gtg n THR 204 Cb 0.00 -1.44 0.35 0.00 -1.82 0.00 0.00 70.33 67.42 3gtg n THR 204 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3gtg h GLU 205 N 0.02 0.73 -1.18 -2.82 4.57 -1.97 -1.86 114.58 112.07 3gtg h GLU 205 Ca -0.52 -0.05 -0.48 0.00 -1.18 0.00 0.00 59.36 57.13 3gtg h GLU 205 Cb 1.97 -0.16 -0.22 0.00 -0.16 0.00 0.00 28.75 30.17 3gtg h GLU 205 CO -0.02 0.48 0.62 -1.91 -1.18 0.00 0.00 179.01 177.00 3gtg n GLU 206 N -4.45 2.19 0.00 1.92 2.13 -1.26 -2.95 120.64 118.22 3gtg n GLU 206 Ca 0.05 -2.44 0.00 0.00 0.66 0.00 0.00 57.16 55.44 3gtg n GLU 206 Cb 0.05 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.80 3gtg n GLU 206 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3gtg n ILE 207 N -0.44 0.00 -0.08 6.31 2.08 -0.73 -4.70 119.36 121.81 3gtg n ILE 207 Ca 0.47 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.64 3gtg n ILE 207 Cb 0.82 -0.24 -0.05 0.00 -0.75 0.00 0.00 39.64 39.41 3gtg n ILE 207 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 3gtg h LEU 208 N 0.00 0.70 -2.14 1.39 -0.00 -1.57 0.41 115.31 114.10 3gtg h LEU 208 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 3gtg h LEU 208 Cb 0.47 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3gtg h LEU 208 CO 0.00 1.06 0.00 -1.13 -0.00 0.00 0.00 178.44 178.38 3gtg h ASN 209 N 0.35 0.00 1.08 0.17 -1.24 -1.81 0.64 115.58 114.77 3gtg h ASN 209 Ca 0.03 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.88 3gtg h ASN 209 Cb 0.90 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 3gtg h ASN 209 CO 0.08 0.00 -0.75 0.40 -1.29 0.00 0.00 177.43 175.86 3gtg h ILE 210 N 0.00 1.36 0.00 2.57 2.04 -1.68 -3.20 117.51 118.59 3gtg h ILE 210 Ca 0.00 -2.74 -0.05 0.00 1.00 0.00 0.00 64.86 63.07 3gtg h ILE 210 Cb 0.01 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3gtg h ILE 210 CO -0.00 0.74 -0.74 -0.26 0.00 0.00 0.00 178.15 177.89 3gtg h PHE 211 N 0.00 0.00 -0.02 1.37 0.04 0.52 -3.36 116.94 115.49 3gtg h PHE 211 Ca -0.01 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 3gtg h PHE 211 Cb 1.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.63 3gtg h PHE 211 CO 0.00 0.20 -0.38 -0.22 -0.60 0.00 0.00 178.31 177.32 3gtg h LYS 212 N 0.00 0.04 -1.00 1.51 3.64 0.22 -3.01 116.57 117.97 3gtg h LYS 212 Ca -0.03 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.69 3gtg h LYS 212 Cb 1.19 -0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.67 3gtg h LYS 212 CO 0.02 0.42 0.32 0.72 -2.27 0.00 0.00 179.45 178.66 3gtg n HIS 213 N -4.08 3.08 -3.39 1.91 8.25 -1.22 -4.98 115.22 114.80 3gtg n HIS 213 Ca -0.02 -2.75 -0.38 0.00 -0.26 0.00 0.00 57.72 54.32 3gtg n HIS 213 Cb 0.42 -1.05 -0.06 0.00 1.12 0.00 0.00 29.99 30.41 3gtg n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtg s ILE 214 N -4.80 5.17 0.53 1.59 -1.09 -1.14 -4.58 121.20 116.89 3gtg s ILE 214 Ca 0.59 0.87 -0.21 0.00 -2.23 0.00 0.00 60.65 59.67 3gtg s ILE 214 Cb 0.47 -3.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.52 3gtg s ILE 214 CO -0.03 0.39 1.08 -0.24 -1.23 0.00 0.00 174.94 174.92 3gtg n SER 215 N 3.27 1.44 -0.16 3.58 2.88 -1.26 -4.91 113.62 118.46 3gtg n SER 215 Ca -0.09 0.92 -0.07 0.00 -1.33 0.00 0.00 58.87 58.30 3gtg n SER 215 Cb 0.52 -1.43 0.09 0.00 -0.75 0.00 0.00 64.21 62.64 3gtg n SER 215 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3gtg h VAL 216 N 1.07 1.26 0.00 2.46 2.07 -2.00 -1.82 116.25 119.29 3gtg h VAL 216 Ca -0.48 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3gtg h VAL 216 Cb 1.34 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3gtg h VAL 216 CO 0.54 0.39 0.00 0.11 0.02 0.00 0.00 177.57 178.63 3gtg h LYS 217 N 0.86 0.00 -0.19 1.57 1.57 -2.01 -3.23 116.57 115.15 3gtg h LYS 217 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3gtg h LYS 217 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3gtg h LYS 217 CO 0.03 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.66 3gtg n ASP 218 N -2.90 0.19 -0.09 0.86 9.92 -0.68 -3.43 116.55 120.41 3gtg n ASP 218 Ca 0.02 -1.77 -0.10 0.00 -0.53 0.00 0.00 54.79 52.41 3gtg n ASP 218 Cb 0.37 -0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 3gtg n ASP 218 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3gtg n PHE 219 N -0.38 0.13 -0.35 1.24 0.99 -1.22 -4.49 117.46 113.39 3gtg n PHE 219 Ca 0.00 0.06 0.23 0.00 -0.00 0.00 0.00 57.45 57.74 3gtg n PHE 219 Cb 0.05 -0.58 0.48 0.00 -1.00 0.00 0.00 39.48 38.43 3gtg n PHE 219 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3gtg h THR 220 N -1.00 0.37 -0.17 4.37 2.02 -1.78 0.33 112.91 117.05 3gtg h THR 220 Ca -0.05 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3gtg h THR 220 Cb 0.98 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3gtg h THR 220 CO -0.03 0.07 -0.05 0.77 0.37 0.00 0.00 175.52 176.64 3gtg h SER 221 N 0.37 -0.19 -0.88 4.18 4.64 -1.83 -3.24 113.55 116.61 3gtg h SER 221 Ca 0.70 0.06 -0.58 0.00 -0.47 0.00 0.00 61.79 61.50 3gtg h SER 221 Cb 1.63 0.12 -0.26 0.00 -0.31 0.00 0.00 62.40 63.58 3gtg h SER 221 CO -0.51 -0.07 0.75 0.00 -0.87 0.00 0.00 176.83 176.13 3gtg n LEU 222 N -5.20 7.27 -2.25 5.97 -0.00 0.11 -4.14 117.00 118.77 3gtg n LEU 222 Ca -0.03 -3.96 -0.15 0.00 -0.00 0.00 0.00 56.01 51.87 3gtg n LEU 222 Cb 0.12 -0.97 0.04 0.00 -0.00 0.00 0.00 43.42 42.61 3gtg n LEU 222 CO 0.25 1.35 0.09 0.61 -0.00 0.00 0.00 177.39 179.69 3gtg n GLY 223 N -0.68 -0.02 0.00 1.47 0.00 -1.20 -4.80 105.19 99.96 3gtg n GLY 223 Ca 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3gtg n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtg n PHE 224 N -4.06 -0.03 -2.23 1.61 3.01 -1.19 -4.13 117.46 110.42 3gtg n PHE 224 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3gtg n PHE 224 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 3gtg n PHE 224 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3gtg n ASN 225 N -0.19 0.00 0.08 4.37 2.85 -1.23 -4.59 115.26 116.54 3gtg n ASN 225 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3gtg n ASN 225 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3gtg n ASN 225 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3gtg n GLU 226 N 0.00 0.00 0.04 1.20 0.00 -1.16 -4.61 120.64 116.11 3gtg n GLU 226 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 3gtg n GLU 226 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 31.44 31.12 3gtg n GLU 226 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3gtg n VAL 227 N -3.42 0.25 -0.08 6.31 0.24 -1.26 -4.60 118.33 115.78 3gtg n VAL 227 Ca 0.00 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.84 3gtg n VAL 227 Cb 0.00 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.37 3gtg n VAL 227 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3gtg n PHE 228 N -2.23 0.40 -4.77 6.34 3.72 -1.26 -4.97 117.46 114.69 3gtg n PHE 228 Ca -0.00 0.17 -0.33 0.00 -0.05 0.00 0.00 57.45 57.24 3gtg n PHE 228 Cb 0.50 -0.60 -0.13 0.00 -0.94 0.00 0.00 39.48 38.31 3gtg n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gtg s SER 229 N -5.73 4.22 -0.17 4.37 0.01 -1.26 -1.56 113.70 113.58 3gtg s SER 229 Ca -0.22 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 56.75 3gtg s SER 229 Cb 0.03 -1.17 0.06 0.00 0.21 0.00 0.00 66.02 65.15 3gtg s SER 229 CO 0.32 0.29 0.43 -0.60 0.41 0.00 0.00 173.24 174.09 3gtg s ARG 230 N -0.41 0.44 0.61 12.44 3.52 -1.26 -2.99 118.95 131.29 3gtg s ARG 230 Ca 0.05 0.77 0.38 0.00 -0.13 0.00 0.00 55.73 56.80 3gtg s ARG 230 Cb -0.12 0.05 1.99 0.00 -1.56 0.00 0.00 34.95 35.31 3gtg s ARG 230 CO 0.02 -0.14 2.23 -1.35 -0.81 0.00 0.00 175.30 175.26 3gtg h PRO 231 N 6.74 0.00 0.00 5.12 0.11 -1.93 0.27 132.00 142.30 3gtg h PRO 231 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3gtg h PRO 231 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gtg h PRO 231 CO 0.27 0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.23 3gtg n GLU 232 N -3.26 0.05 0.00 1.05 0.00 -1.26 -0.89 120.64 116.33 3gtg n GLU 232 Ca -0.02 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.35 3gtg n GLU 232 Cb 0.15 -1.57 0.36 0.00 0.00 0.00 0.00 31.44 30.39 3gtg n GLU 232 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3gtg n TRP 233 N -1.66 0.00 0.25 -1.84 8.01 0.92 -3.87 117.44 119.25 3gtg n TRP 233 Ca 0.06 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.40 3gtg n TRP 233 Cb 0.33 -0.08 0.49 0.00 -2.01 0.00 0.00 31.31 30.04 3gtg n TRP 233 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.69 178.66 3gtg h MET 234 N 1.74 0.00 -6.38 -0.99 4.05 -0.89 -3.44 114.93 109.03 3gtg h MET 234 Ca 0.00 0.00 -0.68 0.00 -0.28 0.00 0.00 59.70 58.74 3gtg h MET 234 Cb 0.55 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 31.14 3gtg h MET 234 CO 0.00 0.03 -0.76 0.96 0.23 0.00 0.00 176.91 177.38 3gtg s ILE 235 N -3.51 3.19 -0.39 1.77 -5.25 -1.25 -4.35 121.20 111.42 3gtg s ILE 235 Ca 0.03 -0.86 -0.23 0.00 -0.99 0.00 0.00 60.65 58.60 3gtg s ILE 235 Cb 0.08 -2.32 0.01 0.00 2.95 0.00 0.00 42.46 43.18 3gtg s ILE 235 CO 0.60 0.46 0.79 -0.76 -1.79 0.00 0.00 174.94 174.24 3gtg s LEU 236 N -1.15 4.15 0.00 0.37 1.43 0.43 -4.89 118.68 119.02 3gtg s LEU 236 Ca 0.14 0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 3gtg s LEU 236 Cb -0.11 -3.03 -0.24 0.00 0.03 0.00 0.00 46.19 42.85 3gtg s LEU 236 CO 0.04 -0.79 0.84 0.74 0.23 0.00 0.00 176.35 177.41 3gtg h THR 237 N 5.82 1.12 -2.56 5.49 2.02 -1.90 -2.74 112.91 120.17 3gtg h THR 237 Ca -0.25 -2.88 -0.10 0.00 0.77 0.00 0.00 66.41 63.95 3gtg h THR 237 Cb 1.09 2.61 -0.25 0.00 -1.74 0.00 0.00 68.15 69.86 3gtg h THR 237 CO 0.93 0.71 -0.22 0.00 0.37 0.00 0.00 175.52 177.31 3gtg s LEU 239 N 1.07 4.47 0.07 0.00 1.98 -1.06 -4.86 118.68 120.35 3gtg s LEU 239 Ca -0.07 1.59 -0.30 0.00 -2.89 0.00 0.00 54.13 52.46 3gtg s LEU 239 Cb -0.06 -3.38 -0.05 0.00 0.66 0.00 0.00 46.19 43.36 3gtg s LEU 239 CO -0.09 -0.01 1.04 -2.16 -1.89 0.00 0.00 176.35 173.23 3gtg s PRO 240 N -0.05 4.57 -0.24 0.98 0.04 -1.26 0.32 135.00 139.36 3gtg s PRO 240 Ca 0.42 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 3gtg s PRO 240 Cb -0.22 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 3gtg s PRO 240 CO 0.26 -0.01 0.36 0.08 0.04 0.00 0.00 177.00 177.73 3gtg s VAL 241 N 0.60 5.20 0.29 -0.36 1.01 0.44 -4.89 120.40 122.69 3gtg s VAL 241 Ca 0.52 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 3gtg s VAL 241 Cb -0.25 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3gtg s VAL 241 CO 0.30 0.21 1.32 -2.16 0.00 0.00 0.00 175.10 174.76 3gtg s PRO 242 N 1.71 4.37 0.56 2.72 0.04 -1.26 -2.19 135.00 140.94 3gtg s PRO 242 Ca 0.16 2.17 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 3gtg s PRO 242 Cb -0.15 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3gtg s PRO 242 CO 0.09 -0.21 1.04 -2.14 0.04 0.00 0.00 177.00 175.82 3gtg s PRO 243 N -1.21 3.52 0.06 0.56 0.02 -1.26 -4.90 135.00 131.78 3gtg s PRO 243 Ca 0.52 1.19 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 3gtg s PRO 243 Cb -0.39 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 3gtg s PRO 243 CO 0.48 -0.64 0.64 -2.30 -0.33 0.00 0.00 177.00 174.85 3gtg n PRO 244 N -1.74 -0.16 0.25 5.54 -0.01 -1.26 -0.41 135.00 137.21 3gtg n PRO 244 Ca 0.08 0.63 0.11 0.00 -0.01 0.00 0.00 63.50 64.32 3gtg n PRO 244 Cb 0.53 -0.93 0.45 0.00 -0.01 0.00 0.00 33.50 33.53 3gtg n PRO 244 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 3gtg h PRO 245 N 0.00 0.00 -0.18 0.52 0.11 -1.92 0.97 132.00 131.49 3gtg h PRO 245 Ca 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3gtg h PRO 245 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3gtg h PRO 245 CO -0.34 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 177.69 3gtg h VAL 246 N 0.00 1.29 -2.09 3.15 2.07 -1.08 -3.40 116.25 116.18 3gtg h VAL 246 Ca 0.07 -1.02 -0.57 0.00 0.82 0.00 0.00 66.70 66.00 3gtg h VAL 246 Cb 1.48 1.59 -0.40 0.00 -1.52 0.00 0.00 31.29 32.43 3gtg h VAL 246 CO -0.00 0.31 -0.89 -2.11 0.02 0.00 0.00 177.57 174.89 3gtg n ARG 247 N -4.64 1.62 -0.61 1.57 1.85 0.33 -5.10 116.66 111.69 3gtg n ARG 247 Ca -0.05 -3.91 -0.31 0.00 -1.00 0.00 0.00 57.85 52.59 3gtg n ARG 247 Cb 0.27 -1.74 0.19 0.00 -1.05 0.00 0.00 32.46 30.14 3gtg n ARG 247 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3gtg n PRO 248 N 0.91 -1.98 0.00 2.89 -0.02 -1.07 -4.38 135.00 131.35 3gtg n PRO 248 Ca 0.26 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 3gtg n PRO 248 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3gtg n PRO 248 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtg n SER 249 N -2.39 0.29 -2.54 2.55 3.41 -1.26 -2.79 113.62 110.89 3gtg n SER 249 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.59 3gtg n SER 249 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3gtg n SER 249 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3gtg n ILE 250 N 0.00 -9.77 -3.31 -1.33 5.41 -0.90 -4.95 119.36 104.51 3gtg n ILE 250 Ca 0.00 1.09 -0.26 0.00 1.00 0.00 0.00 62.75 64.58 3gtg n ILE 250 Cb 0.00 -6.55 -0.07 0.00 -0.71 0.00 0.00 39.64 32.30 3gtg n ILE 250 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3gtg n SER 251 N 0.08 3.39 -0.02 4.38 3.41 -1.25 -4.98 113.62 118.63 3gtg n SER 251 Ca 0.05 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 3gtg n SER 251 Cb 0.20 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3gtg n SER 251 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gtg n PHE 252 N 0.73 0.00 -3.78 7.33 -0.00 -1.26 -4.68 117.46 115.79 3gtg n PHE 252 Ca 0.29 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.52 3gtg n PHE 252 Cb 0.43 -1.02 -0.05 0.00 -0.00 0.00 0.00 39.48 38.84 3gtg n PHE 252 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3gtg s ASN 253 N -0.63 4.81 0.00 -2.13 -0.87 -1.26 -2.85 114.94 112.01 3gtg s ASN 253 Ca 0.00 -0.87 -0.01 0.00 -1.57 0.00 0.00 52.86 50.41 3gtg s ASN 253 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.25 40.62 3gtg s ASN 253 CO 0.00 -0.60 2.33 -0.62 -2.57 0.00 0.00 177.10 175.63 3gtg n GLU 254 N -1.42 1.20 -1.86 -0.60 -0.58 -1.26 -5.00 120.64 111.12 3gtg n GLU 254 Ca 0.02 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 3gtg n GLU 254 Cb 0.63 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 3gtg n GLU 254 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3gtg n SER 255 N 1.76 -9.14 -3.78 1.62 3.41 -1.13 -4.87 113.62 101.48 3gtg n SER 255 Ca 0.10 1.32 -0.23 0.00 -0.26 0.00 0.00 58.87 59.80 3gtg n SER 255 Cb 0.58 -4.90 0.02 0.00 -0.26 0.00 0.00 64.21 59.65 3gtg n SER 255 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3gtg n GLN 256 N 0.82 -4.44 -0.31 4.33 -0.06 -1.26 -5.05 117.38 111.41 3gtg n GLN 256 Ca 0.00 0.55 0.28 0.00 -2.00 0.00 0.00 57.00 55.83 3gtg n GLN 256 Cb 0.00 -4.99 0.48 0.00 -4.06 0.00 0.00 30.24 21.67 3gtg n GLN 256 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3gtg n ARG 257 N -4.32 -0.03 -2.97 3.69 3.00 -1.26 -4.28 116.66 110.49 3gtg n ARG 257 Ca -0.30 0.97 -0.05 0.00 -0.01 0.00 0.00 57.85 58.45 3gtg n ARG 257 Cb 0.68 -1.84 0.01 0.00 0.00 0.00 0.00 32.46 31.31 3gtg n ARG 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gtg n GLY 258 N -1.31 -1.26 3.55 -0.13 0.00 -1.26 -3.65 105.19 101.13 3gtg n GLY 258 Ca 0.29 0.91 -0.34 0.00 0.00 0.00 0.00 46.02 46.89 3gtg n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtg s GLU 259 N -2.81 2.68 0.42 1.61 0.41 -1.26 -2.12 118.70 117.63 3gtg s GLU 259 Ca 0.14 -0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 53.86 3gtg s GLU 259 Cb -0.04 -2.53 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 3gtg s GLU 259 CO 0.76 0.65 1.20 -0.51 -0.49 0.00 0.00 175.26 176.88 3gtg s ASP 260 N -0.79 6.36 0.30 -0.19 1.11 -1.12 -4.93 116.67 117.41 3gtg s ASP 260 Ca 0.12 2.42 0.03 0.00 0.18 0.00 0.00 52.55 55.30 3gtg s ASP 260 Cb -0.11 -2.62 0.76 0.00 1.07 0.00 0.00 42.92 42.02 3gtg s ASP 260 CO 0.01 -0.80 1.61 0.44 1.18 0.00 0.00 175.17 177.61 3gtg h ASP 261 N 2.49 -0.21 -1.01 0.27 3.32 -1.94 0.26 116.42 119.61 3gtg h ASP 261 Ca -0.49 0.24 0.23 0.00 0.02 0.00 0.00 57.03 57.02 3gtg h ASP 261 Cb 1.24 0.37 -0.11 0.00 0.22 0.00 0.00 39.33 41.05 3gtg h ASP 261 CO 0.62 -0.27 0.61 -0.07 -1.72 0.00 0.00 179.24 178.41 3gtg h LEU 262 N 0.09 0.68 -1.47 1.55 3.38 -1.91 0.18 115.31 117.81 3gtg h LEU 262 Ca 0.59 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3gtg h LEU 262 Cb 1.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3gtg h LEU 262 CO -0.78 0.17 0.00 0.74 0.09 0.00 0.00 178.44 178.66 3gtg h THR 263 N 0.62 0.00 0.18 0.22 2.02 -0.78 -3.20 112.91 111.97 3gtg h THR 263 Ca 0.61 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 3gtg h THR 263 Cb 1.14 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3gtg h THR 263 CO -0.41 0.00 -0.09 -0.26 0.37 0.00 0.00 175.52 175.13 3gtg h PHE 264 N 0.00 -0.22 0.00 3.16 0.04 -0.71 -3.32 116.94 115.89 3gtg h PHE 264 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3gtg h PHE 264 Cb 0.29 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 3gtg h PHE 264 CO 0.00 -0.14 -0.03 0.87 -0.60 0.00 0.00 178.31 178.41 3gtg h LYS 265 N -0.88 0.00 -0.64 1.51 1.57 -1.63 0.13 116.57 116.62 3gtg h LYS 265 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3gtg h LYS 265 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3gtg h LYS 265 CO 0.04 0.03 0.42 -0.07 -0.57 0.00 0.00 179.45 179.31 3gtg h LEU 266 N 0.00 0.60 0.00 2.94 -0.00 -1.68 0.73 115.31 117.90 3gtg h LEU 266 Ca -0.00 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 3gtg h LEU 266 Cb 0.11 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 3gtg h LEU 266 CO 0.00 0.40 -1.05 0.00 -0.00 0.00 0.00 178.44 177.80 3gtg h ALA 267 N 1.64 0.64 0.06 1.53 0.00 -0.88 -1.55 119.26 120.70 3gtg h ALA 267 Ca 0.27 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gtg h ALA 267 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gtg h ALA 267 CO -0.08 0.86 -0.03 -0.44 0.00 0.00 0.00 179.25 179.56 3gtg h ASP 268 N 0.00 -0.07 -0.00 0.00 3.32 -0.50 0.53 116.42 119.70 3gtg h ASP 268 Ca -0.09 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.75 3gtg h ASP 268 Cb 1.54 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 41.06 3gtg h ASP 268 CO 0.06 0.20 -0.44 0.40 -1.72 0.00 0.00 179.24 177.74 3gtg h ILE 269 N -0.34 0.13 -0.66 0.35 2.04 0.35 0.12 117.51 119.49 3gtg h ILE 269 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3gtg h ILE 269 Cb 0.30 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3gtg h ILE 269 CO 0.01 0.00 0.35 0.25 0.00 0.00 0.00 178.15 178.76 3gtg h LEU 270 N -0.59 0.81 -0.62 1.44 6.46 -1.11 0.53 115.31 122.23 3gtg h LEU 270 Ca 0.04 -0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.59 3gtg h LEU 270 Cb 0.67 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3gtg h LEU 270 CO -0.32 0.66 -0.65 0.50 -0.62 0.00 0.00 178.44 178.01 3gtg h LYS 271 N 0.91 0.18 -0.00 1.25 3.64 0.25 0.21 116.57 123.01 3gtg h LYS 271 Ca 0.23 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3gtg h LYS 271 Cb 0.04 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3gtg h LYS 271 CO -0.04 0.76 -0.21 0.00 -2.27 0.00 0.00 179.45 177.70 3gtg n ALA 272 N -2.46 2.87 1.00 5.00 0.00 0.01 -2.17 120.51 124.76 3gtg n ALA 272 Ca -0.02 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.29 3gtg n ALA 272 Cb 0.64 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3gtg n ALA 272 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gtg n ASN 273 N -1.38 0.88 0.15 0.00 2.85 0.18 -3.38 115.26 114.57 3gtg n ASN 273 Ca 0.08 -0.83 0.07 0.00 -0.11 0.00 0.00 54.58 53.80 3gtg n ASN 273 Cb 0.32 0.83 0.06 0.00 1.24 0.00 0.00 39.78 42.24 3gtg n ASN 273 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3gtg h ILE 274 N 0.00 0.35 -0.95 -1.44 2.04 -0.75 -3.34 117.51 113.43 3gtg h ILE 274 Ca 0.00 -1.53 0.16 0.00 1.00 0.00 0.00 64.86 64.49 3gtg h ILE 274 Cb 0.50 2.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.55 3gtg h ILE 274 CO 0.00 0.20 0.55 -1.28 0.00 0.00 0.00 178.15 177.62 3gtg h SER 275 N 0.00 0.71 0.81 1.72 0.87 -1.44 -3.07 113.55 113.15 3gtg h SER 275 Ca -0.02 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gtg h SER 275 Cb 1.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3gtg h SER 275 CO 0.03 0.29 -0.77 -0.07 -0.53 0.00 0.00 176.83 175.78 3gtg h LEU 276 N 0.75 0.00 -0.46 2.23 4.07 -1.72 -3.36 115.31 116.83 3gtg h LEU 276 Ca 0.53 -0.20 -0.17 0.00 0.08 0.00 0.00 57.88 58.11 3gtg h LEU 276 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 3gtg h LEU 276 CO -0.36 0.10 -0.70 -0.33 -1.08 0.00 0.00 178.44 176.07 3gtg h GLU 277 N 0.00 0.36 0.00 1.13 5.08 -1.68 -3.28 114.58 116.20 3gtg h GLU 277 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3gtg h GLU 277 Cb 0.79 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3gtg h GLU 277 CO 0.00 0.92 -0.39 2.41 -1.00 0.00 0.00 179.01 180.95 3gtg n THR 278 N -3.84 0.13 -0.70 1.13 -1.04 -1.24 -3.66 114.28 105.06 3gtg n THR 278 Ca -0.04 -0.09 0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3gtg n THR 278 Cb 0.69 -0.06 0.28 0.00 -1.82 0.00 0.00 70.33 69.42 3gtg n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3gtg n LEU 279 N -1.70 4.13 0.00 -4.42 4.77 -1.23 -0.33 117.00 118.20 3gtg n LEU 279 Ca 0.05 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3gtg n LEU 279 Cb 0.37 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3gtg n LEU 279 CO 0.33 0.72 -0.23 -0.62 -1.33 0.00 0.00 177.39 176.26 3gtg n GLU 280 N 0.30 1.28 -0.09 3.23 1.02 -1.22 -4.39 120.64 120.76 3gtg n GLU 280 Ca 0.21 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 3gtg n GLU 280 Cb 0.82 -0.73 -0.13 0.00 -0.02 0.00 0.00 31.44 31.38 3gtg n GLU 280 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gtg n HIS 281 N -1.43 0.29 0.00 -0.32 8.25 -1.24 -4.89 115.22 115.88 3gtg n HIS 281 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3gtg n HIS 281 Cb 0.23 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.30 3gtg n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtg n ASN 282 N -3.21 0.00 -4.83 0.41 3.02 -1.22 -5.03 115.26 104.40 3gtg n ASN 282 Ca -0.40 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 53.87 3gtg n ASN 282 Cb 1.03 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 40.11 3gtg n ASN 282 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gtg s GLY 283 N -1.56 1.64 -0.28 7.41 0.00 0.54 -4.97 107.32 110.10 3gtg s GLY 283 Ca 0.00 -0.16 0.21 0.00 0.00 0.00 0.00 44.72 44.76 3gtg s GLY 283 CO 0.00 0.21 1.14 0.00 0.00 0.00 0.00 173.10 174.45 3gtg n ALA 284 N -3.18 2.72 -1.00 3.20 0.00 -1.26 -3.41 120.51 117.58 3gtg n ALA 284 Ca 0.07 -2.56 -0.03 0.00 0.00 0.00 0.00 53.44 50.92 3gtg n ALA 284 Cb 0.56 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 19.16 3gtg n ALA 284 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gtg n PRO 285 N -0.63 -1.43 -0.04 0.00 -0.02 -1.26 -5.08 135.00 126.55 3gtg n PRO 285 Ca 0.04 -0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.25 3gtg n PRO 285 Cb 0.81 -0.24 -0.01 0.00 -0.02 0.00 0.00 33.50 34.05 3gtg n PRO 285 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3gtg n HIS 286 N -2.90 0.26 -2.93 6.00 -0.00 -1.26 -4.74 115.22 109.65 3gtg n HIS 286 Ca 0.02 0.11 -0.08 0.00 0.46 0.00 0.00 57.72 58.24 3gtg n HIS 286 Cb 0.08 -0.39 0.01 0.00 -0.12 0.00 0.00 29.99 29.58 3gtg n HIS 286 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3gtg n HIS 287 N -3.36 -3.10 -3.65 1.57 8.25 -1.26 -4.03 115.22 109.63 3gtg n HIS 287 Ca -0.04 1.32 -0.38 0.00 -0.26 0.00 0.00 57.72 58.35 3gtg n HIS 287 Cb 0.17 -3.33 -0.09 0.00 1.12 0.00 0.00 29.99 27.86 3gtg n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtg s ALA 288 N -1.85 3.61 0.00 -1.41 0.00 -1.26 -5.05 121.76 115.81 3gtg s ALA 288 Ca 0.13 -3.16 0.00 0.00 0.00 0.00 0.00 51.96 48.93 3gtg s ALA 288 Cb -0.03 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3gtg s ALA 288 CO 0.68 -2.09 0.00 -0.89 0.00 0.00 0.00 175.76 173.46 3gtg n ILE 289 N 3.74 0.00 0.23 0.00 5.41 -1.26 -4.51 119.36 122.98 3gtg n ILE 289 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.84 3gtg n ILE 289 Cb 0.40 -0.79 0.11 0.00 -0.71 0.00 0.00 39.64 38.65 3gtg n ILE 289 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gtg n GLU 290 N -2.63 0.11 -0.04 0.38 1.02 -1.26 -0.53 120.64 117.69 3gtg n GLU 290 Ca 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 3gtg n GLU 290 Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 3gtg n GLU 290 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gtg n GLU 291 N -1.01 1.68 0.06 3.49 1.02 -1.26 -4.50 120.64 120.13 3gtg n GLU 291 Ca 0.03 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3gtg n GLU 291 Cb 0.01 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3gtg n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtg h ALA 292 N 0.69 0.51 0.00 0.62 0.00 -1.04 -2.89 119.26 117.15 3gtg h ALA 292 Ca -0.21 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3gtg h ALA 292 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gtg h ALA 292 CO 0.01 0.81 0.00 0.39 0.00 0.00 0.00 179.25 180.46 3gtg n GLU 293 N -3.77 0.09 -0.11 0.00 1.02 -0.68 -1.60 120.64 115.58 3gtg n GLU 293 Ca -0.05 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 3gtg n GLU 293 Cb 0.77 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 3gtg n GLU 293 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gtg n SER 294 N -1.37 1.90 -0.35 1.62 3.41 -1.10 -3.62 113.62 114.11 3gtg n SER 294 Ca 0.04 0.40 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 3gtg n SER 294 Cb 0.10 -0.88 0.18 0.00 -0.26 0.00 0.00 64.21 63.35 3gtg n SER 294 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3gtg h LEU 295 N -1.00 0.93 0.47 1.04 5.85 -1.35 0.22 115.31 121.48 3gtg h LEU 295 Ca -0.43 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3gtg h LEU 295 Cb 1.33 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3gtg h LEU 295 CO -0.26 0.57 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.11 3gtg h LEU 296 N 1.05 -0.54 -1.10 2.25 4.07 -1.52 -0.96 115.31 118.57 3gtg h LEU 296 Ca 0.43 -0.07 0.18 0.00 0.08 0.00 0.00 57.88 58.50 3gtg h LEU 296 Cb 0.25 0.14 -0.09 0.00 1.08 0.00 0.00 40.66 42.04 3gtg h LEU 296 CO -0.20 -0.24 0.61 -0.61 -1.08 0.00 0.00 178.44 176.92 3gtg h GLN 297 N -0.84 0.74 -0.91 1.13 5.75 -1.54 0.76 115.11 120.20 3gtg h GLN 297 Ca -0.06 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3gtg h GLN 297 Cb 0.57 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 3gtg h GLN 297 CO 0.11 0.49 0.59 0.35 -2.65 0.00 0.00 178.83 177.71 3gtg h PHE 298 N 0.76 1.15 -0.01 3.99 3.57 -0.24 0.34 116.94 126.51 3gtg h PHE 298 Ca 0.54 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.93 3gtg h PHE 298 Cb 0.85 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3gtg h PHE 298 CO -0.00 0.74 -0.61 0.45 -2.23 0.00 0.00 178.31 176.66 3gtg h HIS 299 N 1.23 0.05 0.00 0.41 3.86 0.53 -0.79 115.15 120.44 3gtg h HIS 299 Ca 0.33 -0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.34 3gtg h HIS 299 Cb -0.12 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 3gtg h HIS 299 CO 0.00 0.64 -0.87 0.28 0.86 0.00 0.00 177.93 178.84 3gtg h VAL 300 N 0.03 1.61 0.25 2.45 2.07 -0.87 -2.26 116.25 119.54 3gtg h VAL 300 Ca -0.01 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.50 3gtg h VAL 300 Cb 1.08 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3gtg h VAL 300 CO 0.08 0.85 -0.12 0.00 0.02 0.00 0.00 177.57 178.40 3gtg h ALA 301 N 1.13 -0.97 -0.55 1.67 0.00 -0.15 -2.83 119.26 117.56 3gtg h ALA 301 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3gtg h ALA 301 Cb 1.56 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.38 3gtg h ALA 301 CO 0.11 -0.94 -0.11 1.15 0.00 0.00 0.00 179.25 179.46 3gtg h THR 302 N -0.38 0.48 -0.06 0.00 2.02 -1.17 0.13 112.91 113.92 3gtg h THR 302 Ca -0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3gtg h THR 302 Cb 0.26 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3gtg h THR 302 CO 0.06 0.00 -0.03 0.22 0.37 0.00 0.00 175.52 176.14 3gtg h TYR 303 N 0.02 0.09 0.06 3.16 3.20 -1.50 -2.22 116.97 119.78 3gtg h TYR 303 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 3gtg h TYR 303 Cb 0.41 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3gtg h TYR 303 CO -0.43 0.12 -0.03 1.98 -1.64 0.00 0.00 178.16 178.17 3gtg h MET 304 N 0.09 -0.08 -1.99 1.82 4.05 -1.05 -3.19 114.93 114.58 3gtg h MET 304 Ca 0.02 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 3gtg h MET 304 Cb 0.11 0.02 -0.20 0.00 -0.80 0.00 0.00 31.60 30.73 3gtg h MET 304 CO 0.00 0.39 0.17 0.34 0.23 0.00 0.00 176.91 178.05 3gtg s ASP 305 N -5.73 -0.70 -0.41 1.39 2.15 0.37 -1.98 116.67 111.75 3gtg s ASP 305 Ca -0.10 1.05 0.04 0.00 0.43 0.00 0.00 52.55 53.97 3gtg s ASP 305 Cb -0.01 0.96 0.18 0.00 -0.30 0.00 0.00 42.92 43.75 3gtg s ASP 305 CO 0.38 -0.44 0.36 -0.46 -0.17 0.00 0.00 175.17 174.84 3gtg n ASN 306 N 1.73 -0.38 -2.78 -0.34 2.04 -1.24 -3.47 115.26 110.83 3gtg n ASN 306 Ca -0.17 -2.41 -0.10 0.00 -0.44 0.00 0.00 54.58 51.47 3gtg n ASN 306 Cb 0.56 -0.56 0.08 0.00 -2.53 0.00 0.00 39.78 37.33 3gtg n ASN 306 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 3gtg n ASP 307 N 2.72 -1.30 0.00 0.53 2.03 -1.26 -4.79 116.55 114.48 3gtg n ASP 307 Ca 0.29 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.54 3gtg n ASP 307 Cb 0.48 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 3gtg n ASP 307 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3gtg n ILE 308 N -0.03 0.00 -3.07 5.18 -0.00 -1.26 -5.13 119.36 115.05 3gtg n ILE 308 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.41 3gtg n ILE 308 Cb 0.76 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.35 3gtg n ILE 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3gtg s ALA 309 N -2.00 3.39 -0.41 -1.39 0.00 -1.26 -4.43 121.76 115.66 3gtg s ALA 309 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 3gtg s ALA 309 Cb 0.00 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.23 3gtg s ALA 309 CO 0.00 0.03 0.50 0.41 0.00 0.00 0.00 175.76 176.70 3gtg n GLY 310 N 2.68 -1.78 0.28 0.00 0.00 -1.26 -4.82 105.19 100.30 3gtg n GLY 310 Ca -0.03 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.11 3gtg n GLY 310 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gtg n GLN 311 N -0.12 0.00 -3.31 1.61 -0.06 -1.26 -4.83 117.38 109.41 3gtg n GLN 311 Ca 0.09 0.28 -0.46 0.00 -2.00 0.00 0.00 57.00 54.91 3gtg n GLN 311 Cb 0.39 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.55 3gtg n GLN 311 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3gtg s PRO 312 N -3.09 3.77 0.28 3.69 0.04 -1.26 -5.16 135.00 133.27 3gtg s PRO 312 Ca 0.00 -2.64 0.03 0.00 0.04 0.00 0.00 61.00 58.43 3gtg s PRO 312 Cb 0.00 -4.49 0.03 0.00 0.04 0.00 0.00 34.50 30.08 3gtg s PRO 312 CO 0.00 -1.30 0.28 0.00 0.04 0.00 0.00 177.00 176.02 3gtg n GLN 313 N 3.74 0.97 -3.70 4.56 -0.00 -1.26 -4.75 117.38 116.94 3gtg n GLN 313 Ca 0.17 -1.63 -0.27 0.00 -0.00 0.00 0.00 57.00 55.27 3gtg n GLN 313 Cb 0.45 0.05 -0.11 0.00 -0.00 0.00 0.00 30.24 30.63 3gtg n GLN 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gtg n ALA 314 N -2.54 3.33 -1.15 2.61 0.00 -1.26 -4.88 120.51 116.62 3gtg n ALA 314 Ca -0.08 -4.19 -0.36 0.00 0.00 0.00 0.00 53.44 48.81 3gtg n ALA 314 Cb 0.30 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.87 3gtg n ALA 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtg n LEU 315 N 2.00 -1.20 0.00 0.00 7.99 -1.26 -4.19 117.00 120.34 3gtg n LEU 315 Ca 0.23 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.73 3gtg n LEU 315 Cb 0.39 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 3gtg n LEU 315 CO 0.24 -3.95 0.00 0.00 -1.51 0.00 0.00 177.39 172.17 3gtg n GLN 316 N 0.05 0.00 0.05 3.23 1.13 -1.25 -4.94 117.38 115.65 3gtg n GLN 316 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3gtg n GLN 316 Cb 0.51 -0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.79 3gtg n GLN 316 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3gtg n LYS 317 N -1.29 0.00 0.00 -1.09 5.02 -1.26 -4.96 118.16 114.57 3gtg n LYS 317 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3gtg n LYS 317 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 3gtg n LYS 317 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gtg n SER 318 N -3.34 0.00 -4.64 4.39 2.88 -1.26 -5.12 113.62 106.53 3gtg n SER 318 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3gtg n SER 318 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 3gtg n SER 318 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3gtg s GLY 319 N -0.70 1.65 1.19 0.46 0.00 -1.26 -5.00 107.32 103.66 3gtg s GLY 319 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.93 3gtg s GLY 319 CO 0.00 0.86 1.05 0.50 0.00 0.00 0.00 173.10 175.51 3gtg s ARG 320 N -4.64 -1.12 0.37 2.90 1.81 -1.26 -3.76 118.95 113.26 3gtg s ARG 320 Ca 0.67 0.33 -0.14 0.00 -1.72 0.00 0.00 55.73 54.87 3gtg s ARG 320 Cb -0.23 -1.57 -0.11 0.00 -0.45 0.00 0.00 34.95 32.59 3gtg s ARG 320 CO 0.59 -3.73 -0.08 -2.30 -0.68 0.00 0.00 175.30 169.10 3gtg n PRO 321 N -4.84 0.00 0.04 3.54 -0.02 -1.26 -4.47 135.00 127.98 3gtg n PRO 321 Ca 0.08 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3gtg n PRO 321 Cb 0.58 -0.76 0.43 0.00 -0.02 0.00 0.00 33.50 33.73 3gtg n PRO 321 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3gtg n VAL 322 N -1.12 0.70 0.00 -1.45 0.24 -1.26 -4.89 118.33 110.56 3gtg n VAL 322 Ca 0.06 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3gtg n VAL 322 Cb 0.35 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3gtg n VAL 322 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3gtg n LYS 323 N -1.74 0.00 -0.82 7.34 3.00 -1.26 -4.86 118.16 119.82 3gtg n LYS 323 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.42 3gtg n LYS 323 Cb 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 35.03 35.14 3gtg n LYS 323 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gtg n SER 324 N 1.15 -4.44 -0.21 3.14 2.88 -1.26 -3.52 113.62 111.36 3gtg n SER 324 Ca 0.00 0.88 0.03 0.00 -1.33 0.00 0.00 58.87 58.44 3gtg n SER 324 Cb 0.00 -2.66 0.07 0.00 -0.75 0.00 0.00 64.21 60.87 3gtg n SER 324 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3gtg n ILE 325 N -2.98 -0.25 -0.34 2.46 5.41 -1.21 0.10 119.36 122.55 3gtg n ILE 325 Ca -0.04 1.30 0.11 0.00 1.00 0.00 0.00 62.75 65.12 3gtg n ILE 325 Cb 0.35 -1.78 0.29 0.00 -0.71 0.00 0.00 39.64 37.79 3gtg n ILE 325 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3gtg h ARG 326 N 0.00 0.75 -0.00 0.38 1.12 -1.63 -2.00 114.38 113.01 3gtg h ARG 326 Ca 0.26 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 3gtg h ARG 326 Cb 0.40 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 3gtg h ARG 326 CO -0.58 0.50 -0.37 0.00 -3.11 0.00 0.00 179.97 176.42 3gtg n ALA 327 N -2.35 3.23 0.15 2.80 0.00 0.29 -2.42 120.51 122.21 3gtg n ALA 327 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gtg n ALA 327 Cb 0.51 -1.21 0.24 0.00 0.00 0.00 0.00 19.45 18.99 3gtg n ALA 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg h ARG 328 N 0.02 0.00 0.00 0.00 3.08 -1.23 -3.31 114.38 112.94 3gtg h ARG 328 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gtg h ARG 328 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3gtg h ARG 328 CO 0.00 0.53 -1.05 1.28 -1.07 0.00 0.00 179.97 179.66 3gtg n LEU 329 N -3.86 0.61 -4.75 3.04 4.77 -1.02 -1.05 117.00 114.76 3gtg n LEU 329 Ca -0.01 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3gtg n LEU 329 Cb 0.55 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3gtg n LEU 329 CO 0.41 0.06 0.91 -0.75 -1.33 0.00 0.00 177.39 176.69 3gtg s LYS 330 N -3.19 4.46 0.94 3.23 2.20 -1.03 -3.99 119.74 122.37 3gtg s LYS 330 Ca 0.04 1.97 -0.11 0.00 -0.36 0.00 0.00 55.97 57.51 3gtg s LYS 330 Cb 0.15 -3.19 0.16 0.00 -1.51 0.00 0.00 37.83 33.43 3gtg s LYS 330 CO 0.81 -0.10 1.11 0.20 -0.36 0.00 0.00 175.35 177.00 3gtg s GLY 331 N -0.07 1.65 -0.11 5.54 0.00 -1.26 -2.89 107.32 110.18 3gtg s GLY 331 Ca 0.52 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 45.46 3gtg s GLY 331 CO 0.40 0.78 0.16 1.17 0.00 0.00 0.00 173.10 175.61 3gtg n LYS 332 N -4.22 -4.62 -0.77 2.90 0.00 -1.26 -4.45 118.16 105.74 3gtg n LYS 332 Ca 0.09 3.43 0.00 0.00 0.00 0.00 0.00 58.31 61.83 3gtg n LYS 332 Cb 0.53 -4.72 0.00 0.00 0.00 0.00 0.00 35.03 30.84 3gtg n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3gtg n GLU 333 N 1.81 0.00 -4.11 1.64 -0.58 -1.26 -4.98 120.64 113.16 3gtg n GLU 333 Ca -0.27 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.25 3gtg n GLU 333 Cb 0.41 -2.64 -0.04 0.00 -0.57 0.00 0.00 31.44 28.60 3gtg n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3gtg s GLY 334 N -2.00 1.41 0.32 0.62 0.00 -1.14 -4.92 107.32 101.62 3gtg s GLY 334 Ca 0.00 -1.42 0.19 0.00 0.00 0.00 0.00 44.72 43.48 3gtg s GLY 334 CO 0.00 -1.46 1.38 -2.13 0.00 0.00 0.00 173.10 170.88 3gtg n ARG 335 N -1.18 -0.05 -0.09 2.90 3.00 -0.21 -1.48 116.66 119.54 3gtg n ARG 335 Ca -0.08 1.20 -0.17 0.00 -0.00 0.00 0.00 57.85 58.80 3gtg n ARG 335 Cb 0.58 -2.16 -0.10 0.00 0.00 0.00 0.00 32.46 30.78 3gtg n ARG 335 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3gtg h ILE 336 N 0.00 0.87 -0.00 5.15 2.04 -1.85 -2.83 117.51 120.89 3gtg h ILE 336 Ca 0.74 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3gtg h ILE 336 Cb 1.98 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 3gtg h ILE 336 CO -0.66 0.30 -0.03 -1.14 0.00 0.00 0.00 178.15 176.62 3gtg n ARG 337 N -4.51 0.75 0.00 2.37 0.63 -1.15 -1.48 116.66 113.26 3gtg n ARG 337 Ca -0.23 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 3gtg n ARG 337 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 3gtg n ARG 337 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtg n GLY 338 N 1.19 0.75 0.00 5.14 0.00 -0.55 -4.43 105.19 107.28 3gtg n GLY 338 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3gtg n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtg n ASN 339 N -0.45 0.87 0.10 1.61 3.02 -1.08 -4.55 115.26 114.79 3gtg n ASN 339 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3gtg n ASN 339 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3gtg n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gtg n LEU 340 N -0.16 -0.13 0.22 3.41 4.77 -1.18 -4.81 117.00 119.12 3gtg n LEU 340 Ca 0.00 0.35 0.18 0.00 -0.03 0.00 0.00 56.01 56.51 3gtg n LEU 340 Cb 0.26 0.30 0.86 0.00 -2.33 0.00 0.00 43.42 42.50 3gtg n LEU 340 CO 0.00 -0.70 1.15 0.24 -1.33 0.00 0.00 177.39 176.75 3gtg h MET 341 N 0.00 0.00 -0.83 3.23 2.86 -1.53 -3.41 114.93 115.25 3gtg h MET 341 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3gtg h MET 341 Cb 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 31.45 3gtg h MET 341 CO 0.00 0.00 -0.18 0.20 1.06 0.00 0.00 176.91 177.99 3gtg s GLY 342 N -3.96 -0.88 0.37 8.32 0.00 -1.26 -5.00 107.32 104.91 3gtg s GLY 342 Ca -0.04 1.98 0.07 0.00 0.00 0.00 0.00 44.72 46.73 3gtg s GLY 342 CO 0.48 3.53 0.44 0.54 0.00 0.00 0.00 173.10 178.09 3gtg s LYS 343 N 2.88 2.87 0.50 2.90 1.02 -1.26 -3.80 119.74 124.84 3gtg s LYS 343 Ca 0.15 -1.21 -0.19 0.00 0.02 0.00 0.00 55.97 54.74 3gtg s LYS 343 Cb -0.13 -2.66 -0.08 0.00 -0.52 0.00 0.00 37.83 34.44 3gtg s LYS 343 CO -0.19 -0.04 1.02 1.03 -0.92 0.00 0.00 175.35 176.25 3gtg s ARG 344 N -4.16 3.79 0.13 1.68 0.52 -1.26 -5.08 118.95 114.56 3gtg s ARG 344 Ca 0.47 1.25 -0.16 0.00 -0.52 0.00 0.00 55.73 56.77 3gtg s ARG 344 Cb -0.08 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.33 3gtg s ARG 344 CO 0.30 -0.42 0.41 0.14 0.02 0.00 0.00 175.30 175.75 3gtg s VAL 345 N -2.16 0.06 0.87 3.52 -7.23 -1.26 -5.17 120.40 109.04 3gtg s VAL 345 Ca 0.65 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 3gtg s VAL 345 Cb -0.14 -1.17 0.16 0.00 0.56 0.00 0.00 36.38 35.79 3gtg s VAL 345 CO 0.23 -0.29 1.21 -1.81 -0.31 0.00 0.00 175.10 174.12 3gtg s ASP 346 N -2.80 3.65 -0.88 4.85 -0.00 -1.26 -4.53 116.67 115.70 3gtg s ASP 346 Ca 0.03 0.16 -0.06 0.00 -0.00 0.00 0.00 52.55 52.68 3gtg s ASP 346 Cb 0.02 -0.36 0.00 0.00 -0.00 0.00 0.00 42.92 42.58 3gtg s ASP 346 CO -0.12 -2.37 0.67 0.49 -0.00 0.00 0.00 175.17 173.84 3gtg n PHE 347 N -3.44 -2.26 -3.80 4.23 3.01 -1.26 -4.81 117.46 109.13 3gtg n PHE 347 Ca 0.14 0.82 -0.10 0.00 1.01 0.00 0.00 57.45 59.32 3gtg n PHE 347 Cb 0.60 -3.29 -0.06 0.00 -0.01 0.00 0.00 39.48 36.72 3gtg n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gtg s SER 348 N -3.11 -0.04 0.33 4.37 1.04 -1.26 -2.26 113.70 112.78 3gtg s SER 348 Ca 0.11 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 3gtg s SER 348 Cb -0.05 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3gtg s SER 348 CO 0.85 -0.83 0.48 0.00 0.98 0.00 0.00 173.24 174.71 3gtg n ALA 349 N -0.17 -0.39 -3.60 5.32 0.00 -0.84 -5.01 120.51 115.82 3gtg n ALA 349 Ca -0.13 -1.51 -0.09 0.00 0.00 0.00 0.00 53.44 51.71 3gtg n ALA 349 Cb 0.63 1.22 -0.06 0.00 0.00 0.00 0.00 19.45 21.24 3gtg n ALA 349 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gtg s ARG 350 N -2.72 0.49 0.00 0.00 3.52 -1.26 -3.50 118.95 115.49 3gtg s ARG 350 Ca 0.27 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3gtg s ARG 350 Cb -0.01 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3gtg s ARG 350 CO 0.19 -0.13 0.00 -2.37 -0.81 0.00 0.00 175.30 172.18 3gtg n THR 351 N 1.09 0.00 -1.40 4.11 5.66 -1.16 -4.98 114.28 117.59 3gtg n THR 351 Ca -0.10 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.55 3gtg n THR 351 Cb 0.57 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.44 3gtg n THR 351 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3gtg n VAL 352 N -0.25 3.17 -4.78 1.08 0.31 -1.26 -2.54 118.33 114.06 3gtg n VAL 352 Ca 0.00 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.66 3gtg n VAL 352 Cb 0.00 -1.21 -0.14 0.00 -0.91 0.00 0.00 33.84 31.58 3gtg n VAL 352 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3gtg s ILE 353 N -1.77 2.22 -0.01 2.52 -4.36 -1.00 -2.24 121.20 116.55 3gtg s ILE 353 Ca 0.76 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 3gtg s ILE 353 Cb -0.34 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.48 3gtg s ILE 353 CO 0.48 0.31 -0.01 -0.94 0.24 0.00 0.00 174.94 175.02 3gtg s SER 354 N -1.43 0.17 -0.09 4.36 1.04 -0.34 -4.64 113.70 112.77 3gtg s SER 354 Ca 0.12 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 3gtg s SER 354 Cb -0.10 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 3gtg s SER 354 CO 0.03 -0.01 0.38 -0.83 0.98 0.00 0.00 173.24 173.79 3gtg s GLY 355 N 0.17 2.35 -0.33 7.32 0.00 -1.26 -2.46 107.32 113.11 3gtg s GLY 355 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3gtg s GLY 355 CO -0.00 0.39 0.05 -0.35 0.00 0.00 0.00 173.10 173.19 3gtg s ASP 356 N -0.09 4.87 0.57 1.64 -1.08 -0.80 -4.91 116.67 116.88 3gtg s ASP 356 Ca 0.22 -1.75 0.28 0.00 -0.52 0.00 0.00 52.55 50.78 3gtg s ASP 356 Cb -0.15 -1.69 1.50 0.00 -1.46 0.00 0.00 42.92 41.12 3gtg s ASP 356 CO 0.09 -0.36 1.95 1.55 0.52 0.00 0.00 175.17 178.93 3gtg h PRO 357 N 7.86 0.00 -0.44 4.34 0.13 -1.97 0.93 132.00 142.84 3gtg h PRO 357 Ca -0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.86 3gtg h PRO 357 Cb 1.04 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.09 3gtg h PRO 357 CO 0.56 0.00 0.08 0.09 -0.23 0.00 0.00 178.00 178.49 3gtg n ASN 358 N -3.90 3.69 -4.97 1.44 3.02 -1.26 -4.55 115.26 108.73 3gtg n ASN 358 Ca 0.08 -3.33 -0.21 0.00 -0.03 0.00 0.00 54.58 51.10 3gtg n ASN 358 Cb 0.61 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3gtg n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gtg s LEU 359 N -3.02 4.12 0.28 3.41 1.43 0.32 -5.12 118.68 120.09 3gtg s LEU 359 Ca 0.47 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3gtg s LEU 359 Cb 0.39 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3gtg s LEU 359 CO 0.07 -0.26 0.50 -1.61 0.23 0.00 0.00 176.35 175.28 3gtg s GLU 360 N -4.12 3.56 0.06 1.70 0.41 -1.26 -4.88 118.70 114.18 3gtg s GLU 360 Ca 0.39 -0.18 -0.28 0.00 -0.41 0.00 0.00 54.97 54.50 3gtg s GLU 360 Cb -0.09 -2.71 -0.14 0.00 -1.78 0.00 0.00 34.13 29.41 3gtg s GLU 360 CO 0.31 0.25 1.43 1.25 -0.49 0.00 0.00 175.26 178.01 3gtg h LEU 361 N 1.55 -1.04 0.00 1.80 5.85 -1.98 -2.10 115.31 119.40 3gtg h LEU 361 Ca -0.48 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3gtg h LEU 361 Cb 1.20 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3gtg h LEU 361 CO 0.66 -0.55 0.00 -0.90 -0.34 0.00 0.00 178.44 177.31 3gtg n ASP 362 N -4.80 0.00 -2.11 1.25 3.85 -1.26 -4.43 116.55 109.04 3gtg n ASP 362 Ca -0.10 -1.26 -0.01 0.00 -0.71 0.00 0.00 54.79 52.71 3gtg n ASP 362 Cb 0.37 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.15 3gtg n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gtg n GLN 363 N -0.62 0.31 -3.30 0.11 6.02 -0.79 0.59 117.38 119.70 3gtg n GLN 363 Ca 0.04 -0.12 0.03 0.00 -0.01 0.00 0.00 57.00 56.94 3gtg n GLN 363 Cb 0.02 -0.05 -0.03 0.00 1.02 0.00 0.00 30.24 31.20 3gtg n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3gtg s VAL 364 N -0.44 -0.54 -0.35 5.09 0.11 0.04 -4.47 120.40 119.85 3gtg s VAL 364 Ca 0.04 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 3gtg s VAL 364 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3gtg s VAL 364 CO 0.02 0.00 2.14 -0.83 -3.33 0.00 0.00 175.10 173.10 3gtg s GLY 365 N 2.67 0.31 -0.21 6.54 0.00 0.71 -1.95 107.32 115.39 3gtg s GLY 365 Ca 0.01 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.08 3gtg s GLY 365 CO -0.16 3.73 -0.16 0.14 0.00 0.00 0.00 173.10 176.65 3gtg s VAL 366 N 9.04 2.09 0.63 1.40 1.01 -0.65 -1.28 120.40 132.63 3gtg s VAL 366 Ca 0.92 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 3gtg s VAL 366 Cb -0.25 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3gtg s VAL 366 CO 0.31 0.31 1.14 -2.84 0.00 0.00 0.00 175.10 174.02 3gtg s PRO 367 N 1.22 2.85 0.15 2.72 0.02 -1.26 -0.91 135.00 139.79 3gtg s PRO 367 Ca -0.01 1.55 -0.26 0.00 0.02 0.00 0.00 61.00 62.30 3gtg s PRO 367 Cb -0.16 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.43 3gtg s PRO 367 CO -0.10 -1.24 1.59 0.87 -0.33 0.00 0.00 177.00 177.79 3gtg h LYS 368 N 0.35 -0.33 -0.99 5.54 1.57 -1.70 -0.84 116.57 120.18 3gtg h LYS 368 Ca -0.48 0.02 0.38 0.00 -1.87 0.00 0.00 60.65 58.70 3gtg h LYS 368 Cb 1.26 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.47 3gtg h LYS 368 CO 0.54 -0.22 0.40 0.45 -0.57 0.00 0.00 179.45 180.06 3gtg n SER 369 N -5.42 0.23 -0.05 0.86 2.88 -1.26 0.19 113.62 111.06 3gtg n SER 369 Ca -0.01 1.64 -0.19 0.00 -1.33 0.00 0.00 58.87 58.99 3gtg n SER 369 Cb 0.34 -0.75 -0.13 0.00 -0.75 0.00 0.00 64.21 62.92 3gtg n SER 369 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3gtg h ILE 370 N 0.00 1.35 0.00 2.46 2.04 -1.74 -3.19 117.51 118.43 3gtg h ILE 370 Ca 0.78 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 64.30 3gtg h ILE 370 Cb 1.97 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.95 3gtg h ILE 370 CO -0.80 0.57 0.00 0.00 0.00 0.00 0.00 178.15 177.92 3gtg n ALA 371 N -2.92 1.63 0.53 1.87 0.00 -0.10 0.55 120.51 122.08 3gtg n ALA 371 Ca -0.20 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.31 3gtg n ALA 371 Cb 0.68 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.98 3gtg n ALA 371 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gtg n LYS 372 N -1.47 0.31 -0.09 0.00 4.81 0.51 -2.89 118.16 119.35 3gtg n LYS 372 Ca 0.04 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 3gtg n LYS 372 Cb 0.15 -1.63 -0.10 0.00 0.02 0.00 0.00 35.03 33.46 3gtg n LYS 372 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3gtg n THR 373 N -2.05 1.09 -2.69 3.15 -1.04 0.19 -4.98 114.28 107.95 3gtg n THR 373 Ca 0.02 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 3gtg n THR 373 Cb 0.45 -0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 3gtg n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3gtg s LEU 374 N -5.75 4.41 -0.03 -4.42 1.43 0.12 -5.05 118.68 109.40 3gtg s LEU 374 Ca -0.19 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3gtg s LEU 374 Cb 0.06 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.73 3gtg s LEU 374 CO 0.52 -0.22 -0.01 0.28 0.23 0.00 0.00 176.35 177.15 3gtg s THR 375 N 0.70 0.24 -0.36 5.49 -1.32 -1.26 -2.58 115.64 116.55 3gtg s THR 375 Ca 0.51 0.03 -0.04 0.00 -1.21 0.00 0.00 61.69 60.98 3gtg s THR 375 Cb -0.22 -0.31 0.07 0.00 -1.51 0.00 0.00 72.50 70.53 3gtg s THR 375 CO 0.29 0.15 0.12 -0.47 -2.21 0.00 0.00 174.62 172.49 3gtg s TYR 376 N 0.88 3.39 -0.86 9.09 5.04 -0.83 -4.91 117.35 129.15 3gtg s TYR 376 Ca -0.09 -1.97 -0.34 0.00 -2.44 0.00 0.00 57.07 52.23 3gtg s TYR 376 Cb -0.13 -2.63 -0.20 0.00 0.35 0.00 0.00 41.96 39.35 3gtg s TYR 376 CO -0.01 -0.86 2.56 -2.30 -1.34 0.00 0.00 175.55 173.60 3gtg n PRO 377 N 4.67 0.07 -4.45 4.97 -0.02 -1.26 -3.25 135.00 135.72 3gtg n PRO 377 Ca -0.09 0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.07 3gtg n PRO 377 Cb 0.43 -1.60 -0.10 0.00 -0.02 0.00 0.00 33.50 32.20 3gtg n PRO 377 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gtg s GLU 378 N 8.27 2.67 0.56 -0.52 2.12 -0.93 -4.84 118.70 126.03 3gtg s GLU 378 Ca 1.30 -0.64 -0.03 0.00 0.36 0.00 0.00 54.97 55.96 3gtg s GLU 378 Cb -1.26 -2.58 0.01 0.00 0.26 0.00 0.00 34.13 30.57 3gtg s GLU 378 CO 0.52 0.63 0.83 0.08 -0.54 0.00 0.00 175.26 176.78 3gtg s VAL 379 N -0.97 3.49 -0.44 3.70 1.01 -1.26 -1.63 120.40 124.30 3gtg s VAL 379 Ca 0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3gtg s VAL 379 Cb -0.11 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.97 3gtg s VAL 379 CO 0.06 -0.33 0.32 -0.69 0.00 0.00 0.00 175.10 174.47 3gtg s VAL 380 N -2.87 4.80 0.19 2.92 1.01 0.51 -4.80 120.40 122.16 3gtg s VAL 380 Ca 0.53 -1.15 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3gtg s VAL 380 Cb -0.10 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3gtg s VAL 380 CO 0.42 -0.51 -0.21 0.28 0.00 0.00 0.00 175.10 175.09 3gtg s THR 381 N 1.56 2.13 -1.32 3.92 -1.32 -1.26 -1.90 115.64 117.45 3gtg s THR 381 Ca 0.03 -2.02 0.02 0.00 -1.21 0.00 0.00 61.69 58.51 3gtg s THR 381 Cb -0.23 -2.02 0.03 0.00 -1.51 0.00 0.00 72.50 68.77 3gtg s THR 381 CO 0.05 -0.23 0.92 -2.65 -2.21 0.00 0.00 174.62 170.50 3gtg n PRO 382 N 0.18 0.02 0.02 7.08 -0.02 -1.26 -0.90 135.00 140.12 3gtg n PRO 382 Ca -0.12 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 3gtg n PRO 382 Cb 0.57 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 3gtg n PRO 382 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3gtg h TYR 383 N 0.00 -0.13 0.00 6.00 0.99 -1.99 -3.40 116.97 118.43 3gtg h TYR 383 Ca 0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 3gtg h TYR 383 Cb 0.02 0.04 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 3gtg h TYR 383 CO 0.00 0.36 -0.83 -2.95 -0.00 0.00 0.00 178.16 174.74 3gtg h ASN 384 N -0.88 0.00 -0.57 3.88 7.08 -1.36 -3.40 115.58 120.33 3gtg h ASN 384 Ca -0.01 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 53.28 3gtg h ASN 384 Cb 0.55 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.71 3gtg h ASN 384 CO 0.02 0.24 -0.26 -0.38 -2.08 0.00 0.00 177.43 174.97 3gtg n ILE 385 N -2.92 -0.33 0.22 6.14 5.41 -0.92 -0.56 119.36 126.41 3gtg n ILE 385 Ca -0.01 1.35 0.07 0.00 1.00 0.00 0.00 62.75 65.16 3gtg n ILE 385 Cb 0.66 -1.74 0.50 0.00 -0.71 0.00 0.00 39.64 38.35 3gtg n ILE 385 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3gtg h ASP 386 N 0.00 0.00 0.44 4.38 3.45 -1.88 1.49 116.42 124.30 3gtg h ASP 386 Ca 0.16 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.31 3gtg h ASP 386 Cb 0.30 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 3gtg h ASP 386 CO -0.55 0.26 -1.61 -0.09 -1.57 0.00 0.00 179.24 175.67 3gtg h ARG 387 N 0.00 0.19 0.11 3.56 2.43 -1.36 -3.35 114.38 115.96 3gtg h ARG 387 Ca -0.00 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3gtg h ARG 387 Cb 0.54 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3gtg h ARG 387 CO 0.03 1.00 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.37 3gtg h LEU 388 N 0.05 -0.13 -0.50 3.80 3.38 0.19 0.26 115.31 122.38 3gtg h LEU 388 Ca -0.27 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.45 3gtg h LEU 388 Cb 2.01 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.71 3gtg h LEU 388 CO 0.13 0.31 -0.01 0.74 0.09 0.00 0.00 178.44 179.71 3gtg h THR 389 N -0.59 0.60 -0.38 0.22 2.02 0.17 0.32 112.91 115.27 3gtg h THR 389 Ca -0.02 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.21 3gtg h THR 389 Cb 0.47 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 3gtg h THR 389 CO 0.02 0.02 -0.19 -0.61 0.37 0.00 0.00 175.52 175.13 3gtg h GLN 390 N 0.11 -0.12 0.21 6.66 5.75 -1.69 -2.25 115.11 123.78 3gtg h GLN 390 Ca 0.25 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.77 3gtg h GLN 390 Cb 0.38 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3gtg h GLN 390 CO -0.42 -0.08 -0.31 -0.07 -2.65 0.00 0.00 178.83 175.29 3gtg h LEU 391 N -0.13 -0.87 -0.48 -2.39 3.38 0.17 0.17 115.31 115.17 3gtg h LEU 391 Ca 0.19 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.30 3gtg h LEU 391 Cb 0.42 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 3gtg h LEU 391 CO -0.46 -0.42 -0.56 0.58 0.09 0.00 0.00 178.44 177.66 3gtg h VAL 392 N -0.59 0.00 -0.12 1.22 2.07 -0.66 0.25 116.25 118.42 3gtg h VAL 392 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3gtg h VAL 392 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3gtg h VAL 392 CO -0.12 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.69 3gtg h ARG 393 N -0.35 0.00 0.00 1.57 3.08 -1.07 -0.92 114.38 116.69 3gtg h ARG 393 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gtg h ARG 393 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gtg h ARG 393 CO -0.63 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 176.56 3gtg n ASN 394 N -3.48 0.00 -1.28 7.04 2.85 0.87 -4.95 115.26 116.31 3gtg n ASN 394 Ca 0.00 -0.44 0.14 0.00 -0.11 0.00 0.00 54.58 54.17 3gtg n ASN 394 Cb 0.29 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.24 3gtg n ASN 394 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gtg n GLY 395 N -0.29 -2.69 2.16 8.20 0.00 -0.35 -3.97 105.19 108.25 3gtg n GLY 395 Ca 0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3gtg n GLY 395 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gtg n PRO 396 N -4.11 2.46 0.00 1.61 -0.02 -1.26 -4.13 135.00 129.55 3gtg n PRO 396 Ca -0.08 -1.54 0.00 0.00 -2.02 0.00 0.00 63.50 59.86 3gtg n PRO 396 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gtg n PRO 396 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gtg n ASN 397 N 2.35 0.00 -4.53 2.55 3.02 -1.26 -4.99 115.26 112.41 3gtg n ASN 397 Ca 0.51 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.65 3gtg n ASN 397 Cb 0.71 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.88 3gtg n ASN 397 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gtg n GLU 398 N -2.15 0.91 0.00 3.52 1.02 -1.25 -4.83 120.64 117.86 3gtg n GLU 398 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3gtg n GLU 398 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 3gtg n GLU 398 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3gtg n HIS 399 N 13.36 0.00 -0.65 -0.32 -0.00 -1.26 -3.56 115.22 122.79 3gtg n HIS 399 Ca 0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 58.09 3gtg n HIS 399 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 3gtg n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3gtg n PRO 400 N 0.00 0.00 -0.45 1.57 -0.02 -1.26 -4.71 135.00 130.13 3gtg n PRO 400 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gtg n PRO 400 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 3gtg n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtg n GLY 401 N 2.52 4.96 3.64 -1.23 0.00 -1.23 -4.81 105.19 109.04 3gtg n GLY 401 Ca 0.21 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 3gtg n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg s ALA 402 N -2.00 -2.28 0.11 4.61 0.00 -1.26 -0.92 121.76 120.02 3gtg s ALA 402 Ca 0.00 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.04 3gtg s ALA 402 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3gtg s ALA 402 CO 0.00 -0.29 0.10 -1.59 0.00 0.00 0.00 175.76 173.98 3gtg s LYS 403 N 0.92 2.90 0.60 0.00 0.00 -1.08 -4.39 119.74 118.68 3gtg s LYS 403 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.17 3gtg s LYS 403 Cb -0.04 -2.70 0.00 0.00 0.00 0.00 0.00 37.83 35.09 3gtg s LYS 403 CO -0.12 0.54 0.00 0.66 0.00 0.00 0.00 175.35 176.42 3gtg n TYR 404 N 0.14 -4.52 -3.61 1.78 4.02 -1.24 -3.91 117.16 109.82 3gtg n TYR 404 Ca -0.08 2.44 -0.17 0.00 -0.01 0.00 0.00 57.90 60.08 3gtg n TYR 404 Cb 0.53 -3.72 -0.14 0.00 -0.02 0.00 0.00 39.34 35.99 3gtg n TYR 404 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gtg s VAL 405 N -4.95 -0.31 -0.12 -0.72 1.01 -0.97 -3.35 120.40 110.99 3gtg s VAL 405 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 3gtg s VAL 405 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3gtg s VAL 405 CO 0.00 0.02 0.30 -0.63 0.00 0.00 0.00 175.10 174.79 3gtg s ILE 406 N 2.33 5.27 0.57 2.22 1.09 -0.50 -2.13 121.20 130.05 3gtg s ILE 406 Ca 0.04 0.57 0.07 0.00 -1.10 0.00 0.00 60.65 60.23 3gtg s ILE 406 Cb -0.13 -3.62 0.06 0.00 -1.06 0.00 0.00 42.46 37.71 3gtg s ILE 406 CO -0.08 0.46 0.55 -0.13 -0.10 0.00 0.00 174.94 175.64 3gtg s ARG 407 N -0.07 2.24 0.18 2.79 0.52 -1.26 -2.36 118.95 120.99 3gtg s ARG 407 Ca 0.18 -1.94 -0.15 0.00 -0.52 0.00 0.00 55.73 53.30 3gtg s ARG 407 Cb -0.14 -2.26 0.15 0.00 0.52 0.00 0.00 34.95 33.22 3gtg s ARG 407 CO 0.06 -0.76 1.68 -0.44 0.02 0.00 0.00 175.30 175.86 3gtg h ASP 408 N 0.50 -0.23 1.31 0.23 3.45 -1.96 -2.72 116.42 117.00 3gtg h ASP 408 Ca -0.34 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.24 3gtg h ASP 408 Cb 1.30 0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.28 3gtg h ASP 408 CO 0.51 -0.08 0.00 0.28 -1.57 0.00 0.00 179.24 178.38 3gtg h SER 409 N 0.09 0.00 0.00 6.45 0.02 -1.99 -3.47 113.55 114.65 3gtg h SER 409 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3gtg h SER 409 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3gtg h SER 409 CO -0.40 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 3gtg n GLY 410 N 0.86 1.29 1.67 -3.77 0.00 -1.02 -5.11 105.19 99.10 3gtg n GLY 410 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3gtg n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gtg n ASP 411 N 0.07 -0.06 -3.52 1.61 8.00 -1.26 -4.89 116.55 116.50 3gtg n ASP 411 Ca 0.00 -1.18 -0.23 0.00 0.71 0.00 0.00 54.79 54.08 3gtg n ASP 411 Cb 0.01 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.52 3gtg n ASP 411 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gtg s ARG 412 N -4.26 0.17 -0.99 -1.24 3.52 -1.26 -4.07 118.95 110.83 3gtg s ARG 412 Ca 0.33 -0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.59 3gtg s ARG 412 Cb -0.01 -1.29 0.09 0.00 -1.56 0.00 0.00 34.95 32.18 3gtg s ARG 412 CO 0.23 -0.82 1.30 0.42 -0.81 0.00 0.00 175.30 175.62 3gtg s ILE 413 N 2.22 4.34 0.14 4.11 1.09 -0.91 -4.85 121.20 127.33 3gtg s ILE 413 Ca 0.06 -1.23 -0.31 0.00 -1.10 0.00 0.00 60.65 58.07 3gtg s ILE 413 Cb -0.16 -4.93 -0.10 0.00 -1.06 0.00 0.00 42.46 36.22 3gtg s ILE 413 CO -0.21 -1.73 1.66 -0.62 -0.10 0.00 0.00 174.94 173.94 3gtg s ASP 414 N 4.26 6.53 0.03 3.58 -1.08 -1.26 -2.28 116.67 126.44 3gtg s ASP 414 Ca 0.40 2.64 0.21 0.00 -0.52 0.00 0.00 52.55 55.29 3gtg s ASP 414 Cb -0.02 -2.58 -0.22 0.00 -1.46 0.00 0.00 42.92 38.63 3gtg s ASP 414 CO -0.09 -0.90 0.63 0.18 0.52 0.00 0.00 175.17 175.51 3gtg n LEU 415 N 4.72 0.30 -0.35 -1.34 4.77 -1.26 -3.72 117.00 120.12 3gtg n LEU 415 Ca 0.15 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3gtg n LEU 415 Cb 0.38 0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.62 3gtg n LEU 415 CO 0.63 0.00 1.26 0.03 -1.33 0.00 0.00 177.39 177.98 3gtg h ARG 416 N 0.00 1.20 0.00 3.23 3.08 -1.92 -3.44 114.38 116.53 3gtg h ARG 416 Ca -0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3gtg h ARG 416 Cb 1.15 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3gtg h ARG 416 CO 0.01 0.80 0.00 0.66 -1.07 0.00 0.00 179.97 180.36 3gtg n TYR 417 N -4.45 0.00 -0.11 3.04 0.53 -1.25 -5.09 117.16 109.83 3gtg n TYR 417 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.99 3gtg n TYR 417 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 3gtg n TYR 417 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3gtg n SER 418 N 0.00 -2.01 0.18 7.72 2.88 -1.24 -4.65 113.62 116.50 3gtg n SER 418 Ca 0.00 0.08 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 3gtg n SER 418 Cb 0.00 0.62 0.30 0.00 -0.75 0.00 0.00 64.21 64.37 3gtg n SER 418 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3gtg h LYS 419 N 0.15 0.00 -0.87 -1.46 2.10 -1.99 -3.27 116.57 111.23 3gtg h LYS 419 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.22 3gtg h LYS 419 Cb 0.00 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.08 3gtg h LYS 419 CO 0.00 0.37 0.50 0.54 -2.00 0.00 0.00 179.45 178.86 3gtg n ARG 420 N -3.44 2.41 -0.01 0.07 1.74 -1.26 -4.61 116.66 111.56 3gtg n ARG 420 Ca 0.00 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 3gtg n ARG 420 Cb 0.54 -2.13 0.01 0.00 -1.02 0.00 0.00 32.46 29.86 3gtg n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtg n ALA 421 N -1.00 2.50 0.00 7.54 0.00 -1.23 -2.69 120.51 125.62 3gtg n ALA 421 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3gtg n ALA 421 Cb 1.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3gtg n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtg n GLY 422 N 0.48 0.30 0.00 0.00 0.00 -1.26 -4.79 105.19 99.92 3gtg n GLY 422 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gtg n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtg n ASP 423 N -0.28 0.00 -2.75 1.61 2.03 -1.10 -5.00 116.55 111.06 3gtg n ASP 423 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 3gtg n ASP 423 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3gtg n ASP 423 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtg n ILE 424 N 0.00-10.06 -3.07 5.18 3.06 -1.15 -4.95 119.36 108.38 3gtg n ILE 424 Ca 0.00 1.97 -0.43 0.00 -2.50 0.00 0.00 62.75 61.79 3gtg n ILE 424 Cb 0.00 -5.75 -0.06 0.00 0.54 0.00 0.00 39.64 34.37 3gtg n ILE 424 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3gtg s GLN 425 N -0.82 3.19 -0.58 9.51 -1.52 -1.26 -5.02 119.66 123.16 3gtg s GLN 425 Ca -0.16 -0.67 -0.27 0.00 -1.95 0.00 0.00 55.36 52.31 3gtg s GLN 425 Cb 0.01 -4.07 0.03 0.00 -0.22 0.00 0.00 33.01 28.76 3gtg s GLN 425 CO 0.61 -1.26 1.15 -0.51 -0.25 0.00 0.00 175.29 175.03 3gtg s LEU 426 N 2.99 3.55 0.50 2.90 1.43 -1.26 -5.05 118.68 123.73 3gtg s LEU 426 Ca 0.20 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3gtg s LEU 426 Cb -0.17 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 42.99 3gtg s LEU 426 CO 0.15 -1.46 0.36 0.00 0.23 0.00 0.00 176.35 175.63 3gtg s GLN 427 N 4.82 2.30 0.11 1.70 0.00 -1.26 -5.03 119.66 122.30 3gtg s GLN 427 Ca 0.40 -1.90 -0.31 0.00 -0.00 0.00 0.00 55.36 53.55 3gtg s GLN 427 Cb -0.08 -2.13 -0.08 0.00 0.00 0.00 0.00 33.01 30.72 3gtg s GLN 427 CO 0.24 -0.45 1.44 0.71 0.00 0.00 0.00 175.29 177.22 3gtg s TYR 428 N -2.69 3.13 0.00 9.60 1.51 -1.26 -3.47 117.35 124.17 3gtg s TYR 428 Ca 0.37 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 3gtg s TYR 428 Cb -0.01 -3.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 3gtg s TYR 428 CO 0.22 -2.65 0.00 0.41 -1.11 0.00 0.00 175.55 172.43 3gtg n GLY 429 N 3.58 1.22 3.80 0.71 0.00 -0.80 -5.05 105.19 108.66 3gtg n GLY 429 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3gtg n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gtg s TRP 430 N -2.00 2.35 0.01 1.61 0.52 -1.23 -4.72 118.94 115.49 3gtg s TRP 430 Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 55.53 3gtg s TRP 430 Cb 0.00 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3gtg s TRP 430 CO 0.00 -0.02 -0.18 0.15 0.02 0.00 0.00 176.95 176.92 3gtg s LYS 431 N -4.03 1.37 -0.15 4.98 1.02 -1.00 -0.36 119.74 121.58 3gtg s LYS 431 Ca 0.38 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.62 3gtg s LYS 431 Cb 0.01 -1.39 -0.00 0.00 -0.52 0.00 0.00 37.83 35.93 3gtg s LYS 431 CO 0.22 0.37 -0.16 0.08 -0.92 0.00 0.00 175.35 174.93 3gtg s VAL 432 N -0.61 2.57 -0.85 3.17 1.01 -0.65 -1.41 120.40 123.64 3gtg s VAL 432 Ca 0.06 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 3gtg s VAL 432 Cb -0.08 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.31 3gtg s VAL 432 CO 0.00 0.52 1.17 -1.61 0.00 0.00 0.00 175.10 175.19 3gtg s GLU 433 N 0.78 3.41 0.75 2.72 2.02 -1.21 -2.19 118.70 124.98 3gtg s GLU 433 Ca -0.06 -1.17 -0.09 0.00 0.02 0.00 0.00 54.97 53.67 3gtg s GLU 433 Cb -0.15 -4.74 0.08 0.00 0.10 0.00 0.00 34.13 29.41 3gtg s GLU 433 CO 0.00 -1.93 1.08 -0.98 0.02 0.00 0.00 175.26 173.45 3gtg s ARG 434 N 3.96 2.04 0.67 1.61 1.70 -1.20 -2.65 118.95 125.08 3gtg s ARG 434 Ca 0.33 -0.16 -0.11 0.00 -0.47 0.00 0.00 55.73 55.32 3gtg s ARG 434 Cb -0.08 -2.09 -0.01 0.00 -0.57 0.00 0.00 34.95 32.21 3gtg s ARG 434 CO -0.01 -1.42 1.06 -1.01 -1.08 0.00 0.00 175.30 172.84 3gtg s HIS 435 N -3.38 3.37 0.13 5.89 3.76 -0.09 -1.97 115.29 122.99 3gtg s HIS 435 Ca 0.61 1.27 -0.31 0.00 -0.15 0.00 0.00 55.06 56.49 3gtg s HIS 435 Cb -0.10 -2.86 -0.07 0.00 1.11 0.00 0.00 32.58 30.65 3gtg s HIS 435 CO 0.46 -1.02 1.28 0.42 -0.85 0.00 0.00 174.74 175.04 3gtg s ILE 436 N -3.17 3.53 0.24 0.60 1.09 -1.06 -4.75 121.20 117.68 3gtg s ILE 436 Ca 0.57 1.16 0.10 0.00 -1.10 0.00 0.00 60.65 61.38 3gtg s ILE 436 Cb -0.12 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.49 3gtg s ILE 436 CO 0.54 0.13 -0.17 -0.04 -0.10 0.00 0.00 174.94 175.29 3gtg s MET 437 N 0.59 1.50 0.09 2.79 -1.94 -1.26 -4.84 119.30 116.22 3gtg s MET 437 Ca 0.59 -1.67 -0.28 0.00 -1.71 0.00 0.00 55.69 52.63 3gtg s MET 437 Cb -0.34 -1.45 -0.15 0.00 2.01 0.00 0.00 34.83 34.90 3gtg s MET 437 CO 0.33 0.26 0.65 -0.25 -0.01 0.00 0.00 175.02 176.00 3gtg n ASP 438 N -0.45 -0.54 -3.00 3.03 9.92 -1.26 -3.50 116.55 120.75 3gtg n ASP 438 Ca -0.07 0.95 -0.06 0.00 -0.53 0.00 0.00 54.79 55.08 3gtg n ASP 438 Cb 0.60 -0.77 0.01 0.00 -0.64 0.00 0.00 41.12 40.31 3gtg n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3gtg n ASN 439 N 1.46 -7.72 -4.16 -2.24 4.13 0.09 -4.90 115.26 101.90 3gtg n ASN 439 Ca 0.16 0.18 -0.10 0.00 1.68 0.00 0.00 54.58 56.49 3gtg n ASN 439 Cb 0.14 -5.14 -0.10 0.00 -1.54 0.00 0.00 39.78 33.14 3gtg n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3gtg s ASP 440 N -2.78 0.79 -0.60 6.41 1.11 -1.23 -4.87 116.67 115.51 3gtg s ASP 440 Ca 0.13 -1.09 -0.28 0.00 0.18 0.00 0.00 52.55 51.48 3gtg s ASP 440 Cb -0.03 0.18 0.02 0.00 1.07 0.00 0.00 42.92 44.15 3gtg s ASP 440 CO 0.77 -0.59 1.38 -2.84 1.18 0.00 0.00 175.17 175.06 3gtg s PRO 441 N -3.93 3.29 0.03 8.23 0.02 -1.26 -3.25 135.00 138.13 3gtg s PRO 441 Ca 0.16 0.31 0.06 0.00 0.02 0.00 0.00 61.00 61.56 3gtg s PRO 441 Cb 0.07 -4.13 -0.03 0.00 0.02 0.00 0.00 34.50 30.43 3gtg s PRO 441 CO -0.02 -1.97 -0.16 0.14 -0.33 0.00 0.00 177.00 174.66 3gtg s VAL 442 N 5.96 2.93 -0.23 3.83 -7.23 -0.84 -4.51 120.40 120.31 3gtg s VAL 442 Ca 0.48 -1.11 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 3gtg s VAL 442 Cb -0.10 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3gtg s VAL 442 CO 0.23 0.35 0.15 -0.22 -0.31 0.00 0.00 175.10 175.30 3gtg s LEU 443 N -1.41 4.06 -0.36 1.32 0.20 -1.00 -0.22 118.68 121.26 3gtg s LEU 443 Ca 0.15 0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.09 3gtg s LEU 443 Cb -0.11 -2.08 0.15 0.00 -0.43 0.00 0.00 46.19 43.72 3gtg s LEU 443 CO 0.05 0.08 0.30 0.12 -0.29 0.00 0.00 176.35 176.61 3gtg s PHE 444 N 0.99 0.22 0.31 5.38 5.36 0.00 0.07 117.98 130.32 3gtg s PHE 444 Ca 0.07 -1.25 0.04 0.00 -0.96 0.00 0.00 56.93 54.83 3gtg s PHE 444 Cb -0.13 -0.66 0.04 0.00 -0.34 0.00 0.00 43.02 41.93 3gtg s PHE 444 CO 0.04 -0.90 0.36 0.27 -1.46 0.00 0.00 175.22 173.53 3gtg n ASN 445 N 4.09 1.47 -3.66 6.13 6.94 -1.17 -3.86 115.26 125.20 3gtg n ASN 445 Ca 0.12 -1.92 -0.08 0.00 -0.02 0.00 0.00 54.58 52.68 3gtg n ASN 445 Cb 0.41 -0.15 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 3gtg n ASN 445 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3gtg s ARG 446 N -3.37 0.36 0.50 -3.83 3.52 -1.21 -1.79 118.95 113.13 3gtg s ARG 446 Ca 0.27 1.02 -0.18 0.00 -0.13 0.00 0.00 55.73 56.72 3gtg s ARG 446 Cb -0.02 0.30 -0.08 0.00 -1.56 0.00 0.00 34.95 33.59 3gtg s ARG 446 CO 0.17 -0.23 0.99 -0.65 -0.81 0.00 0.00 175.30 174.78 3gtg s GLN 447 N 2.40 3.92 0.22 5.12 1.11 -1.26 -4.09 119.66 127.07 3gtg s GLN 447 Ca -0.03 1.07 -0.30 0.00 0.01 0.00 0.00 55.36 56.10 3gtg s GLN 447 Cb -0.11 -2.13 -0.08 0.00 -1.01 0.00 0.00 33.01 29.68 3gtg s GLN 447 CO -0.13 -0.30 1.05 -2.14 0.01 0.00 0.00 175.29 173.77 3gtg s PRO 448 N -3.78 4.68 -0.97 2.91 0.02 -1.26 -5.05 135.00 131.56 3gtg s PRO 448 Ca 0.61 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 3gtg s PRO 448 Cb -0.11 -3.26 0.09 0.00 0.02 0.00 0.00 34.50 31.24 3gtg s PRO 448 CO 0.26 0.24 1.28 -1.12 -0.33 0.00 0.00 177.00 177.33 3gtg s SER 449 N -0.59 6.55 0.00 2.53 0.01 -1.26 -4.81 113.70 116.14 3gtg s SER 449 Ca 0.46 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 56.00 3gtg s SER 449 Cb -0.29 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.46 3gtg s SER 449 CO 0.36 -1.30 0.41 0.00 0.41 0.00 0.00 173.24 173.12 3gtg n LEU 450 N 7.74 0.82 -4.59 2.44 -0.00 -1.26 -5.03 117.00 117.12 3gtg n LEU 450 Ca 0.27 -0.88 -0.26 0.00 -0.00 0.00 0.00 56.01 55.14 3gtg n LEU 450 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 3gtg n LEU 450 CO 0.58 0.21 -0.34 -1.00 -0.00 0.00 0.00 177.39 176.84 3gtg s HIS 451 N -0.12 2.47 0.35 1.47 3.76 -1.26 -4.57 115.29 117.40 3gtg s HIS 451 Ca 0.00 -0.51 0.11 0.00 -0.15 0.00 0.00 55.06 54.51 3gtg s HIS 451 Cb 0.00 -1.50 0.66 0.00 1.11 0.00 0.00 32.58 32.85 3gtg s HIS 451 CO 0.00 0.51 1.80 1.57 -0.85 0.00 0.00 174.74 177.78 3gtg h LYS 452 N 1.89 0.07 0.00 1.40 2.10 -1.95 -3.01 116.57 117.06 3gtg h LYS 452 Ca -0.43 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3gtg h LYS 452 Cb 1.25 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3gtg h LYS 452 CO 0.71 0.43 0.00 -1.33 -2.00 0.00 0.00 179.45 177.26 3gtg n MET 453 N -4.09 0.03 0.04 0.07 2.81 -1.26 -2.51 117.12 112.21 3gtg n MET 453 Ca -0.02 0.33 0.02 0.00 -1.81 0.00 0.00 57.70 56.22 3gtg n MET 453 Cb 0.42 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 3gtg n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3gtg n SER 454 N -1.38 0.86 -4.33 7.83 7.64 -1.14 -4.37 113.62 118.74 3gtg n SER 454 Ca 0.02 0.37 -0.36 0.00 1.01 0.00 0.00 58.87 59.91 3gtg n SER 454 Cb 0.04 0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 63.31 3gtg n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3gtg s MET 455 N -3.00 3.29 0.12 1.43 -1.94 -1.05 -3.29 119.30 114.87 3gtg s MET 455 Ca -0.03 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 3gtg s MET 455 Cb 0.09 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3gtg s MET 455 CO 0.81 -0.28 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.81 3gtg s MET 456 N 1.49 0.93 0.07 2.03 1.00 -1.25 -4.93 119.30 118.63 3gtg s MET 456 Ca 0.04 -1.35 -0.23 0.00 0.00 0.00 0.00 55.69 54.16 3gtg s MET 456 Cb -0.15 -0.45 -0.06 0.00 0.00 0.00 0.00 34.83 34.17 3gtg s MET 456 CO -0.01 0.04 0.70 0.00 0.00 0.00 0.00 175.02 175.75 3gtg s ALA 457 N -3.25 3.45 0.32 3.03 0.00 -0.59 -0.81 121.76 123.91 3gtg s ALA 457 Ca 0.12 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.33 3gtg s ALA 457 Cb 0.02 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 3gtg s ALA 457 CO -0.02 0.19 0.04 -1.01 0.00 0.00 0.00 175.76 174.97 3gtg s HIS 458 N -0.49 1.99 -0.04 0.00 3.76 0.69 -2.41 115.29 118.79 3gtg s HIS 458 Ca 0.35 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.31 3gtg s HIS 458 Cb -0.20 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 3gtg s HIS 458 CO 0.22 0.06 0.15 1.03 -0.85 0.00 0.00 174.74 175.35 3gtg s ARG 459 N -3.87 3.36 -0.14 1.40 0.52 0.20 -1.98 118.95 118.44 3gtg s ARG 459 Ca 0.36 -0.31 -0.20 0.00 -0.52 0.00 0.00 55.73 55.06 3gtg s ARG 459 Cb 0.08 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3gtg s ARG 459 CO 0.15 0.70 0.55 0.08 0.02 0.00 0.00 175.30 176.80 3gtg s VAL 460 N -1.22 5.11 -0.17 3.52 1.01 -1.20 -0.78 120.40 126.68 3gtg s VAL 460 Ca 0.23 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.30 3gtg s VAL 460 Cb -0.12 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3gtg s VAL 460 CO 0.14 0.24 -0.19 -0.75 0.00 0.00 0.00 175.10 174.54 3gtg s LYS 461 N 1.14 2.84 0.09 2.72 2.47 -0.82 -0.73 119.74 127.45 3gtg s LYS 461 Ca 0.28 -0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 53.62 3gtg s LYS 461 Cb -0.16 -2.45 -0.05 0.00 -1.46 0.00 0.00 37.83 33.71 3gtg s LYS 461 CO 0.11 -0.19 0.99 0.08 0.16 0.00 0.00 175.35 176.50 3gtg s VAL 462 N 1.26 4.52 0.08 4.02 1.01 -1.26 -1.64 120.40 128.39 3gtg s VAL 462 Ca 0.03 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.05 3gtg s VAL 462 Cb -0.13 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3gtg s VAL 462 CO -0.11 0.27 -0.10 0.27 0.00 0.00 0.00 175.10 175.43 3gtg s ILE 463 N 0.26 0.82 0.58 2.22 -5.25 -0.09 -4.89 121.20 114.85 3gtg s ILE 463 Ca 0.49 -1.46 -0.19 0.00 -0.99 0.00 0.00 60.65 58.50 3gtg s ILE 463 Cb -0.24 -1.13 -0.04 0.00 2.95 0.00 0.00 42.46 44.01 3gtg s ILE 463 CO 0.30 -0.49 1.23 -2.84 -1.79 0.00 0.00 174.94 171.35 3gtg s PRO 464 N -2.38 3.02 0.05 0.37 0.02 -1.26 -2.08 135.00 132.73 3gtg s PRO 464 Ca 0.00 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3gtg s PRO 464 Cb -0.05 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3gtg s PRO 464 CO -0.00 -1.19 0.00 0.66 -0.33 0.00 0.00 177.00 176.14 3gtg n TYR 465 N -1.47 -0.34 -1.04 6.54 4.02 -1.26 -4.79 117.16 118.83 3gtg n TYR 465 Ca 0.13 0.18 -0.02 0.00 -0.01 0.00 0.00 57.90 58.18 3gtg n TYR 465 Cb 0.49 -0.31 0.32 0.00 -0.02 0.00 0.00 39.34 39.82 3gtg n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3gtg n SER 466 N -2.28 4.85 -4.89 7.72 7.64 -1.26 -4.52 113.62 120.89 3gtg n SER 466 Ca -0.01 -3.18 -0.27 0.00 1.01 0.00 0.00 58.87 56.42 3gtg n SER 466 Cb 0.06 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 3gtg n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gtg s THR 467 N -2.96 5.07 -0.27 0.44 -4.23 -1.26 -4.69 115.64 107.75 3gtg s THR 467 Ca 0.54 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 60.08 3gtg s THR 467 Cb 0.43 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.69 3gtg s THR 467 CO 0.13 -0.04 0.79 -0.36 -0.54 0.00 0.00 174.62 174.60 3gtg s PHE 468 N -1.67 3.26 0.13 3.99 0.40 -0.95 -4.10 117.98 119.03 3gtg s PHE 468 Ca 0.33 0.97 0.06 0.00 -0.60 0.00 0.00 56.93 57.69 3gtg s PHE 468 Cb -0.11 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 3gtg s PHE 468 CO 0.27 -0.46 -0.01 1.03 0.70 0.00 0.00 175.22 176.75 3gtg s ARG 469 N 2.85 2.44 0.22 0.44 0.52 -0.41 -1.20 118.95 123.81 3gtg s ARG 469 Ca 0.33 -0.97 -0.19 0.00 -0.52 0.00 0.00 55.73 54.37 3gtg s ARG 469 Cb -0.15 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 32.91 3gtg s ARG 469 CO 0.10 0.50 0.59 -0.48 0.02 0.00 0.00 175.30 176.03 3gtg s LEU 470 N -2.57 -0.13 0.51 2.53 0.05 -1.03 0.25 118.68 118.30 3gtg s LEU 470 Ca 0.26 -0.46 -0.22 0.00 0.05 0.00 0.00 54.13 53.75 3gtg s LEU 470 Cb -0.11 2.38 -0.07 0.00 -2.05 0.00 0.00 46.19 46.34 3gtg s LEU 470 CO 0.18 -1.13 1.24 -3.20 -0.55 0.00 0.00 176.35 172.89 3gtg n ASN 471 N -0.39 2.22 0.00 1.48 5.15 -1.26 -1.90 115.26 120.56 3gtg n ASN 471 Ca -0.09 0.99 0.04 0.00 -0.60 0.00 0.00 54.58 54.92 3gtg n ASN 471 Cb 0.62 -1.51 0.25 0.00 -0.53 0.00 0.00 39.78 38.61 3gtg n ASN 471 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3gtg n LEU 472 N -0.53 0.00 -0.15 1.20 4.77 -1.26 -2.66 117.00 118.37 3gtg n LEU 472 Ca 0.10 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.23 3gtg n LEU 472 Cb 0.43 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3gtg n LEU 472 CO 0.54 -0.09 0.36 -1.20 -1.33 0.00 0.00 177.39 175.67 3gtg n SER 473 N -1.13 0.87 -1.63 -1.43 7.64 -1.26 -4.31 113.62 112.36 3gtg n SER 473 Ca 0.06 -1.86 0.07 0.00 1.01 0.00 0.00 58.87 58.15 3gtg n SER 473 Cb 0.05 -0.13 0.37 0.00 -1.01 0.00 0.00 64.21 63.49 3gtg n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3gtg n VAL 474 N -0.37 2.65 0.32 0.44 3.14 -1.09 -3.95 118.33 119.47 3gtg n VAL 474 Ca 0.03 -1.54 -0.13 0.00 -2.96 0.00 0.00 64.34 59.74 3gtg n VAL 474 Cb 0.52 -0.27 -0.06 0.00 -1.06 0.00 0.00 33.84 32.97 3gtg n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3gtg h THR 475 N 3.42 0.00 -0.53 1.55 2.02 -1.75 -3.39 112.91 114.23 3gtg h THR 475 Ca 0.00 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3gtg h THR 475 Cb 1.85 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3gtg h THR 475 CO 0.42 0.00 0.30 0.28 0.37 0.00 0.00 175.52 176.89 3gtg h SER 476 N -1.18 0.47 0.47 4.18 0.02 -1.83 -1.21 113.55 114.47 3gtg h SER 476 Ca -0.09 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3gtg h SER 476 Cb 0.66 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3gtg h SER 476 CO 0.14 0.32 0.00 -2.65 -1.14 0.00 0.00 176.83 173.51 3gtg n PRO 477 N -4.82 0.15 -0.04 3.45 -0.02 -1.26 -1.36 135.00 131.09 3gtg n PRO 477 Ca 0.05 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 3gtg n PRO 477 Cb 0.11 -1.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.61 3gtg n PRO 477 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gtg n TYR 478 N -2.12 0.25 0.00 6.00 4.02 -0.86 -3.97 117.16 120.47 3gtg n TYR 478 Ca 0.01 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3gtg n TYR 478 Cb 0.16 -0.88 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 3gtg n TYR 478 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gtg n ASN 479 N -2.65 0.00 -4.64 7.72 5.15 -0.46 -4.93 115.26 115.44 3gtg n ASN 479 Ca -0.19 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.40 3gtg n ASN 479 Cb 0.92 -0.05 0.04 0.00 -0.53 0.00 0.00 39.78 40.16 3gtg n ASN 479 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtg n ALA 480 N 0.06 0.52 -3.48 5.20 0.00 -1.24 -4.93 120.51 116.64 3gtg n ALA 480 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gtg n ALA 480 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3gtg n ALA 480 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gtg n ASP 481 N -0.50 1.36 -0.65 0.00 3.85 -1.26 -4.77 116.55 114.59 3gtg n ASP 481 Ca 0.12 -0.80 0.05 0.00 -0.71 0.00 0.00 54.79 53.44 3gtg n ASP 481 Cb 0.45 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.41 3gtg n ASP 481 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3gtg n PHE 482 N -0.26 0.33 0.95 2.11 3.01 -1.26 -4.36 117.46 117.98 3gtg n PHE 482 Ca 0.00 -1.37 0.00 0.00 1.01 0.00 0.00 57.45 57.09 3gtg n PHE 482 Cb 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 3gtg n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gtg n ASP 483 N -1.14 1.25 0.00 4.37 3.85 -1.26 -4.69 116.55 118.92 3gtg n ASP 483 Ca 0.22 -1.89 0.00 0.00 -0.71 0.00 0.00 54.79 52.41 3gtg n ASP 483 Cb 0.78 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 3gtg n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gtg n GLY 484 N 0.11 1.45 3.77 6.12 0.00 -1.26 -5.09 105.19 110.28 3gtg n GLY 484 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gtg n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtg s ASP 485 N -2.00 6.35 0.30 1.61 -0.00 -1.26 -4.85 116.67 116.82 3gtg s ASP 485 Ca 0.00 3.01 0.02 0.00 -0.00 0.00 0.00 52.55 55.58 3gtg s ASP 485 Cb 0.00 -2.65 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 3gtg s ASP 485 CO 0.00 -0.89 0.47 -1.61 -0.00 0.00 0.00 175.17 173.14 3gtg s GLU 486 N -1.42 3.47 0.06 8.23 2.02 -1.26 -2.39 118.70 127.41 3gtg s GLU 486 Ca 0.57 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 55.05 3gtg s GLU 486 Cb -0.47 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 3gtg s GLU 486 CO 0.57 0.26 0.04 -1.64 0.02 0.00 0.00 175.26 174.51 3gtg s MET 487 N -4.14 0.64 0.48 1.61 -1.94 -1.05 -4.81 119.30 110.09 3gtg s MET 487 Ca 0.38 -1.05 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 3gtg s MET 487 Cb -0.09 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.98 3gtg s MET 487 CO 0.33 -0.15 0.26 -0.80 -0.01 0.00 0.00 175.02 174.65 3gtg s ASN 488 N -2.70 4.51 -0.29 3.03 -0.87 -0.74 -3.00 114.94 114.88 3gtg s ASN 488 Ca 0.03 -1.20 -0.22 0.00 -1.57 0.00 0.00 52.86 49.90 3gtg s ASN 488 Cb 0.05 0.02 0.14 0.00 -0.02 0.00 0.00 41.25 41.44 3gtg s ASN 488 CO -0.09 -0.82 1.10 -0.22 -2.57 0.00 0.00 177.10 174.50 3gtg s LEU 489 N -4.07 -0.38 0.08 0.60 0.20 -1.23 -3.03 118.68 110.86 3gtg s LEU 489 Ca 0.34 0.68 0.05 0.00 0.69 0.00 0.00 54.13 55.89 3gtg s LEU 489 Cb 0.01 1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 47.41 3gtg s LEU 489 CO 0.19 -0.11 -0.14 -1.00 -0.29 0.00 0.00 176.35 175.00 3gtg s HIS 490 N 0.50 1.24 -0.28 5.38 3.76 0.11 -1.98 115.29 124.03 3gtg s HIS 490 Ca 0.00 -0.49 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3gtg s HIS 490 Cb -0.05 -0.69 0.08 0.00 1.11 0.00 0.00 32.58 33.04 3gtg s HIS 490 CO -0.10 0.07 0.05 0.08 -0.85 0.00 0.00 174.74 173.98 3gtg s VAL 491 N -1.52 1.17 0.18 -0.90 1.01 -0.96 -2.39 120.40 116.99 3gtg s VAL 491 Ca 0.01 -1.36 -0.33 0.00 0.00 0.00 0.00 61.98 60.30 3gtg s VAL 491 Cb -0.09 -1.74 -0.14 0.00 0.00 0.00 0.00 36.38 34.42 3gtg s VAL 491 CO 0.02 -0.46 1.50 -0.81 0.00 0.00 0.00 175.10 175.35 3gtg n PRO 492 N 4.76 2.01 0.02 2.72 -0.04 -1.26 -4.90 135.00 138.30 3gtg n PRO 492 Ca -0.05 0.72 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 3gtg n PRO 492 Cb 0.43 -2.44 0.24 0.00 -0.04 0.00 0.00 33.50 31.69 3gtg n PRO 492 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gtg n GLN 493 N 2.90 0.11 -4.37 0.54 1.13 -1.26 -4.84 117.38 111.59 3gtg n GLN 493 Ca 0.15 0.03 -0.21 0.00 -1.94 0.00 0.00 57.00 55.03 3gtg n GLN 493 Cb 0.29 -1.57 -0.13 0.00 0.11 0.00 0.00 30.24 28.94 3gtg n GLN 493 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gtg s SER 494 N -3.45 1.88 0.23 1.08 1.04 -1.26 -4.57 113.70 108.65 3gtg s SER 494 Ca 0.09 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 3gtg s SER 494 Cb 0.16 -0.12 0.39 0.00 0.10 0.00 0.00 66.02 66.55 3gtg s SER 494 CO 0.70 0.04 1.73 -0.33 0.98 0.00 0.00 173.24 176.36 3gtg h GLU 495 N 4.76 0.40 -0.22 4.02 4.39 -1.92 0.12 114.58 126.14 3gtg h GLU 495 Ca -0.40 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.33 3gtg h GLU 495 Cb 1.18 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.66 3gtg h GLU 495 CO 0.43 0.26 -0.36 0.93 -1.16 0.00 0.00 179.01 179.12 3gtg h GLU 496 N 0.41 -0.36 -0.73 2.33 5.08 -1.99 0.71 114.58 120.03 3gtg h GLU 496 Ca 0.37 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.85 3gtg h GLU 496 Cb 0.54 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3gtg h GLU 496 CO -0.38 -0.24 0.48 1.15 -1.00 0.00 0.00 179.01 179.01 3gtg h THR 497 N -0.38 0.95 0.07 1.13 2.02 -1.82 0.12 112.91 115.00 3gtg h THR 497 Ca 0.11 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3gtg h THR 497 Cb 0.57 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3gtg h THR 497 CO -0.43 0.12 -0.03 0.03 0.37 0.00 0.00 175.52 175.58 3gtg h ARG 498 N 0.65 -0.09 0.17 6.66 3.08 0.23 -2.12 114.38 122.96 3gtg h ARG 498 Ca 0.33 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.40 3gtg h ARG 498 Cb 0.44 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 3gtg h ARG 498 CO -0.12 0.14 -0.51 0.00 -1.07 0.00 0.00 179.97 178.41 3gtg h ALA 499 N 0.59 -1.01 0.00 0.04 0.00 0.88 -2.58 119.26 117.18 3gtg h ALA 499 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gtg h ALA 499 Cb 0.28 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gtg h ALA 499 CO 0.02 -1.12 0.18 -1.91 0.00 0.00 0.00 179.25 176.41 3gtg n GLU 500 N -5.38 0.05 -0.09 0.00 2.13 0.36 -0.86 120.64 116.85 3gtg n GLU 500 Ca -0.09 0.47 -0.22 0.00 0.66 0.00 0.00 57.16 57.98 3gtg n GLU 500 Cb 0.41 -1.85 -0.12 0.00 0.27 0.00 0.00 31.44 30.15 3gtg n GLU 500 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gtg n LEU 501 N -1.73 2.49 -0.43 4.31 4.77 -0.81 -3.94 117.00 121.67 3gtg n LEU 501 Ca -0.01 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3gtg n LEU 501 Cb 0.19 -0.96 0.56 0.00 -2.33 0.00 0.00 43.42 40.88 3gtg n LEU 501 CO 0.03 0.74 0.89 -1.54 -1.33 0.00 0.00 177.39 176.18 3gtg n SER 502 N -3.72 1.33 -0.00 -1.43 3.41 -0.04 -1.25 113.62 111.92 3gtg n SER 502 Ca -0.42 -1.46 0.04 0.00 -0.26 0.00 0.00 58.87 56.76 3gtg n SER 502 Cb 0.94 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 3gtg n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtg n GLN 503 N 0.05 0.63 0.00 4.33 1.13 -0.68 -4.53 117.38 118.31 3gtg n GLN 503 Ca 0.19 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 3gtg n GLN 503 Cb 0.32 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.54 3gtg n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gtg n LEU 504 N -1.69 0.82 0.16 1.08 4.77 -1.25 -4.84 117.00 116.05 3gtg n LEU 504 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3gtg n LEU 504 Cb 0.18 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 3gtg n LEU 504 CO 0.15 0.02 0.53 0.00 -1.33 0.00 0.00 177.39 176.76 3gtg n ALA 506 N -2.08 -2.67 -0.18 0.00 0.00 -0.38 -1.54 120.51 113.67 3gtg n ALA 506 Ca 0.03 0.56 0.09 0.00 0.00 0.00 0.00 53.44 54.12 3gtg n ALA 506 Cb 0.52 -1.87 0.39 0.00 0.00 0.00 0.00 19.45 18.50 3gtg n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtg h VAL 507 N 3.35 0.95 -0.17 0.00 2.07 -1.82 -2.61 116.25 118.02 3gtg h VAL 507 Ca -0.49 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 3gtg h VAL 507 Cb 1.40 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3gtg h VAL 507 CO 0.72 0.12 -0.35 -0.65 0.02 0.00 0.00 177.57 177.43 3gtg h PRO 508 N 0.66 0.36 -0.29 1.57 0.11 -1.89 -2.80 132.00 129.71 3gtg h PRO 508 Ca 0.33 -0.15 0.06 0.00 0.11 0.00 0.00 66.00 66.34 3gtg h PRO 508 Cb 0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3gtg h PRO 508 CO -0.12 0.66 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.22 3gtg h LEU 509 N 0.31 -0.21 0.00 2.35 3.38 -1.82 -2.33 115.31 116.98 3gtg h LEU 509 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gtg h LEU 509 Cb 0.76 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3gtg h LEU 509 CO 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3gtg n GLN 510 N -5.21 0.06 -0.17 1.13 1.13 -1.06 -3.68 117.38 109.58 3gtg n GLN 510 Ca -0.00 0.17 -0.02 0.00 -1.94 0.00 0.00 57.00 55.21 3gtg n GLN 510 Cb 0.16 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.08 3gtg n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3gtg h ILE 511 N 0.00 0.72 -3.57 5.09 2.04 -1.48 -3.36 117.51 116.95 3gtg h ILE 511 Ca 0.00 -0.09 -0.62 0.00 1.00 0.00 0.00 64.86 65.15 3gtg h ILE 511 Cb 0.02 0.45 -0.13 0.00 -0.74 0.00 0.00 36.82 36.41 3gtg h ILE 511 CO 0.00 0.05 0.05 0.54 0.00 0.00 0.00 178.15 178.78 3gtg s VAL 512 N -6.13 5.00 -0.48 1.67 0.11 -1.24 -0.16 120.40 119.17 3gtg s VAL 512 Ca -0.13 0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 59.43 3gtg s VAL 512 Cb 0.16 -3.92 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 3gtg s VAL 512 CO 0.73 -0.06 0.99 -0.55 -3.33 0.00 0.00 175.10 172.88 3gtg s SER 513 N 1.62 6.52 0.00 3.54 0.15 0.72 -4.88 113.70 121.37 3gtg s SER 513 Ca 0.22 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3gtg s SER 513 Cb -0.15 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3gtg s SER 513 CO 0.11 -1.14 0.19 -0.81 1.20 0.00 0.00 173.24 172.79 3gtg n PRO 514 N 7.42 0.24 -0.13 5.44 -0.04 -1.26 -1.50 135.00 145.17 3gtg n PRO 514 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 3gtg n PRO 514 Cb 0.49 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 3gtg n PRO 514 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3gtg n GLN 515 N -0.10 0.55 -0.50 0.54 7.27 -1.26 -4.66 117.38 119.22 3gtg n GLN 515 Ca 0.00 0.24 0.07 0.00 0.07 0.00 0.00 57.00 57.38 3gtg n GLN 515 Cb 0.03 -1.43 0.17 0.00 2.41 0.00 0.00 30.24 31.42 3gtg n GLN 515 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3gtg n SER 516 N -4.19 1.80 -3.73 1.69 7.64 -0.56 -2.91 113.62 113.35 3gtg n SER 516 Ca -0.50 -3.49 -0.30 0.00 1.01 0.00 0.00 58.87 55.60 3gtg n SER 516 Cb 0.84 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 3gtg n SER 516 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3gtg n ASN 517 N -1.08 -1.01 -3.76 6.43 0.23 -0.58 -4.87 115.26 110.62 3gtg n ASN 517 Ca 0.17 -0.91 -0.10 0.00 -0.53 0.00 0.00 54.58 53.21 3gtg n ASN 517 Cb 0.70 -1.16 -0.05 0.00 -2.08 0.00 0.00 39.78 37.19 3gtg n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3gtg s LYS 518 N -5.64 1.11 0.37 -3.83 0.00 -1.24 -4.79 119.74 105.71 3gtg s LYS 518 Ca 0.52 -0.88 -0.25 0.00 0.00 0.00 0.00 55.97 55.35 3gtg s LYS 518 Cb -0.30 0.44 -0.09 0.00 0.00 0.00 0.00 37.83 37.87 3gtg s LYS 518 CO 0.75 -0.42 1.02 -1.25 0.00 0.00 0.00 175.35 175.45 3gtg s PRO 519 N -3.86 4.33 0.00 1.78 0.04 -1.26 -0.20 135.00 135.83 3gtg s PRO 519 Ca 0.07 1.49 0.19 0.00 0.04 0.00 0.00 61.00 62.79 3gtg s PRO 519 Cb 0.02 -2.67 -0.18 0.00 0.04 0.00 0.00 34.50 31.71 3gtg s PRO 519 CO -0.08 0.01 0.85 0.00 0.04 0.00 0.00 177.00 177.83 3gtg s MET 521 N -2.74 3.65 0.29 0.00 -1.94 -1.26 -4.25 119.30 113.06 3gtg s MET 521 Ca 0.09 0.03 0.03 0.00 -1.71 0.00 0.00 55.69 54.13 3gtg s MET 521 Cb 0.15 -3.22 -0.01 0.00 2.01 0.00 0.00 34.83 33.76 3gtg s MET 521 CO 0.75 0.71 0.31 0.41 -0.01 0.00 0.00 175.02 177.19 3gtg n GLY 522 N 2.08 2.74 3.54 -0.03 0.00 -1.25 -4.30 105.19 107.96 3gtg n GLY 522 Ca -0.18 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3gtg n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtg s ILE 523 N -2.99 5.06 0.00 -0.61 1.09 -1.25 -4.58 121.20 117.92 3gtg s ILE 523 Ca 0.30 0.15 0.07 0.00 -1.10 0.00 0.00 60.65 60.07 3gtg s ILE 523 Cb 0.01 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.44 3gtg s ILE 523 CO 0.21 -0.22 -0.20 -0.69 -0.10 0.00 0.00 174.94 173.93 3gtg s VAL 524 N 2.27 1.62 0.00 2.92 1.01 -1.26 -4.43 120.40 122.53 3gtg s VAL 524 Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3gtg s VAL 524 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3gtg s VAL 524 CO 0.13 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.61 3gtg n GLN 525 N 2.36 0.00 -0.24 2.72 6.02 -1.26 -3.47 117.38 123.51 3gtg n GLN 525 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 3gtg n GLN 525 Cb 0.53 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.73 3gtg n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtg n ASP 526 N 5.26 -0.61 -0.13 1.08 9.92 -1.26 0.90 116.55 131.71 3gtg n ASP 526 Ca 0.00 1.31 -0.07 0.00 -0.53 0.00 0.00 54.79 55.50 3gtg n ASP 526 Cb 0.00 -0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 40.19 3gtg n ASP 526 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3gtg h THR 527 N 0.00 0.23 -0.80 -3.53 1.35 -1.95 0.14 112.91 108.36 3gtg h THR 527 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 3gtg h THR 527 Cb 0.23 0.23 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 3gtg h THR 527 CO -0.54 0.00 0.48 0.25 -0.25 0.00 0.00 175.52 175.46 3gtg h LEU 528 N -0.23 0.96 -0.55 3.87 5.85 -1.54 -0.61 115.31 123.06 3gtg h LEU 528 Ca 0.18 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3gtg h LEU 528 Cb 0.54 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3gtg h LEU 528 CO -0.56 0.74 0.27 0.00 -0.34 0.00 0.00 178.44 178.55 3gtg n GLY 530 N -1.26 -0.01 0.32 0.00 0.00 -0.28 -3.39 105.19 100.57 3gtg n GLY 530 Ca 0.06 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.63 3gtg n GLY 530 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gtg n ILE 531 N 0.00 0.00 -0.06 -0.61 3.06 -0.25 -1.42 119.36 120.08 3gtg n ILE 531 Ca 0.11 -0.17 -0.15 0.00 -2.50 0.00 0.00 62.75 60.05 3gtg n ILE 531 Cb 0.45 0.45 -0.13 0.00 0.54 0.00 0.00 39.64 40.95 3gtg n ILE 531 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 3gtg h ARG 532 N 1.57 0.03 0.41 9.51 2.43 -1.52 -3.38 114.38 123.43 3gtg h ARG 532 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3gtg h ARG 532 Cb 0.51 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3gtg h ARG 532 CO 0.00 1.01 -0.45 0.87 -1.51 0.00 0.00 179.97 179.89 3gtg h LYS 533 N -0.93 -0.84 -1.08 0.20 1.57 -1.56 -2.04 116.57 111.89 3gtg h LYS 533 Ca -0.01 0.06 0.31 0.00 -1.87 0.00 0.00 60.65 59.14 3gtg h LYS 533 Cb 1.05 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 3gtg h LYS 533 CO 0.01 -0.56 0.84 1.25 -0.57 0.00 0.00 179.45 180.42 3gtg h LEU 534 N -0.87 0.00 0.00 2.94 6.46 -1.47 -0.72 115.31 121.64 3gtg h LEU 534 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3gtg h LEU 534 Cb 0.77 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 3gtg h LEU 534 CO -0.08 0.00 -0.95 0.35 -0.62 0.00 0.00 178.44 177.14 3gtg n THR 535 N -4.02 0.03 -1.08 1.05 -2.24 -0.80 -3.49 114.28 103.72 3gtg n THR 535 Ca 0.23 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 3gtg n THR 535 Cb 1.20 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 70.13 3gtg n THR 535 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gtg n LEU 536 N -1.62 -2.19 -0.10 3.22 4.77 -0.28 -4.56 117.00 116.24 3gtg n LEU 536 Ca 0.04 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 3gtg n LEU 536 Cb 0.36 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 3gtg n LEU 536 CO 0.41 -4.38 0.53 0.03 -1.33 0.00 0.00 177.39 172.65 3gtg h ARG 537 N -0.75 0.89 -0.03 3.23 3.08 -1.92 -3.07 114.38 115.80 3gtg h ARG 537 Ca -0.44 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.14 3gtg h ARG 537 Cb 1.34 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 3gtg h ARG 537 CO 0.35 1.13 0.04 -0.44 -1.07 0.00 0.00 179.97 179.98 3gtg h ASP 538 N 0.71 0.00 -3.39 7.04 5.19 -1.94 -3.42 116.42 120.62 3gtg h ASP 538 Ca 0.05 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.89 3gtg h ASP 538 Cb 1.01 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.46 3gtg h ASP 538 CO 0.10 0.00 0.98 -0.89 -3.12 0.00 0.00 179.24 176.31 3gtg s THR 539 N -4.67 4.12 -0.03 0.35 2.01 -1.16 -5.00 115.64 111.25 3gtg s THR 539 Ca -0.05 1.19 0.07 0.00 0.31 0.00 0.00 61.69 63.21 3gtg s THR 539 Cb 0.15 -4.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 3gtg s THR 539 CO 0.56 -0.75 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.14 3gtg s PHE 540 N 4.69 2.27 0.05 4.92 2.99 -1.26 -2.22 117.98 129.42 3gtg s PHE 540 Ca 0.54 -0.52 0.08 0.00 0.00 0.00 0.00 56.93 57.04 3gtg s PHE 540 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 43.02 41.40 3gtg s PHE 540 CO 0.28 -0.10 -0.22 0.42 -0.00 0.00 0.00 175.22 175.61 3gtg s ILE 541 N -0.43 2.51 0.48 0.64 1.01 -0.52 -4.93 121.20 119.95 3gtg s ILE 541 Ca 0.05 -1.32 0.06 0.00 0.00 0.00 0.00 60.65 59.44 3gtg s ILE 541 Cb -0.11 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 3gtg s ILE 541 CO 0.01 0.32 0.30 -1.83 0.00 0.00 0.00 174.94 173.73 3gtg s GLU 542 N -1.45 2.28 0.03 2.79 -1.05 -1.26 -1.34 118.70 118.70 3gtg s GLU 542 Ca 0.14 -1.92 -0.05 0.00 -0.15 0.00 0.00 54.97 52.98 3gtg s GLU 542 Cb -0.10 -2.06 -0.01 0.00 -0.44 0.00 0.00 34.13 31.52 3gtg s GLU 542 CO 0.04 -0.38 0.84 -0.11 0.95 0.00 0.00 175.26 176.60 3gtg n LEU 543 N -1.53 -0.17 -0.33 1.83 7.94 -1.26 -1.42 117.00 122.07 3gtg n LEU 543 Ca -0.02 0.87 0.02 0.00 -1.11 0.00 0.00 56.01 55.77 3gtg n LEU 543 Cb 0.64 -0.33 0.17 0.00 0.53 0.00 0.00 43.42 44.43 3gtg n LEU 543 CO 0.42 -0.53 1.21 -2.24 -1.11 0.00 0.00 177.39 175.14 3gtg h ASP 544 N 0.00 0.88 0.28 1.96 2.03 -1.98 -0.99 116.42 118.60 3gtg h ASP 544 Ca 0.03 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 3gtg h ASP 544 Cb 0.07 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 3gtg h ASP 544 CO -0.15 0.54 -0.14 1.56 -1.03 0.00 0.00 179.24 180.03 3gtg h GLN 545 N 1.00 -0.36 -0.63 4.15 4.20 -1.92 -3.24 115.11 118.31 3gtg h GLN 545 Ca 0.41 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.26 3gtg h GLN 545 Cb 0.24 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 27.98 3gtg h GLN 545 CO -0.20 -0.04 -0.28 0.28 -0.67 0.00 0.00 178.83 177.92 3gtg h VAL 546 N -0.73 0.21 0.26 -0.54 2.07 -0.30 -0.76 116.25 116.45 3gtg h VAL 546 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3gtg h VAL 546 Cb 0.49 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3gtg h VAL 546 CO 0.06 0.00 -0.51 -0.07 0.02 0.00 0.00 177.57 177.08 3gtg h LEU 547 N -0.11 -1.48 -0.86 2.57 3.38 -1.35 -2.16 115.31 115.31 3gtg h LEU 547 Ca 0.27 0.14 0.20 0.00 0.09 0.00 0.00 57.88 58.58 3gtg h LEU 547 Cb 0.54 0.53 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 3gtg h LEU 547 CO -0.70 -0.58 -0.07 0.78 0.09 0.00 0.00 178.44 177.96 3gtg h ASN 548 N -0.83 -0.54 0.03 -0.43 2.35 -1.19 -1.12 115.58 113.85 3gtg h ASN 548 Ca -0.03 0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3gtg h ASN 548 Cb 0.78 0.45 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 3gtg h ASN 548 CO -0.20 -0.26 -0.17 0.24 -1.65 0.00 0.00 177.43 175.39 3gtg h MET 549 N 0.04 -0.28 -0.15 0.81 2.86 -0.84 0.27 114.93 117.65 3gtg h MET 549 Ca 0.46 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.15 3gtg h MET 549 Cb 0.82 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.49 3gtg h MET 549 CO -0.81 -0.19 -0.49 -0.07 1.06 0.00 0.00 176.91 176.41 3gtg h LEU 550 N -0.29 -1.57 -1.99 1.22 -0.00 -0.63 0.38 115.31 112.43 3gtg h LEU 550 Ca 0.04 0.19 0.10 0.00 -0.00 0.00 0.00 57.88 58.22 3gtg h LEU 550 Cb 0.34 0.62 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 3gtg h LEU 550 CO -0.14 -0.43 0.42 0.22 -0.00 0.00 0.00 178.44 178.51 3gtg h TYR 551 N -0.51 0.00 -0.64 1.13 3.20 -0.14 0.24 116.97 120.24 3gtg h TYR 551 Ca 0.03 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3gtg h TYR 551 Cb 0.61 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3gtg h TYR 551 CO -0.59 0.00 0.29 -1.49 -1.64 0.00 0.00 178.16 174.73 3gtg h TRP 552 N 0.00 0.94 -2.89 -3.82 -0.00 0.17 -3.41 115.95 106.94 3gtg h TRP 552 Ca 0.17 -0.06 -0.57 0.00 -0.00 0.00 0.00 58.89 58.44 3gtg h TRP 552 Cb 1.01 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.84 3gtg h TRP 552 CO 0.00 0.72 0.93 0.08 -0.00 0.00 0.00 178.44 180.18 3gtg s VAL 553 N -5.65 4.19 0.35 1.49 1.01 0.82 -4.90 120.40 117.72 3gtg s VAL 553 Ca -0.13 1.43 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 3gtg s VAL 553 Cb 0.13 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 3gtg s VAL 553 CO 0.80 -0.16 1.10 -2.16 0.00 0.00 0.00 175.10 174.67 3gtg s PRO 554 N 3.63 4.33 -1.02 2.72 0.04 -1.26 -3.07 135.00 140.36 3gtg s PRO 554 Ca 0.57 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 3gtg s PRO 554 Cb -0.22 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.50 3gtg s PRO 554 CO 0.17 -0.04 0.89 -0.25 0.04 0.00 0.00 177.00 177.80 3gtg n ASP 555 N 0.45 -4.78 -4.62 6.66 9.92 -1.26 -5.00 116.55 117.94 3gtg n ASP 555 Ca 0.02 -0.43 -0.42 0.00 -0.53 0.00 0.00 54.79 53.44 3gtg n ASP 555 Cb 0.47 -4.00 -0.05 0.00 -0.64 0.00 0.00 41.12 36.91 3gtg n ASP 555 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3gtg s TRP 556 N -3.25 3.21 0.64 1.24 -0.00 -1.18 -4.93 118.94 114.67 3gtg s TRP 556 Ca 0.37 0.85 0.10 0.00 -0.00 0.00 0.00 56.10 57.43 3gtg s TRP 556 Cb -0.16 -3.23 0.38 0.00 -0.00 0.00 0.00 33.47 30.45 3gtg s TRP 556 CO 0.56 -0.57 1.14 0.38 -0.00 0.00 0.00 176.95 178.46 3gtg h ASP 557 N 8.09 0.00 0.00 5.86 2.03 -1.94 -3.42 116.42 127.04 3gtg h ASP 557 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 3gtg h ASP 557 Cb 1.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 3gtg h ASP 557 CO 0.89 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.71 3gtg n GLY 558 N -1.57 1.00 2.96 7.15 0.00 -1.26 -5.08 105.19 108.39 3gtg n GLY 558 Ca 0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3gtg n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 559 N -2.00 1.49 -0.16 1.61 1.01 -1.26 -5.09 120.40 115.99 3gtg s VAL 559 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3gtg s VAL 559 Cb 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3gtg s VAL 559 CO 0.00 0.13 1.22 -0.63 0.00 0.00 0.00 175.10 175.83 3gtg s ILE 560 N 1.46 4.33 0.04 2.22 -1.09 -1.26 -4.98 121.20 121.92 3gtg s ILE 560 Ca -0.01 1.62 -0.31 0.00 -2.23 0.00 0.00 60.65 59.72 3gtg s ILE 560 Cb -0.16 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.61 3gtg s ILE 560 CO -0.08 -0.12 1.48 -2.84 -1.23 0.00 0.00 174.94 172.15 3gtg s PRO 561 N 3.29 4.26 0.11 2.79 0.02 -1.26 -4.94 135.00 139.28 3gtg s PRO 561 Ca 0.53 2.10 -0.36 0.00 0.02 0.00 0.00 61.00 63.30 3gtg s PRO 561 Cb -0.21 -3.52 -0.16 0.00 0.02 0.00 0.00 34.50 30.63 3gtg s PRO 561 CO 0.14 -0.60 1.35 2.41 -0.33 0.00 0.00 177.00 179.97 3gtg n THR 562 N 4.56 0.15 -2.91 0.99 -1.04 -1.26 -4.82 114.28 109.95 3gtg n THR 562 Ca 0.14 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 3gtg n THR 562 Cb 0.42 -0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.94 3gtg n THR 562 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3gtg s PRO 563 N 0.40 4.28 0.15 -2.82 0.04 -1.26 -4.93 135.00 130.86 3gtg s PRO 563 Ca 0.82 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 3gtg s PRO 563 Cb -0.89 -3.58 0.18 0.00 0.04 0.00 0.00 34.50 30.25 3gtg s PRO 563 CO 0.46 -0.33 0.98 0.00 0.04 0.00 0.00 177.00 178.15 3gtg n ALA 564 N 5.26 -0.03 -2.77 8.56 0.00 -1.23 -3.61 120.51 126.70 3gtg n ALA 564 Ca 0.04 0.64 -0.36 0.00 0.00 0.00 0.00 53.44 53.76 3gtg n ALA 564 Cb 0.49 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 3gtg n ALA 564 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtg s ILE 565 N -5.64 5.40 -0.06 0.00 1.01 -0.90 -4.94 121.20 116.07 3gtg s ILE 565 Ca -0.09 0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.97 3gtg s ILE 565 Cb 0.14 -3.49 0.14 0.00 0.01 0.00 0.00 42.46 39.25 3gtg s ILE 565 CO 0.46 0.52 1.07 0.00 0.00 0.00 0.00 174.94 176.98 3gtg n ILE 566 N 2.76 0.90 -0.20 2.92 3.06 -1.24 -2.37 119.36 125.21 3gtg n ILE 566 Ca -0.17 -1.08 0.00 0.00 -2.50 0.00 0.00 62.75 59.00 3gtg n ILE 566 Cb 0.53 0.15 0.00 0.00 0.54 0.00 0.00 39.64 40.86 3gtg n ILE 566 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 3gtg n LYS 567 N -0.69 0.63 0.00 9.51 2.85 -1.26 -4.71 118.16 124.49 3gtg n LYS 567 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3gtg n LYS 567 Cb 0.67 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 3gtg n LYS 567 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3gtg n PRO 568 N -0.31 0.00 -3.33 -1.58 -0.02 -1.26 -3.60 135.00 124.90 3gtg n PRO 568 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3gtg n PRO 568 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 3gtg n PRO 568 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gtg s LYS 569 N -0.74 0.42 -0.17 -0.52 2.20 -1.26 -5.13 119.74 114.54 3gtg s LYS 569 Ca 0.00 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 3gtg s LYS 569 Cb 0.00 0.53 -0.06 0.00 -1.51 0.00 0.00 37.83 36.79 3gtg s LYS 569 CO 0.00 -0.30 2.18 -2.30 -0.36 0.00 0.00 175.35 174.57 3gtg n PRO 570 N 5.32 2.13 -4.14 4.03 -0.02 -1.24 -4.58 135.00 136.50 3gtg n PRO 570 Ca -0.07 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 3gtg n PRO 570 Cb 0.51 -3.19 -0.11 0.00 -0.02 0.00 0.00 33.50 30.69 3gtg n PRO 570 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gtg s LEU 571 N 7.60 2.35 0.10 2.45 1.02 -1.00 -4.40 118.68 126.81 3gtg s LEU 571 Ca 0.99 -0.72 0.07 0.00 0.02 0.00 0.00 54.13 54.49 3gtg s LEU 571 Cb -0.36 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.52 3gtg s LEU 571 CO 0.37 -0.23 -0.11 0.26 0.02 0.00 0.00 176.35 176.66 3gtg s TRP 572 N -2.03 2.72 0.60 0.29 0.23 -0.45 -2.11 118.94 118.20 3gtg s TRP 572 Ca 0.00 -0.17 -0.12 0.00 -2.03 0.00 0.00 56.10 53.79 3gtg s TRP 572 Cb -0.06 -1.43 -0.05 0.00 0.03 0.00 0.00 33.47 31.97 3gtg s TRP 572 CO 0.00 0.42 1.02 0.45 0.96 0.00 0.00 176.95 179.81 3gtg s SER 573 N -2.19 6.28 0.08 2.95 0.15 -1.26 -1.44 113.70 118.28 3gtg s SER 573 Ca 0.21 1.44 -0.36 0.00 0.70 0.00 0.00 55.95 57.94 3gtg s SER 573 Cb -0.11 -2.47 -0.18 0.00 -1.71 0.00 0.00 66.02 61.55 3gtg s SER 573 CO 0.13 -0.83 1.58 1.23 1.20 0.00 0.00 173.24 176.55 3gtg h GLY 574 N -0.15 -1.23 -0.88 9.45 0.00 -1.48 -2.71 103.07 106.07 3gtg h GLY 574 Ca -0.44 0.53 0.13 0.00 0.00 0.00 0.00 47.33 47.55 3gtg h GLY 574 CO 0.62 -0.41 -0.37 0.28 0.00 0.00 0.00 176.54 176.67 3gtg n LYS 575 N -5.58 -0.23 -0.19 4.80 5.02 -1.23 -1.01 118.16 119.74 3gtg n LYS 575 Ca -0.13 1.35 0.05 0.00 -2.02 0.00 0.00 58.31 57.55 3gtg n LYS 575 Cb 0.47 -2.00 0.10 0.00 -0.02 0.00 0.00 35.03 33.57 3gtg n LYS 575 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gtg n GLN 576 N -5.27 -0.05 -0.09 1.97 1.13 -1.02 -2.87 117.38 111.17 3gtg n GLN 576 Ca 0.08 0.84 -0.21 0.00 -1.94 0.00 0.00 57.00 55.77 3gtg n GLN 576 Cb 0.34 -1.27 -0.12 0.00 0.11 0.00 0.00 30.24 29.30 3gtg n GLN 576 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3gtg n ILE 577 N -4.82 1.59 0.10 5.09 -6.64 -0.18 -3.98 119.36 110.51 3gtg n ILE 577 Ca 0.10 -0.53 0.19 0.00 -1.77 0.00 0.00 62.75 60.74 3gtg n ILE 577 Cb 0.31 -1.63 0.75 0.00 -1.44 0.00 0.00 39.64 37.63 3gtg n ILE 577 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 3gtg h LEU 578 N -0.18 0.00 -2.62 7.28 5.85 -1.38 0.32 115.31 124.57 3gtg h LEU 578 Ca -0.53 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.20 3gtg h LEU 578 Cb 1.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 3gtg h LEU 578 CO -0.09 0.00 0.08 0.28 -0.34 0.00 0.00 178.44 178.37 3gtg h SER 579 N 0.00 0.00 1.28 1.25 0.02 -1.65 0.89 113.55 115.34 3gtg h SER 579 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3gtg h SER 579 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3gtg h SER 579 CO -0.00 0.00 0.00 0.58 -1.14 0.00 0.00 176.83 176.27 3gtg h VAL 580 N 0.00 0.00 -0.06 2.27 2.07 -0.58 -1.67 116.25 118.28 3gtg h VAL 580 Ca 0.01 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 3gtg h VAL 580 Cb 0.17 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3gtg h VAL 580 CO -0.00 0.00 -0.66 0.00 0.02 0.00 0.00 177.57 176.93 3gtg h ALA 581 N 2.06 0.78 -2.27 1.67 0.00 0.71 -3.44 119.26 118.76 3gtg h ALA 581 Ca 0.00 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 3gtg h ALA 581 Cb 0.64 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 3gtg h ALA 581 CO 0.00 0.77 0.41 0.42 0.00 0.00 0.00 179.25 180.85 3gtg s ILE 582 N -3.65 4.82 1.11 0.00 1.01 -0.63 -4.87 121.20 118.99 3gtg s ILE 582 Ca -0.04 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 61.82 3gtg s ILE 582 Cb 0.12 -4.12 0.26 0.00 0.01 0.00 0.00 42.46 38.72 3gtg s ILE 582 CO 0.80 -0.17 1.05 -2.84 0.00 0.00 0.00 174.94 173.78 3gtg s PRO 583 N 2.90 -0.52 0.26 2.79 0.02 -1.26 -4.71 135.00 134.48 3gtg s PRO 583 Ca 0.33 0.79 -0.09 0.00 0.02 0.00 0.00 61.00 62.05 3gtg s PRO 583 Cb -0.15 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 3gtg s PRO 583 CO 0.10 -3.45 0.58 -0.80 -0.33 0.00 0.00 177.00 173.11 3gtg s ASN 584 N -2.76 6.58 -0.88 2.53 -0.87 -1.26 -4.12 114.94 114.17 3gtg s ASN 584 Ca 0.68 0.91 -0.02 0.00 -1.57 0.00 0.00 52.86 52.85 3gtg s ASN 584 Cb -0.23 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 3gtg s ASN 584 CO 0.63 -0.14 0.23 0.61 -2.57 0.00 0.00 177.10 175.85 3gtg n GLY 585 N -0.45 -0.01 3.50 0.66 0.00 -1.17 -4.94 105.19 102.79 3gtg n GLY 585 Ca 0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3gtg n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtg s ILE 586 N -2.78 4.37 -0.02 -0.61 -1.09 0.29 -4.94 121.20 116.43 3gtg s ILE 586 Ca 0.11 -0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.43 3gtg s ILE 586 Cb -0.05 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 3gtg s ILE 586 CO 0.14 0.39 -0.21 -1.00 -1.23 0.00 0.00 174.94 173.03 3gtg s HIS 587 N 1.13 1.91 -0.22 3.97 3.76 -1.26 -2.45 115.29 122.13 3gtg s HIS 587 Ca 0.04 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 3gtg s HIS 587 Cb -0.14 -1.23 0.07 0.00 1.11 0.00 0.00 32.58 32.38 3gtg s HIS 587 CO 0.03 -0.03 0.55 -1.17 -0.85 0.00 0.00 174.74 173.26 3gtg s LEU 588 N -0.51 -0.43 0.07 0.89 2.96 0.03 -4.98 118.68 116.71 3gtg s LEU 588 Ca 0.08 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 3gtg s LEU 588 Cb -0.08 1.86 -0.03 0.00 0.50 0.00 0.00 46.19 48.44 3gtg s LEU 588 CO -0.01 -0.21 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.12 3gtg s GLN 589 N 1.26 0.74 0.00 1.98 0.74 -1.26 0.29 119.66 123.41 3gtg s GLN 589 Ca -0.08 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.38 3gtg s GLN 589 Cb -0.06 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.46 3gtg s GLN 589 CO -0.13 0.12 0.00 -2.13 -0.55 0.00 0.00 175.29 172.60 3gtg n ARG 590 N 1.14 0.00 -2.61 1.67 0.63 -0.92 -5.00 116.66 111.56 3gtg n ARG 590 Ca -0.20 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.68 3gtg n ARG 590 Cb 0.55 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.42 3gtg n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3gtg n PHE 591 N -1.65 -4.47 0.00 -0.14 3.01 -1.26 -4.96 117.46 107.98 3gtg n PHE 591 Ca 0.00 2.52 0.00 0.00 1.01 0.00 0.00 57.45 60.98 3gtg n PHE 591 Cb 0.00 -3.97 0.00 0.00 -0.01 0.00 0.00 39.48 35.50 3gtg n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gtg n ASP 592 N 1.56 0.00 0.00 4.37 8.00 -1.26 -4.95 116.55 124.27 3gtg n ASP 592 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3gtg n ASP 592 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3gtg n ASP 592 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3gtg n GLU 593 N 0.00 0.00 -3.41 -1.24 4.07 -1.26 -4.76 120.64 114.03 3gtg n GLU 593 Ca 0.00 0.11 -0.44 0.00 -0.06 0.00 0.00 57.16 56.77 3gtg n GLU 593 Cb 0.00 -0.48 -0.03 0.00 -0.06 0.00 0.00 31.44 30.87 3gtg n GLU 593 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3gtg s GLY 594 N -1.48 2.92 -0.26 8.31 0.00 -1.26 -4.98 107.32 110.59 3gtg s GLY 594 Ca 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 44.72 41.12 3gtg s GLY 594 CO 0.00 1.26 0.03 -1.59 0.00 0.00 0.00 173.10 172.80 3gtg s THR 595 N -0.62 1.10 -0.22 0.90 2.01 -1.26 -4.43 115.64 113.12 3gtg s THR 595 Ca 0.24 -1.20 0.11 0.00 0.31 0.00 0.00 61.69 61.15 3gtg s THR 595 Cb -0.11 -1.62 0.42 0.00 0.01 0.00 0.00 72.50 71.21 3gtg s THR 595 CO -0.08 -0.37 1.22 0.35 -0.69 0.00 0.00 174.62 175.05 3gtg n THR 596 N 4.80 2.24 -1.18 -0.82 -2.24 -1.26 -4.91 114.28 110.91 3gtg n THR 596 Ca -0.07 -3.33 -0.06 0.00 -2.27 0.00 0.00 64.05 58.33 3gtg n THR 596 Cb 0.44 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3gtg n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gtg n LEU 597 N -1.09 0.20 0.00 3.22 4.77 -1.26 -4.58 117.00 118.26 3gtg n LEU 597 Ca 0.21 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3gtg n LEU 597 Cb 0.71 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 3gtg n LEU 597 CO -0.00 -0.96 -0.02 0.18 -1.33 0.00 0.00 177.39 175.26 3gtg n LEU 598 N -0.69 0.05 -2.45 2.23 4.77 -1.26 -5.13 117.00 114.53 3gtg n LEU 598 Ca -0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 3gtg n LEU 598 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3gtg n LEU 598 CO 0.09 -0.25 -0.60 -1.54 -1.33 0.00 0.00 177.39 173.77 3gtg n SER 599 N -2.07 -1.32 0.00 -1.43 3.41 -1.26 -4.71 113.62 106.24 3gtg n SER 599 Ca 0.00 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 3gtg n SER 599 Cb 0.02 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.12 3gtg n SER 599 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gtg n PRO 600 N 1.56 0.00 -3.28 4.33 -0.02 -1.26 -2.43 135.00 133.89 3gtg n PRO 600 Ca -0.35 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.30 3gtg n PRO 600 Cb 0.54 -0.76 -0.05 0.00 -0.02 0.00 0.00 33.50 33.21 3gtg n PRO 600 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gtg n LYS 601 N -2.20 3.20 -4.11 -0.52 4.81 -1.26 -4.92 118.16 113.16 3gtg n LYS 601 Ca 0.00 -4.64 -0.28 0.00 -0.87 0.00 0.00 58.31 52.52 3gtg n LYS 601 Cb 0.00 -2.34 -0.09 0.00 0.02 0.00 0.00 35.03 32.62 3gtg n LYS 601 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gtg n ASP 602 N 1.00 0.59 -4.82 3.14 9.92 -1.02 -4.91 116.55 120.46 3gtg n ASP 602 Ca 0.29 -1.13 -0.31 0.00 -0.53 0.00 0.00 54.79 53.11 3gtg n ASP 602 Cb 0.38 -1.40 0.04 0.00 -0.64 0.00 0.00 41.12 39.50 3gtg n ASP 602 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3gtg s ASN 603 N -4.10 5.46 0.05 -2.24 -0.87 -1.26 -3.65 114.94 108.34 3gtg s ASN 603 Ca 0.08 1.66 0.00 0.00 -1.57 0.00 0.00 52.86 53.03 3gtg s ASN 603 Cb -0.04 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3gtg s ASN 603 CO 0.88 -1.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.64 3gtg n GLY 604 N -1.75 -0.25 3.65 0.66 0.00 -1.26 -4.62 105.19 101.62 3gtg n GLY 604 Ca 0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 3gtg n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtg s MET 605 N 0.00 0.05 -0.05 1.61 1.75 -1.26 -4.06 119.30 117.34 3gtg s MET 605 Ca 0.00 0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.49 3gtg s MET 605 Cb 0.00 0.02 0.03 0.00 2.84 0.00 0.00 34.83 37.72 3gtg s MET 605 CO 0.00 -0.01 0.02 -1.17 -0.65 0.00 0.00 175.02 173.21 3gtg s LEU 606 N 0.25 0.66 -0.22 4.11 2.96 -0.79 -2.18 118.68 123.47 3gtg s LEU 606 Ca 0.04 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3gtg s LEU 606 Cb -0.04 -0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.42 3gtg s LEU 606 CO -0.14 -0.18 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.94 3gtg s ILE 607 N 1.68 2.35 -0.17 6.68 1.01 0.15 -1.31 121.20 131.58 3gtg s ILE 607 Ca -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 3gtg s ILE 607 Cb -0.13 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 3gtg s ILE 607 CO -0.03 0.30 0.00 -0.63 0.00 0.00 0.00 174.94 174.58 3gtg s ILE 608 N 1.26 4.18 0.00 2.92 -1.09 -1.12 -0.79 121.20 126.56 3gtg s ILE 608 Ca 0.00 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 3gtg s ILE 608 Cb -0.16 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3gtg s ILE 608 CO -0.08 0.47 0.00 -0.67 -1.23 0.00 0.00 174.94 173.43 3gtg n ASP 609 N 3.67 0.00 -0.00 3.58 2.03 -1.02 -1.67 116.55 123.13 3gtg n ASP 609 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3gtg n ASP 609 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3gtg n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtg n GLY 610 N 0.00 1.38 3.25 0.27 0.00 -1.26 -0.55 105.19 108.28 3gtg n GLY 610 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 3gtg n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtg s GLN 611 N -0.75 1.06 -0.17 1.61 -1.52 -0.67 -4.53 119.66 114.69 3gtg s GLN 611 Ca 0.00 -1.32 -0.10 0.00 -1.95 0.00 0.00 55.36 52.00 3gtg s GLN 611 Cb 0.00 -0.87 -0.05 0.00 -0.22 0.00 0.00 33.01 31.88 3gtg s GLN 611 CO 0.00 0.15 0.17 0.96 -0.25 0.00 0.00 175.29 176.33 3gtg s ILE 612 N -2.46 5.40 -0.23 1.08 -4.36 -1.26 -2.78 121.20 116.58 3gtg s ILE 612 Ca 0.12 0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 60.63 3gtg s ILE 612 Cb -0.03 -3.50 -0.17 0.00 1.25 0.00 0.00 42.46 40.02 3gtg s ILE 612 CO 0.03 0.47 -0.02 -0.38 0.24 0.00 0.00 174.94 175.28 3gtg n ILE 613 N 3.19 1.55 -3.52 8.37 2.08 -0.43 -4.84 119.36 125.76 3gtg n ILE 613 Ca -0.16 -0.24 -0.12 0.00 0.56 0.00 0.00 62.75 62.80 3gtg n ILE 613 Cb 0.53 -1.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.46 3gtg n ILE 613 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 3gtg s PHE 614 N -2.44 -0.39 0.00 1.39 -0.12 -1.25 -5.03 117.98 110.13 3gtg s PHE 614 Ca -0.33 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.72 3gtg s PHE 614 Cb 0.10 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 3gtg s PHE 614 CO 0.57 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 175.38 3gtg n GLY 615 N -0.24 2.65 3.45 1.99 0.00 -1.26 -1.89 105.19 109.89 3gtg n GLY 615 Ca -0.17 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 3gtg n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 616 N -2.76 4.25 0.21 1.61 1.01 -1.24 -4.92 120.40 118.56 3gtg s VAL 616 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3gtg s VAL 616 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 3gtg s VAL 616 CO 0.00 0.36 1.14 -0.69 0.00 0.00 0.00 175.10 175.91 3gtg s VAL 617 N 1.44 3.63 0.00 2.92 1.01 -1.26 -4.94 120.40 123.19 3gtg s VAL 617 Ca 0.05 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3gtg s VAL 617 Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3gtg s VAL 617 CO 0.03 0.27 0.00 -1.84 0.00 0.00 0.00 175.10 173.56 3gtg n GLU 618 N 2.05 0.00 -0.28 2.72 -0.00 -1.26 -3.57 120.64 120.30 3gtg n GLU 618 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.12 3gtg n GLU 618 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.84 3gtg n GLU 618 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3gtg n LYS 619 N 0.00 -0.27 -0.13 3.44 3.00 -1.23 -0.35 118.16 122.62 3gtg n LYS 619 Ca 0.00 1.02 0.18 0.00 -0.00 0.00 0.00 58.31 59.50 3gtg n LYS 619 Cb 0.00 -1.50 0.56 0.00 0.00 0.00 0.00 35.03 34.10 3gtg n LYS 619 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3gtg h LYS 620 N 0.00 0.28 0.00 1.64 1.57 -1.90 1.25 116.57 119.41 3gtg h LYS 620 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gtg h LYS 620 Cb 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gtg h LYS 620 CO -0.64 0.18 -0.40 1.15 -0.57 0.00 0.00 179.45 179.18 3gtg h THR 621 N 0.29 0.00 0.00 -0.16 2.02 -1.55 -3.37 112.91 110.15 3gtg h THR 621 Ca 0.35 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 3gtg h THR 621 Cb 0.97 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3gtg h THR 621 CO -0.09 0.00 -1.47 0.55 0.37 0.00 0.00 175.52 174.88 3gtg n VAL 622 N -4.23 0.81 -2.53 3.16 3.14 0.53 -0.35 118.33 118.86 3gtg n VAL 622 Ca -0.06 -0.63 -0.35 0.00 -2.96 0.00 0.00 64.34 60.35 3gtg n VAL 622 Cb 0.21 -0.46 -0.03 0.00 -1.06 0.00 0.00 33.84 32.50 3gtg n VAL 622 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3gtg s GLY 623 N -4.67 2.58 -0.56 7.55 0.00 0.43 -3.89 107.32 108.76 3gtg s GLY 623 Ca -0.04 0.64 -0.26 0.00 0.00 0.00 0.00 44.72 45.07 3gtg s GLY 623 CO 0.82 0.99 2.33 -1.35 0.00 0.00 0.00 173.10 175.90 3gtg s SER 624 N -1.85 4.47 0.22 1.64 1.04 -1.26 -4.70 113.70 113.25 3gtg s SER 624 Ca 0.65 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.89 3gtg s SER 624 Cb -0.18 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 3gtg s SER 624 CO 0.22 -2.97 0.06 -1.20 0.98 0.00 0.00 173.24 170.33 3gtg n SER 625 N 15.90 1.46 -0.06 7.02 7.64 -1.26 -4.96 113.62 139.36 3gtg n SER 625 Ca 0.36 -2.12 -0.21 0.00 1.01 0.00 0.00 58.87 57.91 3gtg n SER 625 Cb 0.53 0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 64.05 3gtg n SER 625 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3gtg n ASN 626 N -1.64 2.03 -0.22 6.43 5.15 -1.26 -4.27 115.26 121.48 3gtg n ASN 626 Ca -0.05 0.15 0.13 0.00 -0.60 0.00 0.00 54.58 54.21 3gtg n ASN 626 Cb 0.32 -0.74 0.37 0.00 -0.53 0.00 0.00 39.78 39.19 3gtg n ASN 626 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gtg n GLY 627 N 1.93 -0.67 3.57 8.20 0.00 -1.26 -4.79 105.19 112.16 3gtg n GLY 627 Ca -0.38 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3gtg n GLY 627 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gtg s GLY 628 N -2.54 1.55 0.33 -0.02 0.00 -1.26 -4.68 107.32 100.70 3gtg s GLY 628 Ca 0.23 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 44.70 3gtg s GLY 628 CO 0.53 0.39 1.90 -2.00 0.00 0.00 0.00 173.10 173.93 3gtg h LEU 629 N -2.33 0.77 -0.95 0.66 6.46 -0.99 -1.08 115.31 117.85 3gtg h LEU 629 Ca -0.59 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.13 3gtg h LEU 629 Cb 1.34 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3gtg h LEU 629 CO 0.54 0.46 -0.28 0.40 -0.62 0.00 0.00 178.44 178.94 3gtg h ILE 630 N 0.85 0.65 -0.02 4.05 5.03 -1.85 0.88 117.51 127.10 3gtg h ILE 630 Ca 0.40 -1.32 -0.06 0.00 -0.12 0.00 0.00 64.86 63.76 3gtg h ILE 630 Cb 0.40 1.87 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 3gtg h ILE 630 CO -0.16 0.28 -0.22 -0.74 -0.68 0.00 0.00 178.15 176.62 3gtg h HIS 631 N 0.00 0.26 -0.25 1.37 2.76 -1.52 -3.23 115.15 114.55 3gtg h HIS 631 Ca -0.00 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 3gtg h HIS 631 Cb 0.85 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3gtg h HIS 631 CO 0.00 0.88 0.13 0.28 -1.30 0.00 0.00 177.93 177.92 3gtg h VAL 632 N -0.43 1.13 -0.10 5.26 2.07 -1.03 -2.99 116.25 120.17 3gtg h VAL 632 Ca -0.02 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 3gtg h VAL 632 Cb 0.92 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3gtg h VAL 632 CO 0.04 0.13 -0.32 0.58 0.02 0.00 0.00 177.57 178.02 3gtg h VAL 633 N 0.28 1.26 0.06 2.57 2.07 -0.98 -2.36 116.25 119.15 3gtg h VAL 633 Ca 0.09 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3gtg h VAL 633 Cb 0.09 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3gtg h VAL 633 CO -0.01 0.37 -0.03 0.74 0.02 0.00 0.00 177.57 178.66 3gtg h THR 634 N 0.16 1.26 0.00 2.57 2.02 -1.55 -1.41 112.91 115.96 3gtg h THR 634 Ca 0.02 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 3gtg h THR 634 Cb 0.65 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3gtg h THR 634 CO 0.05 0.35 -0.11 0.03 0.37 0.00 0.00 175.52 176.21 3gtg h ARG 635 N -0.79 0.00 0.00 6.66 2.47 -1.55 -2.86 114.38 118.31 3gtg h ARG 635 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3gtg h ARG 635 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3gtg h ARG 635 CO 0.01 0.11 0.00 -1.91 0.56 0.00 0.00 179.97 178.74 3gtg n GLU 636 N -3.49 0.00 -0.08 0.04 4.07 -0.89 -4.81 120.64 115.48 3gtg n GLU 636 Ca -0.01 0.40 -0.13 0.00 -0.06 0.00 0.00 57.16 57.35 3gtg n GLU 636 Cb 0.25 -0.90 -0.09 0.00 -0.06 0.00 0.00 31.44 30.65 3gtg n GLU 636 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3gtg h LYS 637 N 0.00 0.00 0.00 5.31 1.79 -1.35 -3.51 116.57 118.81 3gtg h LYS 637 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gtg h LYS 637 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gtg h LYS 637 CO 0.00 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 3gtg n GLY 638 N 1.57 -0.48 0.13 3.86 0.00 -1.08 -4.85 105.19 104.34 3gtg n GLY 638 Ca -0.16 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3gtg n GLY 638 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gtg h PRO 639 N 0.00 -0.19 -0.29 1.61 0.11 -1.90 -3.18 132.00 128.16 3gtg h PRO 639 Ca 0.00 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.19 3gtg h PRO 639 Cb 0.00 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.07 3gtg h PRO 639 CO 0.00 0.26 -0.29 1.96 -0.21 0.00 0.00 178.00 179.71 3gtg h GLN 640 N -0.81 -0.27 -0.43 1.05 1.08 -1.92 0.76 115.11 114.56 3gtg h GLN 640 Ca -0.02 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 3gtg h GLN 640 Cb 0.54 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 3gtg h GLN 640 CO 0.03 -0.18 0.06 0.28 -0.95 0.00 0.00 178.83 178.07 3gtg h VAL 641 N -0.28 0.74 -0.54 -0.54 2.07 -1.89 0.52 116.25 116.33 3gtg h VAL 641 Ca 0.15 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3gtg h VAL 641 Cb 0.51 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gtg h VAL 641 CO -0.45 0.03 0.19 0.00 0.02 0.00 0.00 177.57 177.36 3gtg h ALA 643 N 1.04 1.04 -0.42 0.00 0.00 0.74 -1.51 119.26 120.15 3gtg h ALA 643 Ca 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3gtg h ALA 643 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gtg h ALA 643 CO -0.01 0.65 -0.05 -0.22 0.00 0.00 0.00 179.25 179.61 3gtg h LYS 644 N 1.05 0.71 -0.79 0.00 3.64 -0.49 -3.19 116.57 117.50 3gtg h LYS 644 Ca 0.23 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3gtg h LYS 644 Cb 0.31 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3gtg h LYS 644 CO -0.01 0.76 0.52 1.25 -2.27 0.00 0.00 179.45 179.71 3gtg h LEU 645 N 0.66 0.87 0.21 5.20 5.85 0.11 -3.11 115.31 125.10 3gtg h LEU 645 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gtg h LEU 645 Cb 0.49 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3gtg h LEU 645 CO 0.03 0.61 -0.38 -0.26 -0.34 0.00 0.00 178.44 178.10 3gtg h PHE 646 N 1.02 -1.07 0.04 1.25 -1.00 -1.34 -2.79 116.94 113.05 3gtg h PHE 646 Ca 0.30 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.10 3gtg h PHE 646 Cb -0.03 0.44 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3gtg h PHE 646 CO -0.00 -0.46 -0.02 0.78 -1.61 0.00 0.00 178.31 177.00 3gtg h GLY 647 N -0.63 -0.06 -0.95 -1.45 0.00 -1.73 -2.61 103.07 95.65 3gtg h GLY 647 Ca -0.02 0.02 0.26 0.00 0.00 0.00 0.00 47.33 47.59 3gtg h GLY 647 CO -0.13 -0.02 0.00 0.70 0.00 0.00 0.00 176.54 177.08 3gtg n ASN 648 N -5.10 -0.13 0.21 0.19 4.13 -1.18 0.33 115.26 113.71 3gtg n ASN 648 Ca -0.08 1.61 -0.09 0.00 1.68 0.00 0.00 54.58 57.70 3gtg n ASN 648 Cb 0.07 -0.58 -0.05 0.00 -1.54 0.00 0.00 39.78 37.68 3gtg n ASN 648 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3gtg h ILE 649 N 0.00 0.00 -0.33 2.41 2.04 -1.19 -2.47 117.51 117.97 3gtg h ILE 649 Ca 0.57 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.46 3gtg h ILE 649 Cb 1.15 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3gtg h ILE 649 CO -0.90 0.00 -0.27 1.56 0.00 0.00 0.00 178.15 178.54 3gtg h GLN 650 N -0.58 -0.10 -0.99 2.37 4.20 -0.64 0.37 115.11 119.74 3gtg h GLN 650 Ca -0.05 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.01 3gtg h GLN 650 Cb 0.47 0.02 -0.18 0.00 0.30 0.00 0.00 27.48 28.09 3gtg h GLN 650 CO 0.05 -0.06 0.32 0.87 -0.67 0.00 0.00 178.83 179.33 3gtg h LYS 651 N -0.10 0.03 -0.00 1.46 1.57 -0.17 1.04 116.57 120.40 3gtg h LYS 651 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3gtg h LYS 651 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gtg h LYS 651 CO -0.36 0.02 -0.03 0.28 -0.57 0.00 0.00 179.45 178.79 3gtg h VAL 652 N 0.04 1.59 0.57 0.50 2.07 -0.63 -3.18 116.25 117.20 3gtg h VAL 652 Ca 0.73 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 3gtg h VAL 652 Cb 1.74 2.77 0.01 0.00 -1.52 0.00 0.00 31.29 34.29 3gtg h VAL 652 CO -0.82 0.46 -0.27 0.58 0.02 0.00 0.00 177.57 177.54 3gtg h VAL 653 N -0.71 0.38 -0.82 2.57 2.07 0.31 -2.16 116.25 117.90 3gtg h VAL 653 Ca -0.00 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.39 3gtg h VAL 653 Cb 0.77 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 3gtg h VAL 653 CO 0.01 0.03 -0.38 0.59 0.02 0.00 0.00 177.57 177.84 3gtg n ASN 654 N -5.36 -0.65 0.20 0.57 3.02 0.32 -1.22 115.26 112.15 3gtg n ASN 654 Ca -0.12 1.44 -0.09 0.00 -0.03 0.00 0.00 54.58 55.77 3gtg n ASN 654 Cb 0.33 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 3gtg n ASN 654 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gtg h PHE 655 N 0.00 -0.65 -0.89 3.10 3.57 -1.49 0.39 116.94 120.97 3gtg h PHE 655 Ca 0.23 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.87 3gtg h PHE 655 Cb 0.44 0.23 -0.15 0.00 2.79 0.00 0.00 35.95 39.26 3gtg h PHE 655 CO -0.76 -0.35 -0.38 2.35 -2.23 0.00 0.00 178.31 176.94 3gtg h TRP 656 N -0.57 -1.07 -0.06 0.41 7.01 -0.84 0.14 115.95 120.96 3gtg h TRP 656 Ca -0.05 0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.09 3gtg h TRP 656 Cb 0.46 0.60 -0.06 0.00 -2.10 0.00 0.00 29.16 28.06 3gtg h TRP 656 CO -0.02 -0.40 -0.42 1.25 -2.79 0.00 0.00 178.44 176.06 3gtg h LEU 657 N -0.04 -1.31 -1.54 0.65 5.85 -0.97 -2.37 115.31 115.58 3gtg h LEU 657 Ca 0.31 0.16 0.38 0.00 0.84 0.00 0.00 57.88 59.58 3gtg h LEU 657 Cb 0.58 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 3gtg h LEU 657 CO -0.91 -0.44 0.84 0.25 -0.34 0.00 0.00 178.44 177.83 3gtg h LEU 658 N -0.54 0.25 -2.24 2.25 5.85 0.26 0.87 115.31 122.01 3gtg h LEU 658 Ca 0.06 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gtg h LEU 658 Cb 0.64 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3gtg h LEU 658 CO -0.36 -0.05 0.00 1.41 -0.34 0.00 0.00 178.44 179.10 3gtg n HIS 659 N -4.52 0.38 -0.06 1.25 8.25 -0.96 -4.30 115.22 115.25 3gtg n HIS 659 Ca 0.32 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3gtg n HIS 659 Cb 1.27 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.32 3gtg n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gtg n ASN 660 N 1.35 2.56 0.00 0.41 2.85 0.27 -5.09 115.26 117.61 3gtg n ASN 660 Ca 0.17 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 3gtg n ASN 660 Cb 0.57 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.36 3gtg n ASN 660 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gtg n GLY 661 N 2.75 -1.82 3.62 8.20 0.00 0.37 -5.09 105.19 113.22 3gtg n GLY 661 Ca -0.22 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3gtg n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtg s PHE 662 N -3.50 -0.61 0.02 1.61 5.36 -1.26 -5.07 117.98 114.54 3gtg s PHE 662 Ca 0.00 1.44 -0.00 0.00 -0.96 0.00 0.00 56.93 57.41 3gtg s PHE 662 Cb 0.00 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 3gtg s PHE 662 CO 0.00 -0.32 0.03 0.43 -1.46 0.00 0.00 175.22 173.90 3gtg n SER 663 N 2.22 -0.09 -3.72 6.13 7.64 -1.26 -5.17 113.62 119.37 3gtg n SER 663 Ca -0.13 -1.11 -0.16 0.00 1.01 0.00 0.00 58.87 58.48 3gtg n SER 663 Cb 0.56 0.16 -0.16 0.00 -1.01 0.00 0.00 64.21 63.76 3gtg n SER 663 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gtg s THR 664 N -2.52 -0.11 0.41 0.44 2.01 -1.26 -4.68 115.64 109.92 3gtg s THR 664 Ca 0.02 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.33 3gtg s THR 664 Cb -0.00 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 3gtg s THR 664 CO 0.01 0.11 0.03 -0.83 -0.69 0.00 0.00 174.62 173.25 3gtg s GLY 665 N 1.53 2.51 0.33 4.40 0.00 -1.26 -5.04 107.32 109.79 3gtg s GLY 665 Ca -0.04 -1.75 0.15 0.00 0.00 0.00 0.00 44.72 43.08 3gtg s GLY 665 CO -0.05 -2.02 1.67 -2.22 0.00 0.00 0.00 173.10 170.48 3gtg h ILE 666 N 1.78 1.12 0.00 0.90 5.03 -2.01 -1.48 117.51 122.85 3gtg h ILE 666 Ca -0.42 -1.82 0.00 0.00 -0.12 0.00 0.00 64.86 62.50 3gtg h ILE 666 Cb 1.26 2.05 0.00 0.00 -3.03 0.00 0.00 36.82 37.10 3gtg h ILE 666 CO 0.74 0.48 0.12 0.61 -0.68 0.00 0.00 178.15 179.42 3gtg n GLY 667 N 0.29 -0.60 0.08 5.37 0.00 -1.26 0.11 105.19 109.18 3gtg n GLY 667 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3gtg n GLY 667 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtg h ASP 668 N 0.00 0.00 -0.53 1.61 3.32 -1.68 -3.24 116.42 115.90 3gtg h ASP 668 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtg h ASP 668 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3gtg h ASP 668 CO 0.00 0.91 0.00 0.35 -1.72 0.00 0.00 179.24 178.78 3gtg n THR 669 N -3.35 2.29 -2.21 0.35 -2.24 0.12 -4.80 114.28 104.43 3gtg n THR 669 Ca 0.00 -1.41 -0.17 0.00 -2.27 0.00 0.00 64.05 60.20 3gtg n THR 669 Cb 0.90 -0.10 0.10 0.00 -2.10 0.00 0.00 70.33 69.12 3gtg n THR 669 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3gtg n ILE 670 N 0.57 0.00 -3.59 2.28 2.08 -1.06 -4.38 119.36 115.26 3gtg n ILE 670 Ca 0.25 -0.92 -0.17 0.00 0.56 0.00 0.00 62.75 62.48 3gtg n ILE 670 Cb 1.01 -1.25 -0.07 0.00 -0.75 0.00 0.00 39.64 38.58 3gtg n ILE 670 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtg s ALA 671 N -3.33 -1.53 0.01 -1.39 0.00 -1.26 -5.00 121.76 109.25 3gtg s ALA 671 Ca 0.46 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.31 3gtg s ALA 671 Cb -0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 23.12 22.90 3gtg s ALA 671 CO 0.31 -0.34 0.65 -0.25 0.00 0.00 0.00 175.76 176.13 3gtg n ASP 672 N 1.16 -0.06 -0.06 0.00 9.92 -1.26 -4.67 116.55 121.59 3gtg n ASP 672 Ca -0.19 0.73 -0.13 0.00 -0.53 0.00 0.00 54.79 54.67 3gtg n ASP 672 Cb 0.57 -0.58 -0.09 0.00 -0.64 0.00 0.00 41.12 40.38 3gtg n ASP 672 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3gtg h GLY 673 N 1.81 -1.15 2.00 0.44 0.00 -2.01 0.32 103.07 104.48 3gtg h GLY 673 Ca -0.31 0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3gtg h GLY 673 CO 0.41 -0.23 -0.04 -2.55 0.00 0.00 0.00 176.54 174.12 3gtg h PRO 674 N -0.43 0.00 -0.09 4.80 0.11 -2.01 -1.10 132.00 133.28 3gtg h PRO 674 Ca 0.04 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3gtg h PRO 674 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3gtg h PRO 674 CO -0.44 0.04 -0.26 1.15 -0.21 0.00 0.00 178.00 178.28 3gtg h THR 675 N 0.00 1.40 0.26 -1.15 2.02 -1.61 -3.16 112.91 110.68 3gtg h THR 675 Ca -0.00 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 3gtg h THR 675 Cb 0.22 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3gtg h THR 675 CO 0.01 0.46 -0.46 0.24 0.37 0.00 0.00 175.52 176.14 3gtg h MET 676 N -0.12 -0.75 -0.93 6.66 2.86 0.87 -1.08 114.93 122.43 3gtg h MET 676 Ca -0.01 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 57.87 3gtg h MET 676 Cb 0.88 0.17 -0.18 0.00 0.06 0.00 0.00 31.60 32.54 3gtg h MET 676 CO 0.06 -0.50 -0.24 -2.13 1.06 0.00 0.00 176.91 175.16 3gtg n ARG 677 N -5.16 -0.09 -0.25 1.72 0.63 -0.91 -0.41 116.66 112.19 3gtg n ARG 677 Ca -0.09 1.46 -0.03 0.00 -0.92 0.00 0.00 57.85 58.26 3gtg n ARG 677 Cb 0.39 -2.17 0.14 0.00 0.45 0.00 0.00 32.46 31.27 3gtg n ARG 677 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3gtg h GLU 678 N 0.00 1.09 0.74 -0.14 4.81 -1.20 0.30 114.58 120.18 3gtg h GLU 678 Ca 0.45 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3gtg h GLU 678 Cb 0.68 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3gtg h GLU 678 CO -0.96 0.84 -0.36 0.82 -0.73 0.00 0.00 179.01 178.62 3gtg h ILE 679 N 1.09 0.23 -0.81 2.32 2.04 0.41 -0.98 117.51 121.80 3gtg h ILE 679 Ca 0.26 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3gtg h ILE 679 Cb 0.10 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3gtg h ILE 679 CO -0.03 0.01 0.49 0.74 0.00 0.00 0.00 178.15 179.35 3gtg h THR 680 N -1.07 1.23 0.00 -0.27 2.02 -1.21 0.49 112.91 114.10 3gtg h THR 680 Ca -0.10 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3gtg h THR 680 Cb 0.78 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3gtg h THR 680 CO 0.17 0.24 0.00 -1.84 0.37 0.00 0.00 175.52 174.46 3gtg n GLU 681 N -4.45 0.27 -0.01 6.66 0.28 0.10 0.96 120.64 124.46 3gtg n GLU 681 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3gtg n GLU 681 Cb 0.06 -1.42 0.01 0.00 1.43 0.00 0.00 31.44 31.52 3gtg n GLU 681 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3gtg n THR 682 N -0.92 0.44 0.66 3.84 5.66 0.16 -4.02 114.28 120.10 3gtg n THR 682 Ca 0.05 -0.72 0.07 0.00 -3.05 0.00 0.00 64.05 60.41 3gtg n THR 682 Cb 0.03 0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 3gtg n THR 682 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3gtg n ILE 683 N -0.16 0.00 0.08 1.09 2.08 0.13 -4.08 119.36 118.50 3gtg n ILE 683 Ca 0.01 -0.28 -0.10 0.00 0.56 0.00 0.00 62.75 62.94 3gtg n ILE 683 Cb 0.13 1.10 -0.07 0.00 -0.75 0.00 0.00 39.64 40.06 3gtg n ILE 683 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtg h ALA 684 N 2.34 -0.29 0.00 -1.39 0.00 0.43 -2.99 119.26 117.36 3gtg h ALA 684 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gtg h ALA 684 Cb 0.43 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gtg h ALA 684 CO 0.00 -0.35 -0.17 1.05 0.00 0.00 0.00 179.25 179.79 3gtg h GLU 685 N -0.92 0.00 -0.16 0.00 4.11 -1.81 -1.94 114.58 113.85 3gtg h GLU 685 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3gtg h GLU 685 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3gtg h GLU 685 CO 0.05 0.17 0.00 0.00 0.07 0.00 0.00 179.01 179.29 3gtg n ALA 686 N -2.15 2.52 -0.08 1.06 0.00 -1.26 -1.70 120.51 118.91 3gtg n ALA 686 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 3gtg n ALA 686 Cb 0.56 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 3gtg n ALA 686 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gtg n LYS 687 N 0.19 0.73 0.15 0.00 4.81 -1.12 -4.58 118.16 118.34 3gtg n LYS 687 Ca 0.15 0.08 0.13 0.00 -0.87 0.00 0.00 58.31 57.80 3gtg n LYS 687 Cb 0.28 -1.34 0.45 0.00 0.02 0.00 0.00 35.03 34.45 3gtg n LYS 687 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3gtg h LYS 688 N 0.00 0.00 -0.04 1.64 3.11 -1.33 -1.77 116.57 118.18 3gtg h LYS 688 Ca -0.38 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.31 3gtg h LYS 688 Cb 1.64 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.86 3gtg h LYS 688 CO -0.04 0.00 -0.69 -0.22 -2.81 0.00 0.00 179.45 175.69 3gtg h LYS 689 N 0.00 0.18 -0.21 1.90 3.64 -1.58 -3.19 116.57 117.31 3gtg h LYS 689 Ca 0.00 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3gtg h LYS 689 Cb 0.58 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3gtg h LYS 689 CO 0.00 0.79 -0.06 0.28 -2.27 0.00 0.00 179.45 178.19 3gtg h VAL 690 N 0.12 1.29 0.00 2.00 2.07 -1.58 -2.73 116.25 117.43 3gtg h VAL 690 Ca -0.02 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3gtg h VAL 690 Cb 1.22 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3gtg h VAL 690 CO 0.10 0.33 0.14 0.25 0.02 0.00 0.00 177.57 178.41 3gtg h LEU 691 N 0.14 0.00 0.08 2.57 5.85 -1.56 0.49 115.31 122.88 3gtg h LEU 691 Ca 0.05 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.46 3gtg h LEU 691 Cb 0.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3gtg h LEU 691 CO 0.02 0.00 -1.73 0.47 -0.34 0.00 0.00 178.44 176.86 3gtg n ASP 692 N -2.40 2.03 0.05 1.25 8.00 -1.07 -2.78 116.55 121.62 3gtg n ASP 692 Ca -0.02 0.29 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 3gtg n ASP 692 Cb 0.17 -0.90 0.27 0.00 -0.02 0.00 0.00 41.12 40.64 3gtg n ASP 692 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3gtg h VAL 693 N -0.35 1.24 -0.53 2.53 2.07 -1.18 -0.89 116.25 119.14 3gtg h VAL 693 Ca -0.40 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3gtg h VAL 693 Cb 1.75 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3gtg h VAL 693 CO -0.03 0.35 0.33 0.74 0.02 0.00 0.00 177.57 178.98 3gtg h THR 694 N 0.36 1.15 -0.02 2.57 2.02 -1.06 -1.35 112.91 116.57 3gtg h THR 694 Ca 0.06 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3gtg h THR 694 Cb 0.56 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3gtg h THR 694 CO 0.04 0.15 0.00 1.17 0.37 0.00 0.00 175.52 177.25 3gtg n LYS 695 N -4.69 1.14 -0.05 6.66 4.81 -1.00 -1.48 118.16 123.55 3gtg n LYS 695 Ca 0.03 -0.21 -0.04 0.00 -0.87 0.00 0.00 58.31 57.21 3gtg n LYS 695 Cb 0.04 -1.37 -0.01 0.00 0.02 0.00 0.00 35.03 33.71 3gtg n LYS 695 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3gtg n GLU 696 N -0.62 0.33 -0.08 1.64 2.13 -0.37 -4.25 120.64 119.41 3gtg n GLU 696 Ca 0.17 0.36 0.25 0.00 0.66 0.00 0.00 57.16 58.60 3gtg n GLU 696 Cb 0.13 -1.33 0.72 0.00 0.27 0.00 0.00 31.44 31.23 3gtg n GLU 696 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtg h ALA 697 N -1.30 2.59 0.00 4.31 0.00 -1.16 0.25 119.26 123.95 3gtg h ALA 697 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3gtg h ALA 697 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gtg h ALA 697 CO 0.00 -0.94 -0.25 1.96 0.00 0.00 0.00 179.25 180.02 3gtg h GLN 698 N 0.00 0.00 -0.70 0.00 4.20 -1.49 -2.80 115.11 114.33 3gtg h GLN 698 Ca 0.34 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.66 3gtg h GLN 698 Cb 1.48 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 29.04 3gtg h GLN 698 CO -0.00 0.25 0.27 0.00 -0.67 0.00 0.00 178.83 178.68 3gtg n ALA 699 N -2.17 5.08 -3.68 3.87 0.00 0.82 -5.01 120.51 119.42 3gtg n ALA 699 Ca 0.03 -3.12 -0.25 0.00 0.00 0.00 0.00 53.44 50.10 3gtg n ALA 699 Cb 0.60 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.95 3gtg n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gtg n ASN 700 N -1.10 -3.10 -0.03 0.00 5.15 -0.91 -4.87 115.26 110.39 3gtg n ASN 700 Ca 0.48 -0.80 -0.04 0.00 -0.60 0.00 0.00 54.58 53.62 3gtg n ASN 700 Cb 1.26 -1.10 -0.05 0.00 -0.53 0.00 0.00 39.78 39.36 3gtg n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3gtg n LEU 701 N -2.86 1.03 -4.42 1.20 4.77 -1.20 -4.99 117.00 110.53 3gtg n LEU 701 Ca -0.16 -0.02 -0.54 0.00 -0.03 0.00 0.00 56.01 55.27 3gtg n LEU 701 Cb 0.44 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3gtg n LEU 701 CO 0.48 0.32 1.73 -0.11 -1.33 0.00 0.00 177.39 178.49 3gtg n LEU 702 N -2.41 1.77 -4.77 2.23 -0.00 -1.26 -4.90 117.00 107.65 3gtg n LEU 702 Ca -0.12 0.55 -0.38 0.00 -0.00 0.00 0.00 56.01 56.06 3gtg n LEU 702 Cb 0.69 -1.15 -0.06 0.00 -0.00 0.00 0.00 43.42 42.90 3gtg n LEU 702 CO 0.12 -0.71 0.19 -0.89 -0.00 0.00 0.00 177.39 176.09 3gtg s THR 703 N 6.58 5.05 0.16 1.96 2.01 -1.26 -4.96 115.64 125.18 3gtg s THR 703 Ca 1.11 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.82 3gtg s THR 703 Cb -1.06 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 67.56 3gtg s THR 703 CO 0.55 0.43 1.17 0.00 -0.69 0.00 0.00 174.62 176.09 3gtg s ALA 704 N -0.15 3.41 0.11 7.40 0.00 -1.26 -4.99 121.76 126.28 3gtg s ALA 704 Ca 0.27 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3gtg s ALA 704 Cb -0.17 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 3gtg s ALA 704 CO 0.13 -0.34 1.39 0.15 0.00 0.00 0.00 175.76 177.09 3gtg s LYS 705 N -0.07 4.32 -0.10 0.00 1.02 -1.26 -4.92 119.74 118.73 3gtg s LYS 705 Ca 0.53 2.07 -0.39 0.00 0.02 0.00 0.00 55.97 58.20 3gtg s LYS 705 Cb -0.31 -3.25 -0.16 0.00 -0.52 0.00 0.00 37.83 33.59 3gtg s LYS 705 CO 0.35 -0.43 1.54 1.58 -0.92 0.00 0.00 175.35 177.46 3gtg n HIS 706 N 3.95 1.76 0.00 3.18 -0.00 -1.26 -1.61 115.22 121.24 3gtg n HIS 706 Ca 0.11 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 3gtg n HIS 706 Cb 0.42 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 3gtg n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gtg n GLY 707 N 3.34 2.27 3.59 1.57 0.00 -1.26 -4.91 105.19 109.79 3gtg n GLY 707 Ca 0.23 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3gtg n GLY 707 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3gtg s MET 708 N 0.00 2.14 0.84 1.61 0.00 -0.63 -4.83 119.30 118.43 3gtg s MET 708 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 55.69 54.38 3gtg s MET 708 Cb 0.00 -2.23 0.07 0.00 0.00 0.00 0.00 34.83 32.67 3gtg s MET 708 CO 0.00 0.46 0.96 2.41 0.00 0.00 0.00 175.02 178.85 3gtg n THR 709 N 0.18 1.29 0.14 3.16 -1.04 -1.26 -4.51 114.28 112.24 3gtg n THR 709 Ca -0.11 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.05 61.63 3gtg n THR 709 Cb 0.55 -1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.02 3gtg n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3gtg h LEU 710 N -1.12 -0.46 -1.51 -4.42 4.07 -1.97 -1.75 115.31 108.15 3gtg h LEU 710 Ca -0.45 0.03 0.43 0.00 0.08 0.00 0.00 57.88 57.97 3gtg h LEU 710 Cb 1.30 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 43.06 3gtg h LEU 710 CO 0.42 -0.26 0.90 0.03 -1.08 0.00 0.00 178.44 178.45 3gtg h ARG 711 N -0.41 0.09 0.06 1.13 3.08 -1.99 -0.00 114.38 116.34 3gtg h ARG 711 Ca -0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3gtg h ARG 711 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3gtg h ARG 711 CO 0.02 0.06 -0.03 0.93 -1.07 0.00 0.00 179.97 179.89 3gtg h GLU 712 N 0.10 -0.08 -0.91 0.04 5.08 -1.86 0.15 114.58 117.10 3gtg h GLU 712 Ca 0.80 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 59.24 3gtg h GLU 712 Cb 2.59 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.79 3gtg h GLU 712 CO -0.33 0.35 0.57 0.66 -1.00 0.00 0.00 179.01 179.25 3gtg h SER 713 N -0.53 0.88 0.73 1.42 4.64 -0.10 0.24 113.55 120.83 3gtg h SER 713 Ca -0.01 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3gtg h SER 713 Cb 0.46 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gtg h SER 713 CO 0.01 0.54 -0.43 0.15 -0.87 0.00 0.00 176.83 176.24 3gtg h PHE 714 N 1.01 -1.13 -0.81 4.77 3.57 -1.37 0.40 116.94 123.37 3gtg h PHE 714 Ca 0.41 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.03 3gtg h PHE 714 Cb 0.24 0.40 -0.14 0.00 2.79 0.00 0.00 35.95 39.24 3gtg h PHE 714 CO -0.02 -0.65 -0.34 0.93 -2.23 0.00 0.00 178.31 176.00 3gtg h GLU 715 N -1.08 -0.06 0.67 1.11 4.39 0.35 0.32 114.58 120.28 3gtg h GLU 715 Ca -0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3gtg h GLU 715 Cb 0.85 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3gtg h GLU 715 CO 0.11 -0.04 -0.41 0.22 -1.16 0.00 0.00 179.01 177.73 3gtg h ASP 716 N -0.07 -1.03 -0.61 1.42 1.82 -0.48 -2.80 116.42 114.67 3gtg h ASP 716 Ca 0.31 0.06 0.12 0.00 -0.39 0.00 0.00 57.03 57.13 3gtg h ASP 716 Cb 0.58 0.30 -0.12 0.00 0.68 0.00 0.00 39.33 40.78 3gtg h ASP 716 CO -0.85 -0.63 -0.16 0.59 -1.61 0.00 0.00 179.24 176.58 3gtg n ASN 717 N -4.99 -0.23 0.26 2.28 3.02 0.14 -1.89 115.26 113.84 3gtg n ASN 717 Ca -0.12 1.06 -0.13 0.00 -0.03 0.00 0.00 54.58 55.35 3gtg n ASN 717 Cb 0.42 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3gtg n ASN 717 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gtg h VAL 718 N 0.00 0.24 -0.54 2.41 2.07 -1.21 -2.95 116.25 116.28 3gtg h VAL 718 Ca 0.29 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.43 3gtg h VAL 718 Cb 0.44 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 3gtg h VAL 718 CO -0.63 0.04 -0.16 0.52 0.02 0.00 0.00 177.57 177.36 3gtg n VAL 719 N -5.26 -0.25 0.33 2.57 0.31 -0.79 -0.06 118.33 115.19 3gtg n VAL 719 Ca -0.10 1.24 -0.13 0.00 -0.01 0.00 0.00 64.34 65.34 3gtg n VAL 719 Cb 0.31 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 3gtg n VAL 719 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3gtg h ARG 720 N 0.00 -0.83 -1.49 5.55 3.08 -1.67 -1.56 114.38 117.47 3gtg h ARG 720 Ca 0.23 0.06 0.43 0.00 0.07 0.00 0.00 59.98 60.77 3gtg h ARG 720 Cb 0.37 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3gtg h ARG 720 CO -0.55 -0.55 1.29 0.74 -1.07 0.00 0.00 179.97 179.84 3gtg h PHE 721 N -1.06 0.00 0.03 3.04 0.05 -0.28 0.41 116.94 119.14 3gtg h PHE 721 Ca -0.09 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 61.42 3gtg h PHE 721 Cb 0.66 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.58 3gtg h PHE 721 CO 0.03 0.00 -1.52 1.28 -0.18 0.00 0.00 178.31 177.92 3gtg n LEU 722 N -3.62 2.08 0.18 1.54 4.77 -0.57 -3.08 117.00 118.30 3gtg n LEU 722 Ca 0.33 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.52 3gtg n LEU 722 Cb 1.75 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 3gtg n LEU 722 CO 0.35 0.45 0.52 0.78 -1.33 0.00 0.00 177.39 178.15 3gtg h ASN 723 N -0.71 -1.29 -0.56 -1.43 2.35 0.15 -1.80 115.58 112.30 3gtg h ASN 723 Ca -0.39 0.12 0.16 0.00 -0.55 0.00 0.00 56.30 55.64 3gtg h ASN 723 Cb 1.52 0.45 -0.02 0.00 0.05 0.00 0.00 38.32 40.31 3gtg h ASN 723 CO -0.14 -0.53 0.64 -0.33 -1.65 0.00 0.00 177.43 175.42 3gtg h GLU 724 N -0.77 0.00 -0.03 0.81 5.08 -0.50 0.39 114.58 119.56 3gtg h GLU 724 Ca -0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 3gtg h GLU 724 Cb 0.71 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.98 3gtg h GLU 724 CO -0.14 0.00 -0.98 0.00 -1.00 0.00 0.00 179.01 176.89 3gtg h ALA 725 N 1.23 0.16 -0.34 3.43 0.00 -1.35 -2.80 119.26 119.60 3gtg h ALA 725 Ca 0.26 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3gtg h ALA 725 Cb 1.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3gtg h ALA 725 CO -0.00 0.67 -0.21 -0.09 0.00 0.00 0.00 179.25 179.62 3gtg h ARG 726 N 0.41 0.64 0.20 0.00 2.43 0.60 0.18 114.38 118.84 3gtg h ARG 726 Ca -0.11 -0.24 -0.33 0.00 -0.81 0.00 0.00 59.98 58.49 3gtg h ARG 726 Cb 1.63 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 31.16 3gtg h ARG 726 CO 0.19 0.81 -1.56 -0.44 -1.51 0.00 0.00 179.97 177.46 3gtg h ASP 727 N 0.57 0.65 -0.21 -3.80 3.32 -1.52 2.98 116.42 118.41 3gtg h ASP 727 Ca 0.09 -0.81 0.02 0.00 0.02 0.00 0.00 57.03 56.35 3gtg h ASP 727 Cb 0.67 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3gtg h ASP 727 CO 0.05 1.66 0.06 0.50 -1.72 0.00 0.00 179.24 179.78 3gtg h LYS 728 N 0.11 0.14 0.00 3.56 1.63 -1.42 0.58 116.57 121.18 3gtg h LYS 728 Ca -0.27 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.39 3gtg h LYS 728 Cb 2.10 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.68 3gtg h LYS 728 CO 0.22 0.10 -0.63 0.00 -3.45 0.00 0.00 179.45 175.69 3gtg h ALA 729 N 1.14 0.67 -1.29 5.00 0.00 -0.64 -2.97 119.26 121.16 3gtg h ALA 729 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gtg h ALA 729 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gtg h ALA 729 CO -0.11 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3gtg n GLY 730 N 0.98 -2.73 0.00 0.00 0.00 0.99 -2.55 105.19 101.88 3gtg n GLY 730 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3gtg n GLY 730 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtg n ARG 731 N -1.43 0.03 0.10 1.61 1.74 0.20 0.21 116.66 119.12 3gtg n ARG 731 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3gtg n ARG 731 Cb 0.00 -1.18 0.35 0.00 -1.02 0.00 0.00 32.46 30.61 3gtg n ARG 731 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gtg n LEU 732 N -0.68 0.80 0.02 0.55 4.77 -1.06 -3.55 117.00 117.85 3gtg n LEU 732 Ca 0.00 0.50 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 3gtg n LEU 732 Cb 0.00 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 3gtg n LEU 732 CO 0.00 -0.16 -0.39 0.00 -1.33 0.00 0.00 177.39 175.51 3gtg h ALA 733 N 2.51 0.15 0.00 -1.18 0.00 0.24 -3.20 119.26 117.79 3gtg h ALA 733 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3gtg h ALA 733 Cb 0.74 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gtg h ALA 733 CO 0.00 0.80 0.00 -1.91 0.00 0.00 0.00 179.25 178.14 3gtg n GLU 734 N -3.92 0.50 -0.09 0.00 2.13 -1.23 -1.00 120.64 117.03 3gtg n GLU 734 Ca -0.24 0.02 -0.14 0.00 0.66 0.00 0.00 57.16 57.46 3gtg n GLU 734 Cb 0.90 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.97 3gtg n GLU 734 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3gtg n VAL 735 N -1.05 1.50 1.17 6.31 3.14 -1.23 -4.54 118.33 123.63 3gtg n VAL 735 Ca 0.12 -0.73 0.14 0.00 -2.96 0.00 0.00 64.34 60.91 3gtg n VAL 735 Cb 0.07 -1.00 0.58 0.00 -1.06 0.00 0.00 33.84 32.43 3gtg n VAL 735 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3gtg n ASN 736 N -3.04 0.19 -4.78 6.55 5.15 -0.17 -4.82 115.26 114.34 3gtg n ASN 736 Ca -0.35 0.02 -0.36 0.00 -0.60 0.00 0.00 54.58 53.29 3gtg n ASN 736 Cb 1.08 -0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 40.06 3gtg n ASN 736 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gtg s LEU 737 N -2.81 4.05 0.45 1.20 1.43 -0.20 -4.75 118.68 118.05 3gtg s LEU 737 Ca 0.19 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3gtg s LEU 737 Cb 0.19 -4.29 -0.00 0.00 0.03 0.00 0.00 46.19 42.12 3gtg s LEU 737 CO 0.54 -0.61 0.66 -0.54 0.23 0.00 0.00 176.35 176.63 3gtg s LYS 738 N -2.71 3.02 0.42 1.70 1.02 -1.26 -5.00 119.74 116.94 3gtg s LYS 738 Ca 0.61 -0.55 0.23 0.00 0.02 0.00 0.00 55.97 56.27 3gtg s LYS 738 Cb -0.21 -2.57 0.76 0.00 -0.52 0.00 0.00 37.83 35.29 3gtg s LYS 738 CO 0.26 -0.28 1.76 -0.44 -0.92 0.00 0.00 175.35 175.73 3gtg h ASP 739 N 0.41 0.00 -0.27 2.83 5.19 -1.99 -2.96 116.42 119.63 3gtg h ASP 739 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3gtg h ASP 739 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3gtg h ASP 739 CO 0.56 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 3gtg n LEU 740 N -3.32 1.85 -4.55 1.55 -0.00 -1.26 -4.79 117.00 106.47 3gtg n LEU 740 Ca 0.01 -0.85 -0.41 0.00 -0.00 0.00 0.00 56.01 54.76 3gtg n LEU 740 Cb 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.69 3gtg n LEU 740 CO 0.34 0.43 1.29 0.21 -0.00 0.00 0.00 177.39 179.66 3gtg s ASN 741 N -1.30 6.27 0.18 1.45 2.47 -1.12 -4.90 114.94 118.00 3gtg s ASN 741 Ca 0.29 -0.82 0.06 0.00 0.42 0.00 0.00 52.86 52.81 3gtg s ASN 741 Cb 0.15 -2.56 0.57 0.00 -1.45 0.00 0.00 41.25 37.96 3gtg s ASN 741 CO 0.22 -1.73 0.84 0.59 -3.72 0.00 0.00 177.10 173.30 3gtg n ASN 742 N 9.26 0.06 0.21 -4.21 5.03 -1.26 -0.15 115.26 124.20 3gtg n ASN 742 Ca 0.15 0.90 -0.14 0.00 0.87 0.00 0.00 54.58 56.36 3gtg n ASN 742 Cb 0.50 -0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 38.80 3gtg n ASN 742 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3gtg h VAL 743 N 0.00 0.53 -0.77 2.41 2.07 -1.87 -2.34 116.25 116.29 3gtg h VAL 743 Ca 0.39 -0.49 0.21 0.00 0.82 0.00 0.00 66.70 67.63 3gtg h VAL 743 Cb 0.94 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3gtg h VAL 743 CO -0.46 0.08 0.54 0.50 0.02 0.00 0.00 177.57 178.25 3gtg h LYS 744 N -0.86 0.10 -0.00 1.57 3.64 -0.89 -1.77 116.57 118.36 3gtg h LYS 744 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3gtg h LYS 744 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3gtg h LYS 744 CO 0.09 0.07 -0.09 1.04 -2.27 0.00 0.00 179.45 178.29 3gtg n GLN 745 N -4.36 0.47 -0.09 1.90 6.02 -0.53 -0.12 117.38 120.67 3gtg n GLN 745 Ca 0.15 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 3gtg n GLN 745 Cb 0.77 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.37 3gtg n GLN 745 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3gtg n MET 746 N -1.17 0.68 0.19 -1.09 2.81 -0.70 -4.01 117.12 113.83 3gtg n MET 746 Ca 0.13 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.95 3gtg n MET 746 Cb 0.28 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 3gtg n MET 746 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3gtg h VAL 747 N 0.00 0.00 -1.54 2.03 2.07 -1.23 0.41 116.25 117.99 3gtg h VAL 747 Ca -0.49 -0.12 0.46 0.00 0.82 0.00 0.00 66.70 67.37 3gtg h VAL 747 Cb 2.15 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 3gtg h VAL 747 CO 0.03 0.00 1.07 0.24 0.02 0.00 0.00 177.57 178.93 3gtg h MET 748 N -0.61 0.05 0.12 1.57 2.07 -0.74 0.16 114.93 117.54 3gtg h MET 748 Ca -0.05 -0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.28 3gtg h MET 748 Cb 0.37 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 3gtg h MET 748 CO 0.08 0.03 -1.51 0.00 1.07 0.00 0.00 176.91 176.58 3gtg h ALA 749 N 1.33 0.21 -0.41 6.32 0.00 -1.68 -3.48 119.26 121.56 3gtg h ALA 749 Ca 0.80 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gtg h ALA 749 Cb 2.93 0.52 0.00 0.00 0.00 0.00 0.00 17.79 21.24 3gtg h ALA 749 CO -0.17 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3gtg n GLY 750 N 1.77 0.91 0.06 0.00 0.00 0.13 -3.53 105.19 104.53 3gtg n GLY 750 Ca -0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 3gtg n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gtg h SER 751 N 0.00 0.00 -3.64 1.61 4.64 -1.53 -3.47 113.55 111.16 3gtg h SER 751 Ca 0.00 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 3gtg h SER 751 Cb 0.35 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.16 3gtg h SER 751 CO 0.00 0.59 -0.54 -0.54 -0.87 0.00 0.00 176.83 175.47 3gtg s LYS 752 N -1.71 0.17 0.00 4.77 -0.14 -1.26 -4.44 119.74 117.13 3gtg s LYS 752 Ca -0.04 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.87 3gtg s LYS 752 Cb 0.00 -0.00 0.00 0.00 -1.68 0.00 0.00 37.83 36.15 3gtg s LYS 752 CO 0.09 -0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.02 3gtg n GLY 753 N 3.46 -0.83 0.00 -3.33 0.00 -1.26 -4.45 105.19 98.78 3gtg n GLY 753 Ca -0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3gtg n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtg n SER 754 N -0.58 1.69 0.43 1.61 3.41 -1.26 -4.41 113.62 114.52 3gtg n SER 754 Ca 0.00 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.34 3gtg n SER 754 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3gtg n SER 754 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gtg h PHE 755 N 0.06 -1.31 -0.71 7.33 3.57 -2.00 -3.21 116.94 120.68 3gtg h PHE 755 Ca 0.00 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.64 3gtg h PHE 755 Cb 0.00 0.47 -0.14 0.00 2.79 0.00 0.00 35.95 39.07 3gtg h PHE 755 CO 0.00 -0.73 -0.16 1.51 -2.23 0.00 0.00 178.31 176.70 3gtg n ILE 756 N -5.57 -0.30 -0.01 1.41 0.13 -1.26 -0.25 119.36 113.51 3gtg n ILE 756 Ca -0.15 1.62 -0.09 0.00 -1.10 0.00 0.00 62.75 63.03 3gtg n ILE 756 Cb 0.50 -2.26 -0.03 0.00 -0.84 0.00 0.00 39.64 37.01 3gtg n ILE 756 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 3gtg h ASN 757 N 0.00 -0.58 -0.29 9.51 4.21 -1.96 -2.34 115.58 124.13 3gtg h ASN 757 Ca 0.35 0.10 0.04 0.00 1.21 0.00 0.00 56.30 58.00 3gtg h ASN 757 Cb 0.56 0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 37.97 3gtg h ASN 757 CO -0.73 -0.23 -0.46 0.40 -1.29 0.00 0.00 177.43 175.12 3gtg h ILE 758 N -0.23 0.00 -0.52 2.81 1.08 -0.69 -2.32 117.51 117.64 3gtg h ILE 758 Ca 0.10 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.59 3gtg h ILE 758 Cb 0.38 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 3gtg h ILE 758 CO -0.28 0.00 0.33 0.00 -0.69 0.00 0.00 178.15 177.51 3gtg h ALA 759 N -0.32 0.66 -0.58 1.87 0.00 -1.35 0.24 119.26 119.78 3gtg h ALA 759 Ca 0.05 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3gtg h ALA 759 Cb 0.50 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3gtg h ALA 759 CO -0.46 0.06 0.03 1.96 0.00 0.00 0.00 179.25 180.84 3gtg h GLN 760 N 0.66 0.14 0.36 0.00 1.08 -1.41 0.34 115.11 116.28 3gtg h GLN 760 Ca 0.20 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3gtg h GLN 760 Cb -0.03 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3gtg h GLN 760 CO -0.07 0.09 -0.17 0.52 -0.95 0.00 0.00 178.83 178.26 3gtg h MET 761 N 0.15 -0.46 -0.00 1.46 2.86 -0.52 -2.53 114.93 115.88 3gtg h MET 761 Ca 0.30 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3gtg h MET 761 Cb 0.48 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3gtg h MET 761 CO -0.47 -0.18 -0.76 0.43 1.06 0.00 0.00 176.91 176.99 3gtg n SER 762 N -5.11 1.21 0.10 1.22 7.64 -0.09 -2.70 113.62 115.89 3gtg n SER 762 Ca -0.08 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.77 3gtg n SER 762 Cb 0.26 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 3gtg n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtg n ALA 763 N -1.07 3.00 -3.52 -0.43 0.00 -0.21 -4.86 120.51 113.42 3gtg n ALA 763 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gtg n ALA 763 Cb 0.37 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 3gtg n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg n VAL 765 N 4.15 0.00 -4.51 0.00 0.24 -1.23 -3.69 118.33 113.29 3gtg n VAL 765 Ca -0.14 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3gtg n VAL 765 Cb 0.55 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 3gtg n VAL 765 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gtg n GLY 766 N 1.34 -0.74 3.88 7.63 0.00 -1.19 -4.90 105.19 111.20 3gtg n GLY 766 Ca 0.12 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3gtg n GLY 766 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtg s GLN 767 N 0.00 3.77 0.50 1.61 -0.21 -1.26 -0.98 119.66 123.09 3gtg s GLN 767 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.73 3gtg s GLN 767 Cb 0.00 -2.50 0.10 0.00 1.00 0.00 0.00 33.01 31.61 3gtg s GLN 767 CO 0.00 0.11 0.69 1.04 -2.12 0.00 0.00 175.29 175.01 3gtg n GLN 768 N -0.91 0.20 0.00 2.91 3.00 -0.10 -4.96 117.38 117.51 3gtg n GLN 768 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 3gtg n GLN 768 Cb 0.54 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 30.35 3gtg n GLN 768 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3gtg n SER 769 N -2.87 0.77 0.00 1.08 2.88 -1.26 -4.65 113.62 109.57 3gtg n SER 769 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3gtg n SER 769 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3gtg n SER 769 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3gtg n VAL 770 N 0.00 0.00 -1.19 2.46 0.31 -1.25 -4.61 118.33 114.05 3gtg n VAL 770 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3gtg n VAL 770 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3gtg n VAL 770 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gtg n GLU 771 N 0.00 -1.70 0.00 5.55 4.71 -1.26 -2.22 120.64 125.72 3gtg n GLU 771 Ca 0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.90 3gtg n GLU 771 Cb 0.00 -5.04 0.00 0.00 -1.01 0.00 0.00 31.44 25.39 3gtg n GLU 771 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gtg n GLY 772 N 0.27 2.92 3.90 0.62 0.00 -1.26 -5.02 105.19 106.62 3gtg n GLY 772 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3gtg n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtg s LYS 773 N -0.18 3.67 0.95 1.61 1.02 -0.94 -5.05 119.74 120.82 3gtg s LYS 773 Ca 0.00 0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.94 3gtg s LYS 773 Cb 0.00 -2.59 0.24 0.00 -0.52 0.00 0.00 37.83 34.96 3gtg s LYS 773 CO 0.00 0.16 0.71 2.89 -0.92 0.00 0.00 175.35 178.20 3gtg n ARG 774 N -1.00 -3.17 -1.65 1.68 1.85 -1.26 -3.97 116.66 109.14 3gtg n ARG 774 Ca -0.01 -1.16 -0.50 0.00 -1.00 0.00 0.00 57.85 55.18 3gtg n ARG 774 Cb 0.54 -1.24 -0.05 0.00 -1.05 0.00 0.00 32.46 30.65 3gtg n ARG 774 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3gtg n ILE 775 N -4.53 0.13 -1.19 8.89 2.08 -1.12 -4.91 119.36 118.71 3gtg n ILE 775 Ca 0.10 -0.02 -0.32 0.00 0.56 0.00 0.00 62.75 63.07 3gtg n ILE 775 Cb 0.42 -1.32 0.11 0.00 -0.75 0.00 0.00 39.64 38.10 3gtg n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtg s ALA 776 N 1.61 2.03 -1.11 -1.39 0.00 -1.26 -4.86 121.76 116.78 3gtg s ALA 776 Ca 0.85 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 3gtg s ALA 776 Cb -0.82 -3.36 0.25 0.00 0.00 0.00 0.00 23.12 19.19 3gtg s ALA 776 CO 0.46 -2.01 1.15 -0.06 0.00 0.00 0.00 175.76 175.30 3gtg s PHE 777 N -2.62 4.06 -0.05 0.00 2.99 -1.26 -4.65 117.98 116.44 3gtg s PHE 777 Ca 0.65 -2.51 -0.26 0.00 0.00 0.00 0.00 56.93 54.82 3gtg s PHE 777 Cb -0.21 -3.94 -0.21 0.00 0.00 0.00 0.00 43.02 38.66 3gtg s PHE 777 CO 0.53 -1.05 1.11 0.78 -0.00 0.00 0.00 175.22 176.58 3gtg h GLY 778 N 7.43 -0.03 -3.78 4.36 0.00 -1.80 -3.43 103.07 105.82 3gtg h GLY 778 Ca 0.20 0.01 -0.50 0.00 0.00 0.00 0.00 47.33 47.04 3gtg h GLY 778 CO 1.04 -0.01 0.46 -1.36 0.00 0.00 0.00 176.54 176.68 3gtg s PHE 779 N -3.68 3.60 -0.03 5.60 0.40 -1.22 -4.94 117.98 117.72 3gtg s PHE 779 Ca -0.16 1.72 -0.29 0.00 -0.60 0.00 0.00 56.93 57.59 3gtg s PHE 779 Cb 0.00 -3.26 -0.08 0.00 0.51 0.00 0.00 43.02 40.20 3gtg s PHE 779 CO 0.66 -0.47 2.04 0.08 0.70 0.00 0.00 175.22 178.22 3gtg s VAL 780 N -1.18 3.01 -2.17 -0.44 1.01 -1.26 -1.84 120.40 117.54 3gtg s VAL 780 Ca 0.44 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3gtg s VAL 780 Cb -0.31 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3gtg s VAL 780 CO 0.40 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.97 3gtg n ASP 781 N 8.59 -5.52 -3.93 3.32 8.00 -1.26 -4.87 116.55 120.89 3gtg n ASP 781 Ca 0.22 0.48 -0.08 0.00 0.71 0.00 0.00 54.79 56.12 3gtg n ASP 781 Cb 0.42 -4.82 -0.04 0.00 -0.02 0.00 0.00 41.12 36.66 3gtg n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtg s ARG 782 N -3.84 1.65 -0.16 -1.24 1.70 -0.77 0.22 118.95 116.51 3gtg s ARG 782 Ca 0.00 -1.13 -0.13 0.00 -0.47 0.00 0.00 55.73 54.00 3gtg s ARG 782 Cb 0.00 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 3gtg s ARG 782 CO 0.00 -0.72 -0.24 2.41 -1.08 0.00 0.00 175.30 175.67 3gtg n THR 783 N -0.41 1.45 -4.25 4.99 -1.04 -1.26 -3.41 114.28 110.35 3gtg n THR 783 Ca -0.03 0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 61.97 3gtg n THR 783 Cb 0.61 -2.36 -0.13 0.00 -1.82 0.00 0.00 70.33 66.63 3gtg n THR 783 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3gtg s LEU 784 N -8.08 2.20 0.00 -4.42 1.43 -1.26 -4.25 118.68 104.30 3gtg s LEU 784 Ca -0.21 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3gtg s LEU 784 Cb 0.03 -0.49 0.17 0.00 0.03 0.00 0.00 46.19 45.93 3gtg s LEU 784 CO 0.32 -0.03 0.91 -2.65 0.23 0.00 0.00 176.35 175.13 3gtg n PRO 785 N 1.73 0.05 -0.02 1.29 -0.02 -1.26 -0.45 135.00 136.32 3gtg n PRO 785 Ca -0.19 0.24 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 3gtg n PRO 785 Cb 0.55 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.54 3gtg n PRO 785 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gtg n HIS 786 N -1.27 0.05 -4.91 6.00 8.25 -1.26 -4.80 115.22 117.27 3gtg n HIS 786 Ca 0.02 -0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3gtg n HIS 786 Cb 0.03 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.99 3gtg n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gtg s PHE 787 N -1.93 2.27 1.09 4.41 2.99 0.40 -5.14 117.98 122.06 3gtg s PHE 787 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 56.93 56.42 3gtg s PHE 787 Cb 0.01 -1.37 0.25 0.00 0.00 0.00 0.00 43.02 41.91 3gtg s PHE 787 CO 0.02 0.11 1.06 0.43 -0.00 0.00 0.00 175.22 176.84 3gtg n SER 788 N 1.84 -1.04 -4.87 1.36 7.64 -1.26 -4.92 113.62 112.36 3gtg n SER 788 Ca -0.17 0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.44 3gtg n SER 788 Cb 0.52 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 3gtg n SER 788 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gtg s LYS 789 N -4.48 3.79 -1.08 1.43 1.02 -1.26 -4.29 119.74 114.87 3gtg s LYS 789 Ca 0.68 0.53 -0.17 0.00 0.02 0.00 0.00 55.97 57.03 3gtg s LYS 789 Cb -0.25 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3gtg s LYS 789 CO 0.63 -0.09 0.79 -0.25 -0.92 0.00 0.00 175.35 175.51 3gtg n ASP 790 N -1.40 -5.59 -4.21 2.83 10.43 0.60 -4.99 116.55 114.22 3gtg n ASP 790 Ca 0.03 -0.93 -0.35 0.00 2.57 0.00 0.00 54.79 56.11 3gtg n ASP 790 Cb 0.54 -3.53 -0.14 0.00 1.84 0.00 0.00 41.12 39.83 3gtg n ASP 790 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3gtg s ASP 791 N -3.39 4.68 0.00 -2.24 2.15 -1.26 -5.02 116.67 111.59 3gtg s ASP 791 Ca 0.41 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.53 3gtg s ASP 791 Cb -0.14 -1.72 -0.08 0.00 -0.30 0.00 0.00 42.92 40.68 3gtg s ASP 791 CO 0.85 -0.20 0.75 -1.22 -0.17 0.00 0.00 175.17 175.18 3gtg n TYR 792 N 4.68 0.00 -1.73 -5.34 4.02 -1.26 -4.62 117.16 112.91 3gtg n TYR 792 Ca -0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.44 3gtg n TYR 792 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 3gtg n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3gtg s SER 793 N -2.13 5.37 0.13 7.72 1.04 -1.26 -4.74 113.70 119.82 3gtg s SER 793 Ca 0.10 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.65 3gtg s SER 793 Cb 0.12 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 64.02 3gtg s SER 793 CO 0.50 -1.41 1.16 -0.81 0.98 0.00 0.00 173.24 173.66 3gtg n PRO 794 N -3.08 -0.31 -0.16 4.02 -0.04 -1.26 -0.92 135.00 133.24 3gtg n PRO 794 Ca 0.07 1.14 0.04 0.00 -0.04 0.00 0.00 63.50 64.71 3gtg n PRO 794 Cb 0.55 -1.68 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 3gtg n PRO 794 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3gtg h GLU 795 N 0.00 0.77 -0.21 0.54 9.09 -1.94 -2.23 114.58 120.60 3gtg h GLU 795 Ca 0.14 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.40 3gtg h GLU 795 Cb 0.33 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3gtg h GLU 795 CO -0.71 0.51 -0.27 1.03 0.05 0.00 0.00 179.01 179.62 3gtg h SER 796 N 0.79 0.60 -1.44 3.06 0.87 -1.34 -3.36 113.55 112.73 3gtg h SER 796 Ca 0.27 -0.50 -0.66 0.00 -1.23 0.00 0.00 61.79 59.67 3gtg h SER 796 Cb 0.10 -0.17 -0.34 0.00 -0.44 0.00 0.00 62.40 61.55 3gtg h SER 796 CO -0.08 0.98 0.22 0.29 -0.53 0.00 0.00 176.83 177.71 3gtg n LYS 797 N -4.36 3.07 -1.46 2.24 5.02 -0.94 -4.66 118.16 117.07 3gtg n LYS 797 Ca -0.05 -3.85 0.00 0.00 -2.02 0.00 0.00 58.31 52.39 3gtg n LYS 797 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 3gtg n LYS 797 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gtg n GLY 798 N -0.63 0.72 3.49 0.72 0.00 -1.09 -2.81 105.19 105.59 3gtg n GLY 798 Ca 0.50 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3gtg n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtg s PHE 799 N -2.00 3.16 -0.41 1.61 5.36 -0.88 -0.92 117.98 123.90 3gtg s PHE 799 Ca 0.00 -0.32 -0.22 0.00 -0.96 0.00 0.00 56.93 55.43 3gtg s PHE 799 Cb 0.00 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 3gtg s PHE 799 CO 0.00 -0.34 0.71 0.08 -1.46 0.00 0.00 175.22 174.21 3gtg s VAL 800 N 1.66 4.77 0.00 3.12 1.01 -0.16 -4.44 120.40 126.36 3gtg s VAL 800 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3gtg s VAL 800 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3gtg s VAL 800 CO 0.07 -0.54 0.82 1.21 0.00 0.00 0.00 175.10 176.66 3gtg n GLU 801 N 6.39 0.00 -1.63 2.72 0.00 -1.26 -3.16 120.64 123.69 3gtg n GLU 801 Ca 0.01 0.34 -0.39 0.00 0.00 0.00 0.00 57.16 57.11 3gtg n GLU 801 Cb 0.48 -1.33 0.04 0.00 0.00 0.00 0.00 31.44 30.63 3gtg n GLU 801 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3gtg n ASN 802 N -1.52 1.22 -4.83 4.31 3.02 -1.26 -3.50 115.26 112.69 3gtg n ASN 802 Ca 0.00 0.90 -0.32 0.00 -0.03 0.00 0.00 54.58 55.13 3gtg n ASN 802 Cb 0.00 -1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 37.74 3gtg n ASN 802 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3gtg s SER 803 N -1.02 6.43 0.54 6.41 1.04 -1.26 -3.67 113.70 122.17 3gtg s SER 803 Ca 0.71 1.62 0.38 0.00 0.48 0.00 0.00 55.95 59.14 3gtg s SER 803 Cb -0.46 -2.51 1.58 0.00 0.10 0.00 0.00 66.02 64.72 3gtg s SER 803 CO 0.51 -0.72 1.77 1.88 0.98 0.00 0.00 173.24 177.66 3gtg h TYR 804 N 0.79 0.01 0.07 5.02 -1.99 -1.41 -0.41 116.97 119.06 3gtg h TYR 804 Ca -0.47 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.26 3gtg h TYR 804 Cb 1.19 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 3gtg h TYR 804 CO 0.63 -0.00 -0.03 1.25 -0.00 0.00 0.00 178.16 180.00 3gtg h LEU 805 N 0.01 -0.08 -1.62 3.88 7.12 -1.79 -3.26 115.31 119.56 3gtg h LEU 805 Ca 0.62 -0.49 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 3gtg h LEU 805 Cb 2.48 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 42.62 3gtg h LEU 805 CO -0.01 0.49 -0.21 0.03 -0.13 0.00 0.00 178.44 178.61 3gtg h ARG 806 N -0.70 0.00 0.00 1.25 3.08 -1.48 -3.48 114.38 113.05 3gtg h ARG 806 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gtg h ARG 806 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gtg h ARG 806 CO 0.02 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 3gtg n GLY 807 N -0.63 1.87 3.86 0.04 0.00 -0.30 -4.99 105.19 105.04 3gtg n GLY 807 Ca -0.02 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 3gtg n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 808 N -0.25 3.84 0.26 0.99 1.02 -1.26 -4.64 118.68 118.65 3gtg s LEU 808 Ca 0.00 1.30 0.07 0.00 0.02 0.00 0.00 54.13 55.52 3gtg s LEU 808 Cb 0.00 -4.17 -0.03 0.00 0.02 0.00 0.00 46.19 42.00 3gtg s LEU 808 CO 0.00 -0.40 0.23 0.42 0.02 0.00 0.00 176.35 176.62 3gtg s THR 809 N -2.33 4.40 0.21 5.49 -4.23 -1.26 -4.88 115.64 113.03 3gtg s THR 809 Ca 0.54 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.54 3gtg s THR 809 Cb -0.10 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.53 3gtg s THR 809 CO 0.27 -0.32 1.61 -0.65 -0.54 0.00 0.00 174.62 174.99 3gtg h PRO 810 N 1.42 -0.06 0.86 3.99 0.11 -2.00 0.17 132.00 136.49 3gtg h PRO 810 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3gtg h PRO 810 Cb 1.24 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3gtg h PRO 810 CO 0.60 -0.04 -0.41 1.96 -0.21 0.00 0.00 178.00 179.90 3gtg h GLN 811 N -0.06 -1.11 -0.73 1.05 7.50 -1.99 -3.02 115.11 116.75 3gtg h GLN 811 Ca 0.29 0.08 0.10 0.00 0.50 0.00 0.00 58.65 59.62 3gtg h GLN 811 Cb 0.51 0.25 -0.11 0.00 0.05 0.00 0.00 27.48 28.18 3gtg h GLN 811 CO -0.67 -0.74 -0.31 0.39 -1.50 0.00 0.00 178.83 176.00 3gtg n GLU 812 N -5.51 -0.20 -0.13 1.46 1.02 -0.03 -0.27 120.64 116.98 3gtg n GLU 812 Ca -0.14 1.12 -0.05 0.00 -0.02 0.00 0.00 57.16 58.07 3gtg n GLU 812 Cb 0.45 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 3gtg n GLU 812 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gtg h PHE 813 N 0.00 0.32 0.15 -0.32 3.57 -0.66 0.52 116.94 120.52 3gtg h PHE 813 Ca 0.23 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3gtg h PHE 813 Cb 0.41 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3gtg h PHE 813 CO -0.66 0.14 -0.09 0.35 -2.23 0.00 0.00 178.31 175.82 3gtg h PHE 814 N 0.36 -0.24 -0.09 0.41 3.57 -0.52 0.21 116.94 120.64 3gtg h PHE 814 Ca 0.19 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3gtg h PHE 814 Cb 0.14 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3gtg h PHE 814 CO -0.13 -0.15 -0.32 0.74 -2.23 0.00 0.00 178.31 176.23 3gtg h PHE 815 N -0.24 -0.87 -0.50 0.41 0.05 -0.64 0.24 116.94 115.39 3gtg h PHE 815 Ca -0.01 0.03 0.10 0.00 3.82 0.00 0.00 57.97 61.91 3gtg h PHE 815 Cb 0.20 0.40 -0.10 0.00 2.00 0.00 0.00 35.95 38.45 3gtg h PHE 815 CO -0.09 -0.40 -0.14 1.25 -0.18 0.00 0.00 178.31 178.75 3gtg h HIS 816 N -0.41 -0.32 -0.91 -0.55 2.76 -0.56 1.19 115.15 116.36 3gtg h HIS 816 Ca 0.09 0.05 0.20 0.00 -2.20 0.00 0.00 60.37 58.50 3gtg h HIS 816 Cb 0.54 0.22 -0.11 0.00 1.55 0.00 0.00 27.41 29.61 3gtg h HIS 816 CO -0.38 -0.23 0.46 0.00 -1.30 0.00 0.00 177.93 176.47 3gtg h ALA 817 N 1.46 1.45 -0.55 5.26 0.00 0.10 -1.85 119.26 125.13 3gtg h ALA 817 Ca 0.24 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3gtg h ALA 817 Cb 0.39 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3gtg h ALA 817 CO -0.53 -0.21 0.37 0.52 0.00 0.00 0.00 179.25 179.40 3gtg h MET 818 N 0.54 0.39 0.00 0.00 2.07 0.47 -2.17 114.93 116.24 3gtg h MET 818 Ca 0.54 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 58.11 3gtg h MET 818 Cb 0.93 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.56 3gtg h MET 818 CO -0.45 0.26 -0.55 0.78 1.07 0.00 0.00 176.91 178.02 3gtg h GLY 819 N 0.41 0.00 -0.77 8.32 0.00 -1.05 -3.35 103.07 106.62 3gtg h GLY 819 Ca 0.25 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.82 3gtg h GLY 819 CO -0.07 0.00 0.12 0.61 0.00 0.00 0.00 176.54 177.20 3gtg n GLY 820 N 1.61 -0.93 0.39 4.60 0.00 -0.98 0.28 105.19 110.16 3gtg n GLY 820 Ca -0.11 0.72 0.20 0.00 0.00 0.00 0.00 46.02 46.84 3gtg n GLY 820 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gtg h ARG 821 N 0.00 0.13 -0.38 1.61 9.65 -1.52 1.33 114.38 125.21 3gtg h ARG 821 Ca 0.52 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.29 3gtg h ARG 821 Cb 1.17 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 3gtg h ARG 821 CO -0.69 0.09 -0.17 1.49 2.80 0.00 0.00 179.97 183.48 3gtg h GLU 822 N 0.14 0.70 -0.23 0.20 4.81 0.40 -3.02 114.58 117.58 3gtg h GLU 822 Ca 0.32 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3gtg h GLU 822 Cb 1.05 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 3gtg h GLU 822 CO -0.04 0.83 -0.30 0.78 -0.73 0.00 0.00 179.01 179.55 3gtg h GLY 823 N 0.98 -0.30 1.03 1.92 0.00 0.20 -2.17 103.07 104.72 3gtg h GLY 823 Ca 0.10 0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.80 3gtg h GLY 823 CO 0.05 -0.21 0.63 1.41 0.00 0.00 0.00 176.54 178.42 3gtg h LEU 824 N -0.31 1.14 -0.82 3.11 3.38 -1.56 -3.13 115.31 117.12 3gtg h LEU 824 Ca 0.13 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.22 3gtg h LEU 824 Cb 0.52 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3gtg h LEU 824 CO -0.41 0.84 0.36 0.40 0.09 0.00 0.00 178.44 179.72 3gtg h ILE 825 N 1.34 0.63 0.25 1.22 1.08 -1.26 -0.02 117.51 120.75 3gtg h ILE 825 Ca 0.36 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 3gtg h ILE 825 Cb -0.13 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 3gtg h ILE 825 CO -0.07 0.09 -0.12 0.44 -0.69 0.00 0.00 178.15 177.79 3gtg h ASP 826 N 0.48 -0.29 0.00 1.72 3.45 -1.48 -2.83 116.42 117.48 3gtg h ASP 826 Ca 0.46 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.89 3gtg h ASP 826 Cb 0.74 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 3gtg h ASP 826 CO -0.43 0.19 0.02 0.35 -1.57 0.00 0.00 179.24 177.80 3gtg n THR 827 N -5.00 1.17 -0.01 0.35 -2.24 -1.14 -0.85 114.28 106.56 3gtg n THR 827 Ca -0.05 0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3gtg n THR 827 Cb 0.16 -1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 67.08 3gtg n THR 827 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtg h ALA 828 N 1.90 0.00 -2.08 6.98 0.00 -0.93 -3.44 119.26 121.69 3gtg h ALA 828 Ca 0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 3gtg h ALA 828 Cb 0.03 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.46 3gtg h ALA 828 CO 0.00 0.04 -1.04 0.28 0.00 0.00 0.00 179.25 178.54 3gtg n VAL 829 N -2.44 0.71 0.00 0.00 0.31 -1.07 -4.59 118.33 111.25 3gtg n VAL 829 Ca -0.01 -4.83 0.00 0.00 -0.01 0.00 0.00 64.34 59.49 3gtg n VAL 829 Cb 0.02 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3gtg n VAL 829 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3gtg n LYS 830 N 0.22 3.41 -0.17 5.55 4.81 -0.03 -4.74 118.16 127.22 3gtg n LYS 830 Ca 0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.69 3gtg n LYS 830 Cb 0.58 -0.44 0.22 0.00 0.02 0.00 0.00 35.03 35.41 3gtg n LYS 830 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3gtg h THR 831 N 0.00 1.21 -0.93 3.15 2.02 -1.79 -3.03 112.91 113.53 3gtg h THR 831 Ca 0.00 -0.57 0.10 0.00 0.77 0.00 0.00 66.41 66.70 3gtg h THR 831 Cb 0.00 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 3gtg h THR 831 CO 0.00 0.24 0.57 0.00 0.37 0.00 0.00 175.52 176.70 3gtg h ALA 832 N 1.44 1.35 0.32 6.16 0.00 -1.85 0.22 119.26 126.91 3gtg h ALA 832 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gtg h ALA 832 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gtg h ALA 832 CO -0.03 0.22 -0.16 0.93 0.00 0.00 0.00 179.25 180.22 3gtg h GLU 833 N 0.95 -0.42 -0.99 0.00 5.08 -1.88 0.05 114.58 117.37 3gtg h GLU 833 Ca 0.44 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 59.03 3gtg h GLU 833 Cb 0.37 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 3gtg h GLU 833 CO -0.24 -0.14 0.59 1.15 -1.00 0.00 0.00 179.01 179.37 3gtg h THR 834 N -0.67 0.66 0.00 1.13 2.02 -1.15 0.31 112.91 115.21 3gtg h THR 834 Ca -0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3gtg h THR 834 Cb 0.47 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3gtg h THR 834 CO 0.07 0.13 -0.15 1.23 0.37 0.00 0.00 175.52 177.18 3gtg h GLY 835 N 0.70 0.00 1.67 2.16 0.00 -0.57 -2.89 103.07 104.15 3gtg h GLY 835 Ca 0.59 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.71 3gtg h GLY 835 CO -0.41 0.00 -0.88 -1.82 0.00 0.00 0.00 176.54 173.43 3gtg h TYR 836 N 0.00 0.44 0.79 5.60 3.20 0.15 -2.86 116.97 124.29 3gtg h TYR 836 Ca 0.00 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.60 3gtg h TYR 836 Cb 0.99 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3gtg h TYR 836 CO 0.00 1.04 -0.44 0.82 -1.64 0.00 0.00 178.16 177.94 3gtg h ILE 837 N 0.17 0.00 -0.12 1.81 1.08 -0.65 -2.24 117.51 117.56 3gtg h ILE 837 Ca -0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3gtg h ILE 837 Cb 1.50 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 3gtg h ILE 837 CO 0.14 0.00 -0.39 -0.61 -0.69 0.00 0.00 178.15 176.61 3gtg h GLN 838 N -1.14 -0.38 -1.43 2.37 -0.00 -1.59 0.53 115.11 113.47 3gtg h GLN 838 Ca -0.11 0.03 0.41 0.00 -0.00 0.00 0.00 58.65 58.98 3gtg h GLN 838 Cb 0.90 0.09 -0.06 0.00 0.00 0.00 0.00 27.48 28.41 3gtg h GLN 838 CO 0.13 -0.26 1.03 0.00 0.00 0.00 0.00 178.83 179.74 3gtg h ARG 839 N -0.40 0.00 0.01 1.69 3.08 -1.54 0.13 114.38 117.35 3gtg h ARG 839 Ca 0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gtg h ARG 839 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3gtg h ARG 839 CO -0.32 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.57 3gtg h ARG 840 N 0.00 -0.01 -0.42 0.04 3.08 0.57 -2.88 114.38 114.77 3gtg h ARG 840 Ca 0.68 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.82 3gtg h ARG 840 Cb 2.73 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.69 3gtg h ARG 840 CO -0.01 0.62 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.24 3gtg h LEU 841 N -0.99 -0.70 -1.51 3.04 3.38 0.80 0.44 115.31 119.77 3gtg h LEU 841 Ca -0.00 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.25 3gtg h LEU 841 Cb 0.63 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3gtg h LEU 841 CO 0.00 -0.24 0.48 0.58 0.09 0.00 0.00 178.44 179.36 3gtg h VAL 842 N -0.13 0.87 0.00 1.22 2.07 -0.96 -0.77 116.25 118.55 3gtg h VAL 842 Ca 0.20 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3gtg h VAL 842 Cb 0.44 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3gtg h VAL 842 CO -0.50 0.10 -0.80 0.11 0.02 0.00 0.00 177.57 176.50 3gtg h LYS 843 N 0.53 0.00 0.02 1.57 1.79 -0.88 -2.84 116.57 116.75 3gtg h LYS 843 Ca 0.35 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.65 3gtg h LYS 843 Cb 0.63 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3gtg h LYS 843 CO -0.12 0.00 -0.66 0.00 -1.08 0.00 0.00 179.45 177.59 3gtg h ALA 844 N 2.15 0.06 0.00 3.86 0.00 0.12 -3.41 119.26 122.04 3gtg h ALA 844 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 54.91 53.90 3gtg h ALA 844 Cb 0.93 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3gtg h ALA 844 CO 0.00 0.38 -2.26 1.28 0.00 0.00 0.00 179.25 178.65 3gtg n LEU 845 N -4.18 1.94 0.00 0.00 4.77 -0.73 -4.87 117.00 113.93 3gtg n LEU 845 Ca -0.11 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3gtg n LEU 845 Cb 0.71 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3gtg n LEU 845 CO 0.48 0.50 0.00 1.21 -1.33 0.00 0.00 177.39 178.25 3gtg n GLU 846 N -4.29 0.00 -0.10 3.23 2.13 -1.07 -1.26 120.64 119.28 3gtg n GLU 846 Ca -0.50 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.32 3gtg n GLU 846 Cb 0.84 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.58 3gtg n GLU 846 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3gtg n ASP 847 N 1.08 2.19 -4.55 4.31 5.75 -1.26 -2.93 116.55 121.14 3gtg n ASP 847 Ca 0.00 -2.12 -0.42 0.00 -0.01 0.00 0.00 54.79 52.24 3gtg n ASP 847 Cb 0.00 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.54 3gtg n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gtg s ILE 848 N -0.79 4.12 -0.05 2.12 -1.09 -0.39 -4.49 121.20 120.63 3gtg s ILE 848 Ca 0.05 -1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 3gtg s ILE 848 Cb 0.04 -5.06 -0.04 0.00 -1.58 0.00 0.00 42.46 35.83 3gtg s ILE 848 CO 0.01 -1.90 0.05 0.00 -1.23 0.00 0.00 174.94 171.88 3gtg s MET 849 N 4.35 3.08 0.34 2.79 0.23 -1.14 0.65 119.30 129.59 3gtg s MET 849 Ca 0.46 -0.40 -0.29 0.00 -1.03 0.00 0.00 55.69 54.43 3gtg s MET 849 Cb 0.00 -2.88 -0.10 0.00 -1.53 0.00 0.00 34.83 30.32 3gtg s MET 849 CO -0.05 0.69 1.34 0.08 -2.03 0.00 0.00 175.02 175.05 3gtg s VAL 850 N -1.04 2.60 0.38 5.16 1.01 -1.05 -2.98 120.40 124.48 3gtg s VAL 850 Ca 0.18 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3gtg s VAL 850 Cb -0.12 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3gtg s VAL 850 CO 0.08 0.14 0.36 1.41 0.00 0.00 0.00 175.10 177.09 3gtg n HIS 851 N 0.73 -1.37 1.83 5.22 8.25 -1.24 -2.87 115.22 125.78 3gtg n HIS 851 Ca 0.00 -1.53 0.01 0.00 -0.26 0.00 0.00 57.72 55.94 3gtg n HIS 851 Cb 0.41 -0.32 0.07 0.00 1.12 0.00 0.00 29.99 31.27 3gtg n HIS 851 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gtg n TYR 852 N -1.51 0.00 0.30 4.41 4.02 -1.26 -1.26 117.16 121.85 3gtg n TYR 852 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.96 3gtg n TYR 852 Cb 0.42 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.79 3gtg n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3gtg n ASP 853 N -0.54 1.92 -0.09 7.72 5.68 -1.26 -5.01 116.55 124.97 3gtg n ASP 853 Ca 0.02 -1.48 -0.01 0.00 -0.50 0.00 0.00 54.79 52.81 3gtg n ASP 853 Cb 0.01 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 3gtg n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3gtg n ASN 854 N 0.48 -3.39 -4.47 -1.12 3.02 -0.39 -5.03 115.26 104.36 3gtg n ASN 854 Ca 0.06 0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 3gtg n ASN 854 Cb 0.26 -1.00 -0.12 0.00 -0.61 0.00 0.00 39.78 38.30 3gtg n ASN 854 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gtg s THR 855 N -1.96 4.07 -0.25 3.41 -4.23 -1.26 -3.04 115.64 112.39 3gtg s THR 855 Ca 0.00 -0.27 -0.28 0.00 -1.18 0.00 0.00 61.69 59.95 3gtg s THR 855 Cb 0.00 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3gtg s THR 855 CO 0.00 0.43 2.04 -0.89 -0.54 0.00 0.00 174.62 175.66 3gtg s THR 856 N 0.92 3.20 0.25 3.99 2.01 0.15 -3.70 115.64 122.47 3gtg s THR 856 Ca 0.02 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.24 3gtg s THR 856 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3gtg s THR 856 CO 0.02 -0.16 0.17 0.00 -0.69 0.00 0.00 174.62 173.97 3gtg s ARG 857 N 5.98 1.40 0.00 4.92 1.70 -1.16 0.65 118.95 132.44 3gtg s ARG 857 Ca 0.92 -1.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 3gtg s ARG 857 Cb -0.29 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 3gtg s ARG 857 CO 0.35 -0.47 0.00 0.27 -1.08 0.00 0.00 175.30 174.37 3gtg n ASN 858 N -0.71 0.68 0.26 -2.89 2.04 -1.08 -2.90 115.26 110.67 3gtg n ASN 858 Ca 0.03 -0.91 0.11 0.00 -0.44 0.00 0.00 54.58 53.38 3gtg n ASN 858 Cb 0.65 0.00 0.69 0.00 -2.53 0.00 0.00 39.78 38.59 3gtg n ASN 858 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 3gtg h SER 859 N 0.00 0.00 1.36 0.53 4.64 -1.90 -2.67 113.55 115.51 3gtg h SER 859 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtg h SER 859 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gtg h SER 859 CO 0.00 0.13 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.54 3gtg h LEU 860 N 0.00 0.00 0.00 5.97 3.38 -1.96 -3.47 115.31 119.24 3gtg h LEU 860 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gtg h LEU 860 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gtg h LEU 860 CO 0.02 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3gtg n GLY 861 N 1.20 0.71 3.69 0.83 0.00 -1.01 -5.05 105.19 105.57 3gtg n GLY 861 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gtg n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtg s ASN 862 N -2.70 6.53 0.52 1.61 -0.87 -1.26 -4.80 114.94 113.97 3gtg s ASN 862 Ca 0.00 2.60 -0.20 0.00 -1.57 0.00 0.00 52.86 53.69 3gtg s ASN 862 Cb 0.00 -2.56 -0.07 0.00 -0.02 0.00 0.00 41.25 38.60 3gtg s ASN 862 CO 0.00 -0.94 1.12 -0.69 -2.57 0.00 0.00 177.10 174.02 3gtg s VAL 863 N 2.68 3.28 -0.06 1.60 1.01 -1.26 -2.64 120.40 125.01 3gtg s VAL 863 Ca 0.77 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 3gtg s VAL 863 Cb -0.42 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3gtg s VAL 863 CO 0.34 -0.14 -0.08 -0.38 0.00 0.00 0.00 175.10 174.84 3gtg n ILE 864 N -1.08 0.34 -4.26 2.22 2.08 0.21 -4.94 119.36 113.92 3gtg n ILE 864 Ca 0.10 -0.09 -0.22 0.00 0.56 0.00 0.00 62.75 63.10 3gtg n ILE 864 Cb 0.51 -1.54 -0.12 0.00 -0.75 0.00 0.00 39.64 37.74 3gtg n ILE 864 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3gtg s GLN 865 N -2.11 1.06 0.16 0.38 -0.21 -1.11 -4.96 119.66 112.86 3gtg s GLN 865 Ca -0.09 -1.13 0.23 0.00 0.02 0.00 0.00 55.36 54.40 3gtg s GLN 865 Cb 0.03 -1.24 0.15 0.00 1.00 0.00 0.00 33.01 32.96 3gtg s GLN 865 CO 0.11 0.28 1.17 0.74 -2.12 0.00 0.00 175.29 175.47 3gtg h PHE 866 N 4.06 0.00 -3.51 0.91 -1.00 -1.89 0.46 116.94 115.97 3gtg h PHE 866 Ca -0.44 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.01 3gtg h PHE 866 Cb 1.18 0.00 -0.34 0.00 3.61 0.00 0.00 35.95 40.41 3gtg h PHE 866 CO 0.62 0.00 -0.74 0.42 -1.61 0.00 0.00 178.31 177.00 3gtg s ILE 867 N -3.27 0.11 0.21 -0.55 1.01 -1.26 -4.10 121.20 113.35 3gtg s ILE 867 Ca 0.03 0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.47 3gtg s ILE 867 Cb 0.11 -0.21 -0.14 0.00 0.01 0.00 0.00 42.46 42.23 3gtg s ILE 867 CO 0.76 0.13 1.42 0.00 0.00 0.00 0.00 174.94 177.25 3gtg n TYR 868 N 4.12 2.08 -2.98 3.97 9.36 -1.17 -1.59 117.16 130.95 3gtg n TYR 868 Ca -0.27 0.43 -0.21 0.00 3.32 0.00 0.00 57.90 61.17 3gtg n TYR 868 Cb 0.50 -2.46 0.01 0.00 -0.63 0.00 0.00 39.34 36.77 3gtg n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gtg n GLY 869 N 2.45 -0.50 3.68 2.98 0.00 -1.26 -0.25 105.19 112.28 3gtg n GLY 869 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3gtg n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtg n GLU 870 N -3.61 -0.64 0.00 1.61 1.02 -0.62 -4.42 120.64 113.98 3gtg n GLU 870 Ca -0.10 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3gtg n GLU 870 Cb 0.60 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.37 3gtg n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gtg n ASP 871 N -0.31 0.00 -1.45 1.62 5.75 -1.09 -4.79 116.55 116.28 3gtg n ASP 871 Ca 0.00 -0.79 -0.09 0.00 -0.01 0.00 0.00 54.79 53.90 3gtg n ASP 871 Cb 0.16 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3gtg n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtg n GLY 872 N 0.00 0.26 3.12 6.12 0.00 0.66 -4.94 105.19 110.40 3gtg n GLY 872 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3gtg n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtg s MET 873 N -5.15 2.64 -0.07 1.61 0.00 -1.25 -0.87 119.30 116.21 3gtg s MET 873 Ca 0.15 -0.72 -0.29 0.00 0.00 0.00 0.00 55.69 54.83 3gtg s MET 873 Cb -0.07 -2.18 -0.06 0.00 0.00 0.00 0.00 34.83 32.52 3gtg s MET 873 CO 0.19 -0.04 1.87 0.34 0.00 0.00 0.00 175.02 177.38 3gtg s ASP 874 N 0.90 6.33 0.55 1.11 -1.08 -1.07 -4.79 116.67 118.62 3gtg s ASP 874 Ca -0.07 2.26 0.43 0.00 -0.52 0.00 0.00 52.55 54.65 3gtg s ASP 874 Cb -0.15 -2.53 1.63 0.00 -1.46 0.00 0.00 42.92 40.41 3gtg s ASP 874 CO -0.02 -1.20 1.69 0.00 0.52 0.00 0.00 175.17 176.16 3gtg h ALA 875 N 11.08 3.48 -0.86 3.66 0.00 -1.92 -1.63 119.26 133.07 3gtg h ALA 875 Ca -0.43 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3gtg h ALA 875 Cb 1.21 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3gtg h ALA 875 CO 0.96 -1.93 0.54 0.00 0.00 0.00 0.00 179.25 178.82 3gtg h ALA 876 N 1.20 1.16 -0.59 0.00 0.00 -1.87 -3.26 119.26 115.91 3gtg h ALA 876 Ca 0.74 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 55.27 3gtg h ALA 876 Cb 2.99 -0.26 -0.17 0.00 0.00 0.00 0.00 17.79 20.34 3gtg h ALA 876 CO -0.01 0.33 0.46 0.72 0.00 0.00 0.00 179.25 180.76 3gtg n HIS 877 N -4.59 1.86 -3.77 0.00 8.25 -0.61 -4.88 115.22 111.48 3gtg n HIS 877 Ca 0.12 -1.83 -0.14 0.00 -0.26 0.00 0.00 57.72 55.61 3gtg n HIS 877 Cb 0.14 -0.90 -0.15 0.00 1.12 0.00 0.00 29.99 30.20 3gtg n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtg s ILE 878 N -2.46 -0.05 0.01 1.59 1.01 -1.23 -3.84 121.20 116.23 3gtg s ILE 878 Ca 0.36 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3gtg s ILE 878 Cb 0.29 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.62 3gtg s ILE 878 CO 0.02 0.07 -0.03 -1.83 0.00 0.00 0.00 174.94 173.18 3gtg s GLU 879 N 0.98 0.24 -0.06 2.79 -1.05 -0.96 -4.80 118.70 115.83 3gtg s GLU 879 Ca -0.08 -0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 3gtg s GLU 879 Cb -0.11 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 3gtg s GLU 879 CO -0.04 -0.01 1.29 -1.59 0.95 0.00 0.00 175.26 175.87 3gtg s LYS 880 N -0.92 4.30 -0.03 -4.83 -2.85 -1.26 -1.19 119.74 112.96 3gtg s LYS 880 Ca -0.09 1.78 -0.00 0.00 -1.00 0.00 0.00 55.97 56.65 3gtg s LYS 880 Cb -0.06 -3.63 0.03 0.00 -2.06 0.00 0.00 37.83 32.11 3gtg s LYS 880 CO -0.00 -0.56 0.03 1.14 0.10 0.00 0.00 175.35 176.05 3gtg s GLN 881 N 2.64 0.06 0.25 1.78 -2.07 -1.15 -4.83 119.66 116.35 3gtg s GLN 881 Ca 0.59 0.19 -0.30 0.00 -1.82 0.00 0.00 55.36 54.01 3gtg s GLN 881 Cb -0.26 -0.37 -0.11 0.00 -1.09 0.00 0.00 33.01 31.18 3gtg s GLN 881 CO 0.22 -0.19 1.54 -1.54 -1.32 0.00 0.00 175.29 174.00 3gtg s SER 882 N 1.26 6.50 -0.81 12.60 1.04 -1.26 -3.79 113.70 129.24 3gtg s SER 882 Ca -0.07 2.80 -0.18 0.00 0.48 0.00 0.00 55.95 58.98 3gtg s SER 882 Cb -0.13 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.51 3gtg s SER 882 CO -0.03 -0.83 0.93 -0.76 0.98 0.00 0.00 173.24 173.54 3gtg s LEU 883 N -0.11 5.50 0.37 2.42 1.43 0.35 -4.92 118.68 123.72 3gtg s LEU 883 Ca 0.64 -1.99 0.33 0.00 -1.03 0.00 0.00 54.13 52.08 3gtg s LEU 883 Cb -0.45 -2.33 1.19 0.00 0.03 0.00 0.00 46.19 44.62 3gtg s LEU 883 CO 0.43 -0.98 1.09 0.47 0.23 0.00 0.00 176.35 177.59 3gtg n ASP 884 N 5.96 0.03 0.30 2.29 10.43 -1.26 -3.08 116.55 131.22 3gtg n ASP 884 Ca 0.12 0.75 0.19 0.00 2.57 0.00 0.00 54.79 58.42 3gtg n ASP 884 Cb 0.47 -0.37 0.89 0.00 1.84 0.00 0.00 41.12 43.94 3gtg n ASP 884 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 3gtg h THR 885 N 0.00 0.01 0.00 -3.53 2.02 -1.93 -3.39 112.91 106.09 3gtg h THR 885 Ca 0.65 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.51 3gtg h THR 885 Cb 2.53 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 3gtg h THR 885 CO -0.07 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.45 3gtg n ILE 886 N -3.10 0.00 -2.06 3.11 2.08 -1.18 -4.80 119.36 113.42 3gtg n ILE 886 Ca -0.01 0.65 -0.33 0.00 0.56 0.00 0.00 62.75 63.62 3gtg n ILE 886 Cb 0.22 -1.47 0.01 0.00 -0.75 0.00 0.00 39.64 37.64 3gtg n ILE 886 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3gtg s GLY 887 N -1.50 2.12 0.00 7.39 0.00 -1.26 -4.98 107.32 109.09 3gtg s GLY 887 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.10 3gtg s GLY 887 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.41 3gtg n GLY 888 N -1.01 3.82 3.78 0.20 0.00 -1.26 -5.00 105.19 105.71 3gtg n GLY 888 Ca 0.09 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3gtg n GLY 888 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gtg s SER 889 N 0.00 6.41 0.00 1.61 0.01 -1.26 -4.22 113.70 116.26 3gtg s SER 889 Ca 0.00 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.20 3gtg s SER 889 Cb 0.00 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3gtg s SER 889 CO 0.00 -0.81 0.53 0.47 0.41 0.00 0.00 173.24 173.84 3gtg n ASP 890 N 0.48 0.00 -0.03 2.44 8.00 -1.11 -1.26 116.55 125.08 3gtg n ASP 890 Ca 0.01 0.12 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 3gtg n ASP 890 Cb 0.40 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3gtg n ASP 890 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtg n ALA 891 N -1.03 1.97 0.06 2.24 0.00 -1.26 -4.56 120.51 117.92 3gtg n ALA 891 Ca 0.00 -0.43 0.21 0.00 0.00 0.00 0.00 53.44 53.22 3gtg n ALA 891 Cb 0.05 0.17 0.71 0.00 0.00 0.00 0.00 19.45 20.37 3gtg n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg h ALA 892 N -0.50 2.19 -0.13 0.00 0.00 -1.62 0.38 119.26 119.58 3gtg h ALA 892 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gtg h ALA 892 Cb 0.62 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gtg h ALA 892 CO -0.03 -0.79 -0.01 0.35 0.00 0.00 0.00 179.25 178.77 3gtg h PHE 893 N 0.00 0.26 -0.57 0.00 3.57 -1.45 -3.04 116.94 115.71 3gtg h PHE 893 Ca 0.22 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.73 3gtg h PHE 893 Cb 1.31 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 3gtg h PHE 893 CO 0.00 0.50 0.29 1.49 -2.23 0.00 0.00 178.31 178.36 3gtg h GLU 894 N -0.05 0.53 -0.26 1.11 4.81 -0.50 -1.84 114.58 118.38 3gtg h GLU 894 Ca 0.03 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3gtg h GLU 894 Cb 0.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3gtg h GLU 894 CO 0.01 0.35 0.42 -0.22 -0.73 0.00 0.00 179.01 178.84 3gtg h LYS 895 N 0.55 0.00 0.00 1.92 1.63 -1.30 -1.96 116.57 117.41 3gtg h LYS 895 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3gtg h LYS 895 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3gtg h LYS 895 CO -0.18 0.00 -1.04 0.54 -3.45 0.00 0.00 179.45 175.31 3gtg n ARG 896 N -3.39 1.74 0.00 1.90 5.12 -0.70 -4.70 116.66 116.63 3gtg n ARG 896 Ca 0.04 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3gtg n ARG 896 Cb 0.55 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 3gtg n ARG 896 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3gtg n TYR 897 N -1.59 0.00 -2.80 -1.55 4.02 -1.07 -4.34 117.16 109.82 3gtg n TYR 897 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 3gtg n TYR 897 Cb 0.26 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.54 3gtg n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gtg s ARG 898 N -0.40 3.35 -0.39 -0.72 6.06 -0.76 -4.61 118.95 121.48 3gtg s ARG 898 Ca 0.00 -0.20 -0.15 0.00 -2.50 0.00 0.00 55.73 52.88 3gtg s ARG 898 Cb 0.00 -4.05 0.01 0.00 0.06 0.00 0.00 34.95 30.97 3gtg s ARG 898 CO 0.00 -1.52 0.31 0.08 -2.50 0.00 0.00 175.30 171.68 3gtg s VAL 899 N 4.09 5.23 -0.46 7.11 1.01 -1.26 -4.90 120.40 131.22 3gtg s VAL 899 Ca 0.32 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3gtg s VAL 899 Cb -0.12 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.49 3gtg s VAL 899 CO 0.20 -0.24 0.32 -0.62 0.00 0.00 0.00 175.10 174.76 3gtg s ASP 900 N 1.72 5.62 0.18 3.32 -1.08 0.10 -4.87 116.67 121.66 3gtg s ASP 900 Ca 0.07 -1.96 -0.13 0.00 -0.52 0.00 0.00 52.55 50.02 3gtg s ASP 900 Cb -0.18 -1.97 0.16 0.00 -1.46 0.00 0.00 42.92 39.47 3gtg s ASP 900 CO 0.11 -0.66 1.77 -0.07 0.52 0.00 0.00 175.17 176.84 3gtg h LEU 901 N 8.35 0.30 -1.78 -1.34 3.38 -1.88 -2.75 115.31 119.59 3gtg h LEU 901 Ca -0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gtg h LEU 901 Cb 1.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3gtg h LEU 901 CO 0.83 0.20 0.00 0.00 0.09 0.00 0.00 178.44 179.56 3gtg n LEU 902 N -4.93 2.46 -3.95 1.67 -0.00 -1.26 -3.30 117.00 107.69 3gtg n LEU 902 Ca 0.05 -1.24 -0.29 0.00 -0.00 0.00 0.00 56.01 54.53 3gtg n LEU 902 Cb 0.17 -0.55 -0.16 0.00 -0.00 0.00 0.00 43.42 42.87 3gtg n LEU 902 CO 0.27 0.37 -0.45 0.21 -0.00 0.00 0.00 177.39 177.79 3gtg s ASN 903 N -0.25 2.77 0.26 1.45 2.47 -1.05 -4.88 114.94 115.71 3gtg s ASN 903 Ca 0.17 -0.59 0.09 0.00 0.42 0.00 0.00 52.86 52.96 3gtg s ASN 903 Cb 0.13 -1.03 0.51 0.00 -1.45 0.00 0.00 41.25 39.41 3gtg s ASN 903 CO 0.05 -0.13 1.14 0.41 -3.72 0.00 0.00 177.10 174.85 3gtg n THR 904 N 4.82 0.66 -0.09 -5.21 -1.04 -1.26 -2.37 114.28 109.79 3gtg n THR 904 Ca -0.14 0.69 -0.20 0.00 -2.04 0.00 0.00 64.05 62.37 3gtg n THR 904 Cb 0.49 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.24 3gtg n THR 904 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3gtg n ASP 905 N -1.86 1.45 -1.68 8.00 9.92 -1.26 -4.65 116.55 126.47 3gtg n ASP 905 Ca -0.01 0.25 -0.13 0.00 -0.53 0.00 0.00 54.79 54.37 3gtg n ASP 905 Cb 0.34 -0.60 0.11 0.00 -0.64 0.00 0.00 41.12 40.33 3gtg n ASP 905 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3gtg n HIS 906 N -3.94 1.73 -3.55 1.24 8.25 -1.00 -4.87 115.22 113.08 3gtg n HIS 906 Ca -0.36 -1.23 -0.28 0.00 -0.26 0.00 0.00 57.72 55.59 3gtg n HIS 906 Cb 0.73 -0.63 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3gtg n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gtg s THR 907 N -1.88 5.13 -0.36 1.59 2.01 -1.02 -0.72 115.64 120.38 3gtg s THR 907 Ca 0.32 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 3gtg s THR 907 Cb 0.27 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 69.07 3gtg s THR 907 CO 0.06 -0.23 0.98 -1.48 -0.69 0.00 0.00 174.62 173.26 3gtg s LEU 908 N -3.39 3.95 0.05 4.42 2.34 -1.26 -4.97 118.68 119.82 3gtg s LEU 908 Ca 0.41 0.69 -0.35 0.00 0.06 0.00 0.00 54.13 54.93 3gtg s LEU 908 Cb -0.11 -3.35 -0.19 0.00 -0.56 0.00 0.00 46.19 41.99 3gtg s LEU 908 CO 0.29 -0.89 0.89 -0.67 -1.06 0.00 0.00 176.35 174.91 3gtg n ASP 909 N 6.87 -0.34 0.14 1.48 4.64 -1.26 -4.79 116.55 123.29 3gtg n ASP 909 Ca 0.09 1.11 0.03 0.00 -1.38 0.00 0.00 54.79 54.64 3gtg n ASP 909 Cb 0.48 -0.90 0.18 0.00 -1.04 0.00 0.00 41.12 39.84 3gtg n ASP 909 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3gtg n PRO 910 N 1.32 0.05 -0.31 -0.67 -0.02 -1.26 -0.57 135.00 133.54 3gtg n PRO 910 Ca 0.19 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3gtg n PRO 910 Cb 0.12 -2.13 0.20 0.00 -0.02 0.00 0.00 33.50 31.67 3gtg n PRO 910 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtg n SER 911 N -1.83 2.73 0.00 2.55 3.41 -1.26 -3.95 113.62 115.27 3gtg n SER 911 Ca -0.00 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 3gtg n SER 911 Cb 0.48 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3gtg n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gtg n LEU 912 N 0.65 0.00 -3.85 1.04 4.77 0.26 -4.58 117.00 115.30 3gtg n LEU 912 Ca 0.15 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 3gtg n LEU 912 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3gtg n LEU 912 CO 0.12 0.00 -0.21 -0.22 -1.33 0.00 0.00 177.39 175.76 3gtg s LEU 913 N -1.60 1.55 0.21 2.23 2.96 -1.23 -2.58 118.68 120.22 3gtg s LEU 913 Ca 0.00 0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 3gtg s LEU 913 Cb 0.00 0.51 0.30 0.00 0.50 0.00 0.00 46.19 47.50 3gtg s LEU 913 CO 0.00 -0.17 1.74 -0.08 -1.32 0.00 0.00 176.35 176.52 3gtg h GLU 914 N 5.32 0.39 0.12 1.98 4.57 -1.67 -3.04 114.58 122.25 3gtg h GLU 914 Ca -0.27 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 3gtg h GLU 914 Cb 1.20 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3gtg h GLU 914 CO 0.42 0.25 -0.06 0.77 -1.18 0.00 0.00 179.01 179.21 3gtg h SER 915 N 0.40 -0.14 0.00 1.04 0.02 -1.86 -3.46 113.55 109.55 3gtg h SER 915 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3gtg h SER 915 Cb 0.41 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3gtg h SER 915 CO -0.33 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 3gtg n GLY 916 N -0.24 2.79 3.24 -3.77 0.00 -1.15 -4.30 105.19 101.76 3gtg n GLY 916 Ca -0.02 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 3gtg n GLY 916 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtg n SER 917 N 5.45 -3.03 -0.41 1.61 3.41 -1.26 -1.36 113.62 118.04 3gtg n SER 917 Ca 0.00 -0.47 -0.04 0.00 -0.26 0.00 0.00 58.87 58.10 3gtg n SER 917 Cb 0.00 -1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 3gtg n SER 917 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3gtg n GLU 918 N -4.06 -1.80 0.00 4.33 -0.00 -1.26 -4.53 120.64 113.33 3gtg n GLU 918 Ca 0.07 0.47 0.00 0.00 -0.00 0.00 0.00 57.16 57.69 3gtg n GLU 918 Cb 0.54 -4.40 0.00 0.00 -0.00 0.00 0.00 31.44 27.58 3gtg n GLU 918 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3gtg n ILE 919 N -1.48 0.00 -1.63 3.84 2.08 -0.46 -5.03 119.36 116.69 3gtg n ILE 919 Ca -0.04 0.00 -0.52 0.00 0.56 0.00 0.00 62.75 62.75 3gtg n ILE 919 Cb 0.36 -0.63 -0.06 0.00 -0.75 0.00 0.00 39.64 38.56 3gtg n ILE 919 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3gtg n LEU 920 N -2.23 2.09 0.00 1.39 0.00 -1.20 -3.99 117.00 113.05 3gtg n LEU 920 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.11 3gtg n LEU 920 Cb 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.66 3gtg n LEU 920 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 177.39 177.23 3gtg n GLY 921 N 3.04 0.94 1.74 -3.96 0.00 -1.21 -5.00 105.19 100.75 3gtg n GLY 921 Ca 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3gtg n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtg n ASP 922 N 0.00 -8.49 -0.02 1.61 -0.08 -1.26 -4.08 116.55 104.23 3gtg n ASP 922 Ca 0.00 1.27 0.01 0.00 -1.51 0.00 0.00 54.79 54.55 3gtg n ASP 922 Cb 0.00 -4.96 -0.01 0.00 2.34 0.00 0.00 41.12 38.50 3gtg n ASP 922 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3gtg n LEU 923 N -0.47 0.39 0.01 -2.67 4.77 -1.26 -4.22 117.00 113.55 3gtg n LEU 923 Ca 0.00 -0.64 0.08 0.00 -0.03 0.00 0.00 56.01 55.42 3gtg n LEU 923 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3gtg n LEU 923 CO 0.00 0.09 -0.57 0.29 -1.33 0.00 0.00 177.39 175.87 3gtg n LYS 924 N -0.72 0.65 -0.01 3.23 5.02 -1.26 -4.01 118.16 121.05 3gtg n LYS 924 Ca 0.01 -0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3gtg n LYS 924 Cb 0.04 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 3gtg n LYS 924 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gtg n LEU 925 N -2.46 0.27 0.00 -0.35 4.77 -1.26 -3.73 117.00 114.24 3gtg n LEU 925 Ca -0.06 0.11 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3gtg n LEU 925 Cb 0.65 0.14 0.27 0.00 -2.33 0.00 0.00 43.42 42.15 3gtg n LEU 925 CO 0.44 0.15 0.64 0.00 -1.33 0.00 0.00 177.39 177.29 3gtg n GLN 926 N -2.57 0.92 -0.07 3.23 1.13 -1.26 -0.39 117.38 118.38 3gtg n GLN 926 Ca -0.13 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.75 3gtg n GLN 926 Cb 0.78 -1.15 -0.13 0.00 0.11 0.00 0.00 30.24 29.85 3gtg n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gtg n VAL 927 N -0.65 1.61 0.19 5.09 0.31 -1.24 -3.26 118.33 120.37 3gtg n VAL 927 Ca 0.07 -0.63 0.08 0.00 -0.01 0.00 0.00 64.34 63.85 3gtg n VAL 927 Cb 0.03 -1.47 0.12 0.00 -0.91 0.00 0.00 33.84 31.61 3gtg n VAL 927 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3gtg h LEU 928 N 0.03 0.00 0.16 7.52 3.38 -1.59 0.03 115.31 124.85 3gtg h LEU 928 Ca -0.50 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.14 3gtg h LEU 928 Cb 1.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.74 3gtg h LEU 928 CO -0.00 0.19 -1.60 0.25 0.09 0.00 0.00 178.44 177.37 3gtg h LEU 929 N 0.00 0.54 -1.00 1.67 7.12 -0.91 -2.49 115.31 120.24 3gtg h LEU 929 Ca -0.00 -0.74 -0.03 0.00 0.13 0.00 0.00 57.88 57.25 3gtg h LEU 929 Cb 1.14 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.06 3gtg h LEU 929 CO 0.03 1.61 0.37 0.44 -0.13 0.00 0.00 178.44 180.75 3gtg h ASP 930 N 0.09 0.97 -0.27 1.25 3.32 -1.59 -2.26 116.42 117.94 3gtg h ASP 930 Ca -0.28 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.70 3gtg h ASP 930 Cb 2.07 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 41.34 3gtg h ASP 930 CO 0.19 0.82 0.07 -0.08 -1.72 0.00 0.00 179.24 178.51 3gtg h GLU 931 N 1.07 0.17 0.36 3.56 4.57 -1.02 -0.88 114.58 122.41 3gtg h GLU 931 Ca 0.26 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3gtg h GLU 931 Cb 0.10 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3gtg h GLU 931 CO -0.03 0.11 -0.33 1.49 -1.18 0.00 0.00 179.01 179.07 3gtg h GLU 932 N 0.18 -0.68 -0.31 1.92 4.81 -1.27 -3.09 114.58 116.13 3gtg h GLU 932 Ca 0.13 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3gtg h GLU 932 Cb 0.12 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3gtg h GLU 932 CO -0.15 -0.45 -0.05 -0.92 -0.73 0.00 0.00 179.01 176.70 3gtg h TYR 933 N -0.71 0.53 -0.10 0.92 3.20 -1.18 -2.06 116.97 117.57 3gtg h TYR 933 Ca -0.02 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3gtg h TYR 933 Cb 0.63 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3gtg h TYR 933 CO -0.18 0.55 0.05 -0.22 -1.64 0.00 0.00 178.16 176.72 3gtg h LYS 934 N 0.47 0.14 -0.73 1.82 3.64 -1.20 -2.35 116.57 118.37 3gtg h LYS 934 Ca 0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3gtg h LYS 934 Cb 0.39 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3gtg h LYS 934 CO 0.02 0.22 0.48 0.37 -2.27 0.00 0.00 179.45 178.27 3gtg h GLN 935 N 0.04 0.96 0.00 1.90 5.75 -1.31 0.21 115.11 122.66 3gtg h GLN 935 Ca 0.03 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.36 3gtg h GLN 935 Cb 0.12 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3gtg h GLN 935 CO -0.00 0.64 -0.56 -0.07 -2.65 0.00 0.00 178.83 176.19 3gtg h LEU 936 N 0.99 0.00 0.04 -2.39 3.38 -1.18 0.24 115.31 116.39 3gtg h LEU 936 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gtg h LEU 936 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3gtg h LEU 936 CO -0.06 0.56 -0.02 0.58 0.09 0.00 0.00 178.44 179.59 3gtg h VAL 937 N 0.00 1.36 0.00 1.22 2.07 -0.96 -2.12 116.25 117.82 3gtg h VAL 937 Ca -0.01 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3gtg h VAL 937 Cb 1.05 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3gtg h VAL 937 CO 0.07 0.36 0.31 0.50 0.02 0.00 0.00 177.57 178.83 3gtg h LYS 938 N -0.72 0.00 0.00 1.57 3.64 -0.30 0.25 116.57 121.01 3gtg h LYS 938 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gtg h LYS 938 Cb 0.63 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3gtg h LYS 938 CO 0.01 0.00 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.46 3gtg h ASP 939 N 0.00 0.00 -0.88 4.20 5.19 -0.51 -3.25 116.42 121.18 3gtg h ASP 939 Ca 0.00 -0.10 0.17 0.00 -0.62 0.00 0.00 57.03 56.49 3gtg h ASP 939 Cb 0.62 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 39.96 3gtg h ASP 939 CO 0.00 0.70 -0.22 -0.09 -3.12 0.00 0.00 179.24 176.51 3gtg h ARG 940 N -1.00 -0.00 0.00 3.56 2.43 0.17 1.22 114.38 120.76 3gtg h ARG 940 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gtg h ARG 940 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3gtg h ARG 940 CO -0.01 -0.00 0.00 -0.22 -1.51 0.00 0.00 179.97 178.23 3gtg h LYS 941 N -0.00 0.00 -0.10 0.20 3.64 -1.56 -1.71 116.57 117.03 3gtg h LYS 941 Ca 0.42 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.61 3gtg h LYS 941 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3gtg h LYS 941 CO -0.90 0.00 -0.73 0.35 -2.27 0.00 0.00 179.45 175.89 3gtg h PHE 942 N 0.00 0.69 0.43 1.91 3.57 0.13 -3.26 116.94 120.41 3gtg h PHE 942 Ca 0.00 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 3gtg h PHE 942 Cb 0.66 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3gtg h PHE 942 CO 0.00 1.08 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.88 3gtg h LEU 943 N 0.35 -0.49 -1.72 0.59 3.38 -0.27 -2.94 115.31 114.22 3gtg h LEU 943 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gtg h LEU 943 Cb 1.32 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3gtg h LEU 943 CO 0.13 -0.07 0.37 0.03 0.09 0.00 0.00 178.44 178.99 3gtg h ARG 944 N -1.04 0.00 0.18 1.13 3.08 -1.48 0.83 114.38 117.09 3gtg h ARG 944 Ca -0.06 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.69 3gtg h ARG 944 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.61 3gtg h ARG 944 CO 0.10 0.00 -1.35 1.49 -1.07 0.00 0.00 179.97 179.14 3gtg h GLU 945 N 0.00 0.41 0.00 0.04 4.81 -1.59 -3.28 114.58 114.97 3gtg h GLU 945 Ca 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3gtg h GLU 945 Cb 0.73 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3gtg h GLU 945 CO 0.00 1.33 -0.06 0.28 -0.73 0.00 0.00 179.01 179.83 3gtg h VAL 946 N 0.12 0.00 -1.86 0.32 2.07 0.71 -3.40 116.25 114.21 3gtg h VAL 946 Ca -0.19 -0.68 -0.68 0.00 0.82 0.00 0.00 66.70 65.97 3gtg h VAL 946 Cb 2.06 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.68 3gtg h VAL 946 CO 0.24 0.00 1.30 -0.36 0.02 0.00 0.00 177.57 178.77 3gtg s PHE 947 N -1.45 3.06 -0.14 1.57 0.40 0.48 -4.73 117.98 117.16 3gtg s PHE 947 Ca -0.02 -1.52 0.28 0.00 -0.60 0.00 0.00 56.93 55.08 3gtg s PHE 947 Cb 0.00 -4.44 1.29 0.00 0.51 0.00 0.00 43.02 40.38 3gtg s PHE 947 CO 0.02 -1.60 1.85 0.28 0.70 0.00 0.00 175.22 176.48 3gtg h VAL 948 N 5.67 0.00 -0.57 -0.44 2.07 -1.79 -3.15 116.25 118.04 3gtg h VAL 948 Ca 0.25 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3gtg h VAL 948 Cb 0.96 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3gtg h VAL 948 CO 1.26 0.00 0.28 0.44 0.02 0.00 0.00 177.57 179.57 3gtg h ASP 949 N 0.00 0.74 0.00 0.57 5.19 -1.88 -3.47 116.42 117.58 3gtg h ASP 949 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3gtg h ASP 949 Cb 0.29 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3gtg h ASP 949 CO 0.00 0.66 0.00 0.61 -3.12 0.00 0.00 179.24 177.39 3gtg n GLY 950 N -0.95 0.94 3.66 2.75 0.00 -1.19 -4.76 105.19 105.64 3gtg n GLY 950 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gtg n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gtg s GLU 951 N -0.62 4.20 0.23 1.61 2.56 -1.26 -4.66 118.70 120.76 3gtg s GLU 951 Ca 0.00 2.08 0.21 0.00 0.00 0.00 0.00 54.97 57.26 3gtg s GLU 951 Cb 0.00 -3.88 0.04 0.00 2.00 0.00 0.00 34.13 32.29 3gtg s GLU 951 CO 0.00 -0.79 1.14 0.00 -0.56 0.00 0.00 175.26 175.05 3gtg h ALA 952 N 9.06 0.64 -2.35 6.30 0.00 -1.96 -3.46 119.26 127.50 3gtg h ALA 952 Ca -0.37 -0.20 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 3gtg h ALA 952 Cb 1.17 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 3gtg h ALA 952 CO 0.95 0.23 -0.17 -0.80 0.00 0.00 0.00 179.25 179.46 3gtg s ASN 953 N -5.69 6.21 -0.02 0.00 0.01 -1.26 -0.50 114.94 113.68 3gtg s ASN 953 Ca 0.01 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.52 3gtg s ASN 953 Cb 0.08 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.52 3gtg s ASN 953 CO 0.77 -0.61 -0.02 0.26 -1.51 0.00 0.00 177.10 175.99 3gtg s TRP 954 N 2.21 0.36 -0.78 2.20 0.52 -1.25 -4.85 118.94 117.35 3gtg s TRP 954 Ca 0.13 -0.04 -0.27 0.00 0.02 0.00 0.00 56.10 55.95 3gtg s TRP 954 Cb -0.17 -0.36 -0.17 0.00 -1.15 0.00 0.00 33.47 31.63 3gtg s TRP 954 CO 0.14 -0.09 2.51 -2.30 0.02 0.00 0.00 176.95 177.24 3gtg n PRO 955 N 3.72 0.45 -4.35 4.98 -0.02 -1.26 -2.95 135.00 135.57 3gtg n PRO 955 Ca -0.22 -0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 60.99 3gtg n PRO 955 Cb 0.53 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3gtg n PRO 955 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gtg s LEU 956 N 9.95 2.16 0.79 2.45 1.43 -0.33 -4.82 118.68 130.31 3gtg s LEU 956 Ca 1.17 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 3gtg s LEU 956 Cb -0.70 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 3gtg s LEU 956 CO 0.37 0.03 0.49 -2.65 0.23 0.00 0.00 176.35 174.82 3gtg n PRO 957 N 1.99 0.13 -2.35 1.29 -0.02 -1.26 -2.27 135.00 132.50 3gtg n PRO 957 Ca -0.18 0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.39 3gtg n PRO 957 Cb 0.55 -1.84 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3gtg n PRO 957 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gtg n VAL 958 N -2.74 -4.70 -2.56 -1.45 0.31 -1.25 -4.84 118.33 101.09 3gtg n VAL 958 Ca 0.09 1.04 -0.43 0.00 -0.01 0.00 0.00 64.34 65.03 3gtg n VAL 958 Cb 0.51 -3.29 -0.02 0.00 -0.91 0.00 0.00 33.84 30.13 3gtg n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gtg s ASN 959 N -0.21 6.87 -0.02 4.52 3.84 -1.26 -4.92 114.94 123.76 3gtg s ASN 959 Ca -0.03 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.20 3gtg s ASN 959 Cb 0.00 -2.54 -0.26 0.00 -0.55 0.00 0.00 41.25 37.90 3gtg s ASN 959 CO 0.08 -0.92 0.74 0.40 -2.79 0.00 0.00 177.10 174.61 3gtg h ILE 960 N 5.76 1.01 -0.74 -5.21 2.04 -1.97 -2.96 117.51 115.45 3gtg h ILE 960 Ca -0.22 -2.72 0.14 0.00 1.00 0.00 0.00 64.86 63.06 3gtg h ILE 960 Cb 1.07 2.64 -0.14 0.00 -0.74 0.00 0.00 36.82 39.65 3gtg h ILE 960 CO 1.03 0.76 -0.22 -0.09 0.00 0.00 0.00 178.15 179.63 3gtg h ARG 961 N 0.05 -0.02 0.00 2.37 9.65 -2.01 -2.27 114.38 122.14 3gtg h ARG 961 Ca -0.28 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.55 3gtg h ARG 961 Cb 2.01 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.58 3gtg h ARG 961 CO 0.13 -0.02 -0.66 0.00 2.80 0.00 0.00 179.97 182.23 3gtg h ARG 962 N -0.03 0.00 0.00 0.20 3.08 -1.97 -3.06 114.38 112.60 3gtg h ARG 962 Ca 0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.28 3gtg h ARG 962 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3gtg h ARG 962 CO -0.77 0.18 -0.52 0.82 -1.07 0.00 0.00 179.97 178.61 3gtg h ILE 963 N 0.00 1.26 -0.03 2.04 2.04 -1.26 -0.28 117.51 121.27 3gtg h ILE 963 Ca -0.03 -1.84 -0.16 0.00 1.00 0.00 0.00 64.86 63.83 3gtg h ILE 963 Cb 1.21 2.02 0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3gtg h ILE 963 CO 0.03 0.51 -0.61 0.40 0.00 0.00 0.00 178.15 178.47 3gtg h ILE 964 N 0.00 1.39 -0.24 -0.67 1.08 -1.46 -2.12 117.51 115.50 3gtg h ILE 964 Ca -0.01 -2.01 -0.03 0.00 -0.39 0.00 0.00 64.86 62.42 3gtg h ILE 964 Cb 0.98 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 3gtg h ILE 964 CO 0.07 0.59 0.01 1.56 -0.69 0.00 0.00 178.15 179.69 3gtg h GLN 965 N 0.01 0.35 0.00 2.37 4.20 -1.50 0.21 115.11 120.75 3gtg h GLN 965 Ca -0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gtg h GLN 965 Cb 1.29 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3gtg h GLN 965 CO 0.12 0.37 0.00 -1.71 -0.67 0.00 0.00 178.83 176.94 3gtg n ASN 966 N -4.35 0.31 -0.11 1.46 5.15 -0.12 -3.14 115.26 114.46 3gtg n ASN 966 Ca 0.00 0.55 -0.21 0.00 -0.60 0.00 0.00 54.58 54.32 3gtg n ASN 966 Cb 0.19 -0.62 -0.08 0.00 -0.53 0.00 0.00 39.78 38.74 3gtg n ASN 966 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtg n ALA 967 N -1.62 0.96 0.93 5.20 0.00 -0.42 -3.86 120.51 121.70 3gtg n ALA 967 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3gtg n ALA 967 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3gtg n ALA 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg n GLN 968 N -4.38 0.93 0.00 0.00 10.64 0.61 -1.72 117.38 123.46 3gtg n GLN 968 Ca -0.36 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.81 3gtg n GLN 968 Cb 0.69 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 3gtg n GLN 968 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3gtg n GLN 969 N 0.08 2.96 0.23 2.61 -0.00 -1.19 -4.53 117.38 117.54 3gtg n GLN 969 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 3gtg n GLN 969 Cb 0.25 -0.72 0.42 0.00 -0.00 0.00 0.00 30.24 30.19 3gtg n GLN 969 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3gtg h THR 970 N 0.00 0.38 0.00 -0.39 2.02 -1.44 -3.30 112.91 110.18 3gtg h THR 970 Ca 0.00 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 3gtg h THR 970 Cb 0.10 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3gtg h THR 970 CO 0.00 0.17 -0.05 0.49 0.37 0.00 0.00 175.52 176.50 3gtg n PHE 971 N -3.26 0.00 -2.55 3.16 3.01 -0.93 -5.05 117.46 111.84 3gtg n PHE 971 Ca 0.01 -0.92 -0.05 0.00 1.01 0.00 0.00 57.45 57.50 3gtg n PHE 971 Cb 0.45 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3gtg n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3gtg n HIS 972 N -1.31 -0.37 -3.53 1.38 8.25 -1.24 -4.89 115.22 113.50 3gtg n HIS 972 Ca 0.15 0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 57.38 3gtg n HIS 972 Cb 0.65 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 3gtg n HIS 972 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3gtg s ILE 973 N -1.91 5.27 0.12 1.59 1.10 -1.26 -5.07 121.20 121.05 3gtg s ILE 973 Ca 0.01 0.28 -0.30 0.00 -0.51 0.00 0.00 60.65 60.13 3gtg s ILE 973 Cb -0.00 -3.58 -0.07 0.00 0.15 0.00 0.00 42.46 38.97 3gtg s ILE 973 CO 0.16 0.23 1.12 1.51 -2.11 0.00 0.00 174.94 175.85 3gtg s ASP 974 N 1.71 7.21 0.00 4.50 -4.77 -1.26 -4.92 116.67 119.14 3gtg s ASP 974 Ca 0.09 2.03 0.00 0.00 -3.30 0.00 0.00 52.55 51.37 3gtg s ASP 974 Cb -0.16 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 3gtg s ASP 974 CO 0.11 -0.31 0.42 1.41 0.70 0.00 0.00 175.17 177.50 3gtg n HIS 975 N 3.00 0.00 0.00 2.11 8.25 -1.26 -3.02 115.22 124.31 3gtg n HIS 975 Ca 0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3gtg n HIS 975 Cb 0.47 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3gtg n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gtg n THR 976 N 0.37 0.00 -3.86 1.59 -2.24 -1.26 -5.04 114.28 103.84 3gtg n THR 976 Ca 0.00 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 3gtg n THR 976 Cb 0.21 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 3gtg n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gtg s LYS 977 N -0.61 3.60 0.91 -0.78 1.02 -1.17 -5.07 119.74 117.64 3gtg s LYS 977 Ca 0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 3gtg s LYS 977 Cb 0.00 -3.21 0.11 0.00 -0.52 0.00 0.00 37.83 34.22 3gtg s LYS 977 CO 0.00 -0.13 0.99 -2.30 -0.92 0.00 0.00 175.35 172.99 3gtg n PRO 978 N 4.70 -0.33 -1.13 -1.68 -0.02 -1.26 -4.88 135.00 130.40 3gtg n PRO 978 Ca -0.17 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 60.98 3gtg n PRO 978 Cb 0.51 -2.27 0.24 0.00 -0.02 0.00 0.00 33.50 31.97 3gtg n PRO 978 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtg n SER 979 N -3.44 -1.83 -1.83 2.55 2.88 -1.07 -4.76 113.62 106.13 3gtg n SER 979 Ca 0.11 -1.20 0.02 0.00 -1.33 0.00 0.00 58.87 56.47 3gtg n SER 979 Cb 0.52 -1.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.03 3gtg n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3gtg n ASP 980 N -4.74 1.39 -4.83 -3.46 5.75 -1.26 -1.94 116.55 107.46 3gtg n ASP 980 Ca 0.15 -2.24 -0.22 0.00 -0.01 0.00 0.00 54.79 52.48 3gtg n ASP 980 Cb 0.58 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 3gtg n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gtg s LEU 981 N -1.52 3.45 0.13 -2.12 1.43 -1.26 -4.68 118.68 114.11 3gtg s LEU 981 Ca 0.33 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3gtg s LEU 981 Cb 0.37 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3gtg s LEU 981 CO -0.12 -0.45 0.03 -0.89 0.23 0.00 0.00 176.35 175.16 3gtg s THR 982 N -2.39 4.07 0.57 5.49 2.01 -1.26 -4.63 115.64 119.50 3gtg s THR 982 Ca 0.43 -1.11 0.30 0.00 0.31 0.00 0.00 61.69 61.62 3gtg s THR 982 Cb -0.04 -3.00 0.43 0.00 0.01 0.00 0.00 72.50 69.90 3gtg s THR 982 CO 0.26 0.01 1.84 0.40 -0.69 0.00 0.00 174.62 176.44 3gtg h ILE 983 N 2.57 0.39 0.34 1.82 1.08 -2.01 -0.43 117.51 121.27 3gtg h ILE 983 Ca -0.47 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3gtg h ILE 983 Cb 1.18 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 3gtg h ILE 983 CO 0.60 0.00 -0.16 0.11 -0.69 0.00 0.00 178.15 178.01 3gtg h LYS 984 N 0.00 -0.44 -0.81 2.37 1.57 -1.98 -2.36 116.57 114.92 3gtg h LYS 984 Ca 0.34 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.35 3gtg h LYS 984 Cb 1.60 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.88 3gtg h LYS 984 CO -0.00 -0.16 0.18 -0.44 -0.57 0.00 0.00 179.45 178.45 3gtg h ASP 985 N -0.69 -0.05 0.44 0.86 3.32 -1.46 0.25 116.42 119.08 3gtg h ASP 985 Ca -0.05 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3gtg h ASP 985 Cb 0.48 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3gtg h ASP 985 CO 0.08 -0.12 -0.21 0.40 -1.72 0.00 0.00 179.24 177.67 3gtg h ILE 986 N 0.22 0.00 -0.17 0.35 2.04 -1.62 -2.19 117.51 116.14 3gtg h ILE 986 Ca 0.48 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3gtg h ILE 986 Cb 0.90 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3gtg h ILE 986 CO -0.61 0.00 -0.19 0.58 0.00 0.00 0.00 178.15 177.93 3gtg h VAL 987 N -1.07 1.34 -0.00 1.67 2.07 -0.83 -0.09 116.25 119.34 3gtg h VAL 987 Ca -0.06 -1.38 -0.19 0.00 0.82 0.00 0.00 66.70 65.89 3gtg h VAL 987 Cb 0.46 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3gtg h VAL 987 CO 0.10 0.41 -0.84 0.25 0.02 0.00 0.00 177.57 177.51 3gtg h LEU 988 N 0.06 0.19 -0.38 2.57 6.46 -0.73 -3.25 115.31 120.23 3gtg h LEU 988 Ca 0.02 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.69 3gtg h LEU 988 Cb 0.74 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.56 3gtg h LEU 988 CO 0.05 0.94 0.05 1.23 -0.62 0.00 0.00 178.44 180.09 3gtg h GLY 989 N 1.96 0.42 0.78 3.75 0.00 -0.63 -1.55 103.07 107.80 3gtg h GLY 989 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3gtg h GLY 989 CO 0.12 -0.05 -0.03 -2.08 0.00 0.00 0.00 176.54 174.51 3gtg h VAL 990 N 0.17 1.28 -0.88 4.60 2.07 -1.16 -2.20 116.25 120.12 3gtg h VAL 990 Ca 0.18 -0.95 0.26 0.00 0.82 0.00 0.00 66.70 67.01 3gtg h VAL 990 Cb 0.23 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3gtg h VAL 990 CO -0.26 0.28 0.67 0.50 0.02 0.00 0.00 177.57 178.79 3gtg h LYS 991 N 0.03 0.00 0.03 1.57 1.63 -1.55 0.18 116.57 118.45 3gtg h LYS 991 Ca 0.04 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.62 3gtg h LYS 991 Cb 0.44 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3gtg h LYS 991 CO 0.01 0.00 -0.98 -0.44 -3.45 0.00 0.00 179.45 174.59 3gtg h ASP 992 N 0.00 0.28 0.08 4.20 5.19 -0.69 -3.34 116.42 122.13 3gtg h ASP 992 Ca 0.42 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3gtg h ASP 992 Cb 1.76 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.19 3gtg h ASP 992 CO -0.00 1.10 -0.04 0.25 -3.12 0.00 0.00 179.24 177.43 3gtg h LEU 993 N 0.09 -0.09 -1.69 1.55 5.85 -0.20 -3.03 115.31 117.81 3gtg h LEU 993 Ca -0.06 -0.49 0.25 0.00 0.84 0.00 0.00 57.88 58.42 3gtg h LEU 993 Cb 1.66 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 3gtg h LEU 993 CO 0.15 0.49 0.83 1.56 -0.34 0.00 0.00 178.44 181.13 3gtg h GLN 994 N -0.71 0.00 -0.57 1.25 4.20 -1.47 0.52 115.11 118.33 3gtg h GLN 994 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3gtg h GLN 994 Cb 0.57 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3gtg h GLN 994 CO 0.02 0.00 0.13 0.93 -0.67 0.00 0.00 178.83 179.24 3gtg h GLU 995 N 0.00 0.89 -0.20 1.46 4.39 -1.65 -3.28 114.58 116.19 3gtg h GLU 995 Ca 0.41 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3gtg h GLU 995 Cb 2.07 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.55 3gtg h GLU 995 CO -0.00 0.80 -0.12 0.27 -1.16 0.00 0.00 179.01 178.80 3gtg n ASN 996 N -4.26 2.64 -3.19 1.42 6.94 0.17 -4.70 115.26 114.29 3gtg n ASN 996 Ca 0.04 -3.49 -0.36 0.00 -0.02 0.00 0.00 54.58 50.75 3gtg n ASN 996 Cb 0.24 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.07 3gtg n ASN 996 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gtg n LEU 997 N -1.04 8.09 -4.67 -4.53 4.77 -1.21 -4.99 117.00 113.43 3gtg n LEU 997 Ca 0.24 -4.40 -0.34 0.00 -0.03 0.00 0.00 56.01 51.49 3gtg n LEU 997 Cb 0.86 -1.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.61 3gtg n LEU 997 CO 0.10 2.02 0.70 0.18 -1.33 0.00 0.00 177.39 179.06 3gtg n LEU 998 N 2.76 4.11 0.12 2.23 7.99 -1.26 -4.95 117.00 127.99 3gtg n LEU 998 Ca 0.69 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 57.27 3gtg n LEU 998 Cb 0.32 -1.48 0.00 0.00 -0.11 0.00 0.00 43.42 42.15 3gtg n LEU 998 CO 0.71 -1.82 -0.00 0.52 -1.51 0.00 0.00 177.39 175.28 3gtg n VAL 999 N -3.21 0.04 -3.97 4.08 0.31 -1.26 -4.87 118.33 109.45 3gtg n VAL 999 Ca 0.13 0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 64.13 3gtg n VAL 999 Cb 0.50 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.80 3gtg n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gtg s LEU 1000N -6.65 3.95 -0.10 7.52 1.43 -1.26 -5.02 118.68 118.54 3gtg s LEU 1000Ca 0.00 0.18 0.18 0.00 -1.03 0.00 0.00 54.13 53.46 3gtg s LEU 1000Cb 0.00 -1.99 -0.25 0.00 0.03 0.00 0.00 46.19 43.98 3gtg s LEU 1000CO 0.00 0.23 0.34 -1.14 0.23 0.00 0.00 176.35 176.01 3gtg n ARG 1001N 3.15 0.67 -1.40 1.70 3.00 -1.26 -4.88 116.66 117.64 3gtg n ARG 1001Ca -0.17 0.01 -0.39 0.00 -0.00 0.00 0.00 57.85 57.30 3gtg n ARG 1001Cb 0.53 -1.59 0.03 0.00 0.00 0.00 0.00 32.46 31.42 3gtg n ARG 1001CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gtg n GLY 1002N 1.56 -2.01 0.53 5.14 0.00 -1.26 -4.94 105.19 104.21 3gtg n GLY 1002Ca -0.21 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.75 3gtg n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtg n LYS 1003N 0.45 1.48 -0.08 1.61 4.81 -1.26 -4.40 118.16 120.76 3gtg n LYS 1003Ca 0.11 -1.09 -0.01 0.00 -0.87 0.00 0.00 58.31 56.44 3gtg n LYS 1003Cb 0.47 -1.41 0.01 0.00 0.02 0.00 0.00 35.03 34.12 3gtg n LYS 1003CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3gtg n ASN 1004N 0.17 -0.19 0.00 3.14 0.23 -1.26 -4.92 115.26 112.42 3gtg n ASN 1004Ca 0.09 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 3gtg n ASN 1004Cb 0.45 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3gtg n ASN 1004CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3gtg n GLU 1005N -1.23 0.00 0.27 -3.83 4.07 -1.26 -3.30 120.64 115.36 3gtg n GLU 1005Ca 0.01 0.48 0.12 0.00 -0.06 0.00 0.00 57.16 57.71 3gtg n GLU 1005Cb 0.03 -1.26 0.77 0.00 -0.06 0.00 0.00 31.44 30.91 3gtg n GLU 1005CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 3gtg h ILE 1006N 0.00 0.68 0.61 6.31 -2.65 -1.97 -2.04 117.51 118.45 3gtg h ILE 1006Ca 0.00 -0.26 -0.03 0.00 1.03 0.00 0.00 64.86 65.60 3gtg h ILE 1006Cb 0.00 1.16 0.01 0.00 -2.05 0.00 0.00 36.82 35.93 3gtg h ILE 1006CO 0.00 0.06 -0.29 0.40 0.03 0.00 0.00 178.15 178.35 3gtg h ILE 1007N 0.00 0.00 0.00 0.16 1.08 -1.91 -1.20 117.51 115.64 3gtg h ILE 1007Ca -0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3gtg h ILE 1007Cb 0.15 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 3gtg h ILE 1007CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 3gtg n GLN 1008N -4.75 0.07 0.07 2.37 1.13 -1.09 0.03 117.38 115.21 3gtg n GLN 1008Ca -0.10 0.53 0.05 0.00 -1.94 0.00 0.00 57.00 55.54 3gtg n GLN 1008Cb 0.32 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.91 3gtg n GLN 1008CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 3gtg h ASN 1009N 0.00 0.00 0.29 1.08 -1.24 -1.14 -2.74 115.58 111.83 3gtg h ASN 1009Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.79 3gtg h ASN 1009Cb 0.06 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.07 3gtg h ASN 1009CO 0.00 0.32 -1.91 0.00 -1.29 0.00 0.00 177.43 174.55 3gtg n ALA 1010N -2.29 1.91 -0.11 1.57 0.00 -0.38 -3.31 120.51 117.90 3gtg n ALA 1010Ca -0.05 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.60 3gtg n ALA 1010Cb 0.71 -0.63 0.39 0.00 0.00 0.00 0.00 19.45 19.92 3gtg n ALA 1010CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3gtg h GLN 1011N 0.00 0.65 0.01 0.00 5.75 -0.52 0.33 115.11 121.33 3gtg h GLN 1011Ca -0.28 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 57.97 3gtg h GLN 1011Cb 1.75 -0.15 0.02 0.00 1.07 0.00 0.00 27.48 30.17 3gtg h GLN 1011CO 0.03 0.43 -0.82 -0.09 -2.65 0.00 0.00 178.83 175.73 3gtg h ARG 1012N 0.67 0.54 0.00 1.69 2.43 -1.61 -3.27 114.38 114.83 3gtg h ARG 1012Ca 0.25 -0.59 -0.07 0.00 -0.81 0.00 0.00 59.98 58.76 3gtg h ARG 1012Cb 0.16 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3gtg h ARG 1012CO -0.07 1.21 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.84 3gtg h ASP 1013N 0.12 0.00 1.34 -3.80 5.19 -1.45 -2.48 116.42 115.34 3gtg h ASP 1013Ca -0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 3gtg h ASP 1013Cb 1.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.02 3gtg h ASP 1013CO 0.16 0.32 -0.01 0.00 -3.12 0.00 0.00 179.24 176.60 3gtg h ALA 1014N 1.68 1.00 -0.01 3.45 0.00 -0.41 -3.13 119.26 121.83 3gtg h ALA 1014Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gtg h ALA 1014Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gtg h ALA 1014CO 0.04 0.01 -0.15 0.28 0.00 0.00 0.00 179.25 179.43 3gtg n VAL 1015N -3.10 0.00 -0.32 0.00 0.31 -1.15 -4.69 118.33 109.38 3gtg n VAL 1015Ca 0.02 -0.42 0.16 0.00 -0.01 0.00 0.00 64.34 64.09 3gtg n VAL 1015Cb 0.38 1.13 0.36 0.00 -0.91 0.00 0.00 33.84 34.80 3gtg n VAL 1015CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3gtg h THR 1016N 1.24 0.42 0.39 2.52 2.02 -1.39 -1.96 112.91 116.15 3gtg h THR 1016Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3gtg h THR 1016Cb 0.34 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3gtg h THR 1016CO 0.00 0.07 -0.19 0.25 0.37 0.00 0.00 175.52 176.03 3gtg h LEU 1017N 0.39 -0.44 -1.04 2.58 6.46 -1.84 -3.28 115.31 118.15 3gtg h LEU 1017Ca 0.61 0.02 0.34 0.00 -0.12 0.00 0.00 57.88 58.73 3gtg h LEU 1017Cb 1.24 0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 41.13 3gtg h LEU 1017CO -0.56 -0.01 0.59 0.15 -0.62 0.00 0.00 178.44 178.00 3gtg h PHE 1018N -1.13 0.89 -0.40 1.25 3.57 -1.76 -0.90 116.94 118.47 3gtg h PHE 1018Ca -0.05 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3gtg h PHE 1018Cb 0.40 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3gtg h PHE 1018CO 0.00 -0.21 -0.19 0.00 -2.23 0.00 0.00 178.31 175.69 3gtg h LEU 1021N 0.00 -0.13 -0.08 0.00 5.85 -1.49 -2.81 115.31 116.65 3gtg h LEU 1021Ca -0.00 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3gtg h LEU 1021Cb 0.37 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3gtg h LEU 1021CO 0.02 0.22 -0.16 0.25 -0.34 0.00 0.00 178.44 178.43 3gtg h LEU 1022N -0.50 -0.48 -1.82 2.25 5.85 -0.19 0.11 115.31 120.53 3gtg h LEU 1022Ca -0.02 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3gtg h LEU 1022Cb 0.40 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3gtg h LEU 1022CO 0.03 -0.21 0.28 0.03 -0.34 0.00 0.00 178.44 178.22 3gtg h ARG 1023N -0.22 0.21 0.00 1.25 3.08 0.21 0.38 114.38 119.29 3gtg h ARG 1023Ca 0.08 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3gtg h ARG 1023Cb 0.33 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3gtg h ARG 1023CO -0.21 0.14 -1.26 0.66 -1.07 0.00 0.00 179.97 178.23 3gtg h SER 1024N 0.22 0.00 0.37 7.04 4.64 -0.89 -3.30 113.55 121.62 3gtg h SER 1024Ca 0.18 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.19 3gtg h SER 1024Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3gtg h SER 1024CO -0.03 0.55 -1.78 0.03 -0.87 0.00 0.00 176.83 174.73 3gtg h ARG 1025N 0.00 0.12 -2.51 4.77 -0.00 -0.47 -3.37 114.38 112.92 3gtg h ARG 1025Ca -0.13 -0.21 -0.78 0.00 -0.50 0.00 0.00 59.98 58.36 3gtg h ARG 1025Cb 1.54 0.08 -0.30 0.00 0.00 0.00 0.00 29.97 31.29 3gtg h ARG 1025CO 0.05 0.83 0.69 1.28 0.00 0.00 0.00 179.97 182.81 3gtg n LEU 1026N -3.25 6.52 -4.36 3.04 4.77 0.09 -4.68 117.00 119.13 3gtg n LEU 1026Ca -0.22 -5.35 -0.33 0.00 -0.03 0.00 0.00 56.01 50.08 3gtg n LEU 1026Cb 1.05 -1.12 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 3gtg n LEU 1026CO 0.45 1.94 -0.48 0.00 -1.33 0.00 0.00 177.39 177.97 3gtg s ALA 1027N -3.55 2.51 0.29 -1.18 0.00 -1.24 -4.78 121.76 113.81 3gtg s ALA 1027Ca 0.37 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3gtg s ALA 1027Cb 0.14 -1.05 0.69 0.00 0.00 0.00 0.00 23.12 22.90 3gtg s ALA 1027CO -0.03 0.33 1.61 1.15 0.00 0.00 0.00 175.76 178.83 3gtg h THR 1028N 5.20 0.19 0.00 0.00 2.02 -1.90 0.56 112.91 118.97 3gtg h THR 1028Ca -0.29 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3gtg h THR 1028Cb 1.20 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3gtg h THR 1028CO 0.52 0.02 0.00 -1.14 0.37 0.00 0.00 175.52 175.29 3gtg n ARG 1029N -5.36 0.11 -0.04 6.66 0.00 -1.26 -2.69 116.66 114.07 3gtg n ARG 1029Ca 0.21 0.24 -0.01 0.00 -0.00 0.00 0.00 57.85 58.29 3gtg n ARG 1029Cb 0.69 -1.67 -0.00 0.00 0.00 0.00 0.00 32.46 31.48 3gtg n ARG 1029CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gtg h ARG 1030N 0.00 0.00 0.00 -0.14 3.08 -0.13 -3.33 114.38 113.86 3gtg h ARG 1030Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gtg h ARG 1030Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3gtg h ARG 1030CO 0.00 0.00 0.23 0.28 -1.07 0.00 0.00 179.97 179.41 3gtg h VAL 1031N -0.65 0.00 0.00 2.04 2.07 -1.12 0.44 116.25 119.03 3gtg h VAL 1031Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gtg h VAL 1031Cb 0.11 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3gtg h VAL 1031CO 0.00 0.00 -0.04 0.18 0.02 0.00 0.00 177.57 177.73 3gtg n LEU 1032N -2.13 2.14 0.10 2.57 4.77 -1.10 -2.73 117.00 120.63 3gtg n LEU 1032Ca -0.01 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 3gtg n LEU 1032Cb 0.26 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3gtg n LEU 1032CO 0.07 0.66 -0.01 0.00 -1.33 0.00 0.00 177.39 176.79 3gtg n GLN 1033N -1.29 0.00 0.06 3.23 1.13 0.15 -4.86 117.38 115.80 3gtg n GLN 1033Ca 0.14 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.98 3gtg n GLN 1033Cb 0.63 -0.02 -0.15 0.00 0.11 0.00 0.00 30.24 30.81 3gtg n GLN 1033CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3gtg h GLU 1034N 0.00 0.35 -2.88 -1.09 5.08 -1.60 -3.42 114.58 111.02 3gtg h GLU 1034Ca 0.00 -0.60 -0.60 0.00 -1.00 0.00 0.00 59.36 57.16 3gtg h GLU 1034Cb 0.02 0.22 -0.40 0.00 0.50 0.00 0.00 28.75 29.09 3gtg h GLU 1034CO 0.00 1.29 -0.77 1.52 -1.00 0.00 0.00 179.01 180.05 3gtg s TYR 1035N -2.53 1.68 -0.45 4.33 -0.85 -1.23 -5.08 117.35 113.21 3gtg s TYR 1035Ca -0.16 -2.23 -0.26 0.00 -0.52 0.00 0.00 57.07 53.89 3gtg s TYR 1035Cb 0.04 -1.65 -0.06 0.00 0.38 0.00 0.00 41.96 40.68 3gtg s TYR 1035CO 0.83 -0.79 2.35 1.03 -1.52 0.00 0.00 175.55 177.45 3gtg s ARG 1036N 0.51 2.29 0.27 -3.49 0.52 -1.26 -4.62 118.95 113.18 3gtg s ARG 1036Ca 0.18 1.48 -0.03 0.00 -0.52 0.00 0.00 55.73 56.84 3gtg s ARG 1036Cb -0.24 -4.54 -0.04 0.00 0.52 0.00 0.00 34.95 30.65 3gtg s ARG 1036CO 0.00 -3.06 0.50 -0.51 0.02 0.00 0.00 175.30 172.25 3gtg s LEU 1037N 11.43 4.10 0.00 2.53 1.43 -1.10 -4.96 118.68 132.10 3gtg s LEU 1037Ca 0.97 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 3gtg s LEU 1037Cb -0.19 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3gtg s LEU 1037CO 0.27 -0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.04 3gtg n THR 1038N -1.01 0.00 -0.03 5.49 -2.24 -1.26 -4.70 114.28 110.53 3gtg n THR 1038Ca -0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3gtg n THR 1038Cb 0.54 -1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3gtg n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gtg h LYS 1039N 0.00 -0.01 -0.66 -0.78 3.11 -1.98 -3.05 116.57 113.20 3gtg h LYS 1039Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 3gtg h LYS 1039Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 3gtg h LYS 1039CO 0.00 -0.00 0.39 0.37 -2.81 0.00 0.00 179.45 177.39 3gtg h GLN 1040N -0.62 0.91 0.00 1.90 4.15 -1.97 -1.88 115.11 117.60 3gtg h GLN 1040Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3gtg h GLN 1040Cb 0.01 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3gtg h GLN 1040CO 0.00 0.66 0.00 0.00 -1.93 0.00 0.00 178.83 177.56 3gtg h ALA 1041N 1.20 1.00 0.00 3.38 0.00 -1.97 -1.50 119.26 121.37 3gtg h ALA 1041Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gtg h ALA 1041Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gtg h ALA 1041CO -0.04 0.00 -0.06 0.35 0.00 0.00 0.00 179.25 179.50 3gtg h PHE 1042N 0.00 0.00 -0.73 0.00 3.57 -1.23 -3.13 116.94 115.42 3gtg h PHE 1042Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 3gtg h PHE 1042Cb 0.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3gtg h PHE 1042CO 0.00 0.00 0.84 -0.44 -2.23 0.00 0.00 178.31 176.48 3gtg h ASP 1043N -0.63 0.00 0.05 0.41 3.32 -1.20 0.67 116.42 119.04 3gtg h ASP 1043Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtg h ASP 1043Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gtg h ASP 1043CO 0.00 0.00 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.24 3gtg h TRP 1044N 0.00 -0.07 -0.96 4.55 7.01 -1.41 -0.32 115.95 124.76 3gtg h TRP 1044Ca 0.35 -0.00 0.30 0.00 2.11 0.00 0.00 58.89 61.64 3gtg h TRP 1044Cb 2.03 0.02 -0.15 0.00 -2.10 0.00 0.00 29.16 28.95 3gtg h TRP 1044CO 0.00 -0.04 0.39 0.28 -2.79 0.00 0.00 178.44 176.28 3gtg h VAL 1045N -0.10 0.23 0.41 2.65 2.07 0.31 0.76 116.25 122.58 3gtg h VAL 1045Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gtg h VAL 1045Cb 0.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3gtg h VAL 1045CO 0.01 0.04 -0.34 0.25 0.02 0.00 0.00 177.57 177.55 3gtg h LEU 1046N 0.20 -0.92 -2.20 2.57 6.46 -1.04 -2.18 115.31 118.21 3gtg h LEU 1046Ca 0.67 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.50 3gtg h LEU 1046Cb 1.51 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 41.73 3gtg h LEU 1046CO -0.68 -0.48 0.00 -1.28 -0.62 0.00 0.00 178.44 175.38 3gtg h SER 1047N -0.73 0.00 0.17 1.25 0.87 0.21 -2.17 113.55 113.15 3gtg h SER 1047Ca -0.05 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.27 3gtg h SER 1047Cb 0.62 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3gtg h SER 1047CO -0.00 0.00 -1.09 -1.13 -0.53 0.00 0.00 176.83 174.07 3gtg h ASN 1048N 0.00 0.55 -0.00 6.23 -0.00 -0.14 -3.10 115.58 119.11 3gtg h ASN 1048Ca 0.00 -0.93 -0.12 0.00 -0.00 0.00 0.00 56.30 55.25 3gtg h ASN 1048Cb 0.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 3gtg h ASN 1048CO 0.00 1.52 -0.38 0.40 -0.00 0.00 0.00 177.43 178.97 3gtg h ILE 1049N -0.23 1.30 0.14 2.57 2.04 -0.75 0.29 117.51 122.87 3gtg h ILE 1049Ca -0.20 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.15 3gtg h ILE 1049Cb 1.80 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 3gtg h ILE 1049CO 0.17 0.47 -0.16 -0.08 0.00 0.00 0.00 178.15 178.55 3gtg h GLU 1050N 0.42 -0.32 0.45 2.37 4.81 -1.63 -1.72 114.58 118.96 3gtg h GLU 1050Ca 0.04 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3gtg h GLU 1050Cb 0.85 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3gtg h GLU 1050CO 0.07 -0.21 -0.38 0.00 -0.73 0.00 0.00 179.01 177.76 3gtg h ALA 1051N 0.49 -0.87 -0.77 2.92 0.00 -1.34 -1.98 119.26 117.70 3gtg h ALA 1051Ca 0.01 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.95 3gtg h ALA 1051Cb 0.32 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3gtg h ALA 1051CO -0.05 -1.02 0.53 1.96 0.00 0.00 0.00 179.25 180.67 3gtg h GLN 1052N -0.83 0.25 0.72 0.00 1.08 -0.46 -2.86 115.11 113.01 3gtg h GLN 1052Ca -0.04 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3gtg h GLN 1052Cb 0.72 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 28.10 3gtg h GLN 1052CO -0.02 0.16 -0.35 0.35 -0.95 0.00 0.00 178.83 178.02 3gtg h PHE 1053N 0.25 -0.90 0.00 2.96 3.57 -0.54 -3.09 116.94 119.19 3gtg h PHE 1053Ca 0.38 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3gtg h PHE 1053Cb 1.12 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.16 3gtg h PHE 1053CO -0.00 -0.56 0.00 1.28 -2.23 0.00 0.00 178.31 176.80 3gtg n LEU 1054N -5.31 0.00 0.05 0.59 4.77 -1.04 0.18 117.00 116.24 3gtg n LEU 1054Ca -0.12 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 3gtg n LEU 1054Cb 0.38 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3gtg n LEU 1054CO 0.29 -0.25 0.43 0.03 -1.33 0.00 0.00 177.39 176.56 3gtg h ARG 1055N 0.00 0.37 -0.01 3.23 3.08 -1.46 -3.32 114.38 116.27 3gtg h ARG 1055Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3gtg h ARG 1055Cb 0.10 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3gtg h ARG 1055CO 0.00 0.89 -0.01 0.43 -1.07 0.00 0.00 179.97 180.21 3gtg n SER 1056N -3.88 1.06 -4.64 7.04 7.64 0.48 -4.87 113.62 116.46 3gtg n SER 1056Ca -0.03 -1.32 -0.33 0.00 1.01 0.00 0.00 58.87 58.20 3gtg n SER 1056Cb 0.65 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.98 3gtg n SER 1056CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gtg n VAL 1057N -0.19 1.36 -2.98 0.44 0.31 -1.18 -2.61 118.33 113.48 3gtg n VAL 1057Ca 0.20 -0.18 -0.37 0.00 -0.01 0.00 0.00 64.34 63.99 3gtg n VAL 1057Cb 0.29 -1.05 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 3gtg n VAL 1057CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gtg s VAL 1058N -2.25 4.43 -0.18 2.52 1.01 -0.04 -4.10 120.40 121.80 3gtg s VAL 1058Ca 0.70 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.97 3gtg s VAL 1058Cb -0.27 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3gtg s VAL 1058CO 0.55 0.20 0.56 -1.00 0.00 0.00 0.00 175.10 175.40 3gtg s HIS 1059N -1.54 3.41 -0.16 5.22 3.76 -1.26 -4.96 115.29 119.75 3gtg s HIS 1059Ca 0.45 0.87 -0.39 0.00 -0.15 0.00 0.00 55.06 55.84 3gtg s HIS 1059Cb -0.18 -2.70 -0.16 0.00 1.11 0.00 0.00 32.58 30.65 3gtg s HIS 1059CO 0.22 -0.07 1.59 -2.30 -0.85 0.00 0.00 174.74 173.33 3gtg n PRO 1060N 4.64 1.08 0.00 8.40 -0.02 -1.26 -2.03 135.00 145.80 3gtg n PRO 1060Ca -0.04 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3gtg n PRO 1060Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3gtg n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtg n GLY 1061N 3.59 0.84 3.62 -1.23 0.00 -1.14 -4.93 105.19 105.95 3gtg n GLY 1061Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3gtg n GLY 1061CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtg s GLU 1062N 0.00 3.63 -0.71 1.61 2.02 -0.86 -1.69 118.70 122.70 3gtg s GLU 1062Ca 0.00 1.94 -0.27 0.00 0.02 0.00 0.00 54.97 56.65 3gtg s GLU 1062Cb 0.00 -4.18 0.03 0.00 0.10 0.00 0.00 34.13 30.08 3gtg s GLU 1062CO 0.00 -1.52 1.27 -1.64 0.02 0.00 0.00 175.26 173.39 3gtg s MET 1063N 5.22 3.25 0.01 1.61 -1.94 -1.26 -2.54 119.30 123.65 3gtg s MET 1063Ca 0.84 -0.13 0.26 0.00 -1.71 0.00 0.00 55.69 54.95 3gtg s MET 1063Cb -0.31 -4.15 0.76 0.00 2.01 0.00 0.00 34.83 33.15 3gtg s MET 1063CO 0.34 -2.06 1.60 0.28 -0.01 0.00 0.00 175.02 175.16 3gtg n VAL 1064N 6.45 0.04 0.12 -6.03 0.31 0.21 -3.48 118.33 115.95 3gtg n VAL 1064Ca 0.04 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 3gtg n VAL 1064Cb 0.49 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.34 3gtg n VAL 1064CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3gtg h GLY 1065N 4.95 -0.33 -0.56 2.92 0.00 -1.15 0.28 103.07 109.17 3gtg h GLY 1065Ca 0.00 0.12 0.27 0.00 0.00 0.00 0.00 47.33 47.72 3gtg h GLY 1065CO 0.00 -0.12 0.30 -2.08 0.00 0.00 0.00 176.54 174.64 3gtg h VAL 1066N -0.42 0.25 0.01 4.60 2.07 -1.68 0.45 116.25 121.53 3gtg h VAL 1066Ca -0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3gtg h VAL 1066Cb 0.24 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3gtg h VAL 1066CO 0.05 0.04 -0.00 0.25 0.02 0.00 0.00 177.57 177.93 3gtg h LEU 1067N 0.19 -0.01 -0.59 2.57 7.12 -1.58 -2.95 115.31 120.07 3gtg h LEU 1067Ca 0.61 -0.10 -0.15 0.00 0.13 0.00 0.00 57.88 58.38 3gtg h LEU 1067Cb 1.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.44 3gtg h LEU 1067CO -0.69 0.09 -0.55 0.00 -0.13 0.00 0.00 178.44 177.17 3gtg h ALA 1068N 0.89 0.78 0.08 1.25 0.00 0.11 -1.85 119.26 120.52 3gtg h ALA 1068Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gtg h ALA 1068Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gtg h ALA 1068CO 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 3gtg h ALA 1069N 1.07 -0.95 -0.64 0.00 0.00 -1.18 -2.96 119.26 114.60 3gtg h ALA 1069Ca 0.01 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3gtg h ALA 1069Cb 1.07 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 3gtg h ALA 1069CO 0.10 -0.94 -0.07 1.04 0.00 0.00 0.00 179.25 179.37 3gtg n GLN 1070N -2.29 -0.05 0.00 0.00 6.02 -1.11 0.13 117.38 120.08 3gtg n GLN 1070Ca -0.01 0.98 0.05 0.00 -0.01 0.00 0.00 57.00 58.00 3gtg n GLN 1070Cb 0.04 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.03 3gtg n GLN 1070CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3gtg n SER 1071N -4.94 0.00 -0.04 1.08 7.64 -0.70 -0.83 113.62 115.84 3gtg n SER 1071Ca 0.13 0.39 -0.04 0.00 1.01 0.00 0.00 58.87 60.36 3gtg n SER 1071Cb 0.41 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 3gtg n SER 1071CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gtg n ILE 1072N -1.43 0.49 0.14 0.44 5.41 0.36 -4.55 119.36 120.22 3gtg n ILE 1072Ca 0.03 -0.30 0.03 0.00 1.00 0.00 0.00 62.75 63.52 3gtg n ILE 1072Cb 0.11 -0.81 0.42 0.00 -0.71 0.00 0.00 39.64 38.65 3gtg n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3gtg h GLY 1073N 1.37 0.20 0.24 7.39 0.00 0.69 -2.13 103.07 110.83 3gtg h GLY 1073Ca -0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3gtg h GLY 1073CO 0.01 0.11 -0.08 -2.09 0.00 0.00 0.00 176.54 174.49 3gtg h GLU 1074N 0.18 -0.22 -0.20 4.80 4.22 -1.23 -2.22 114.58 119.91 3gtg h GLU 1074Ca 0.04 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.50 3gtg h GLU 1074Cb 0.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3gtg h GLU 1074CO 0.02 0.07 0.11 -1.35 -2.18 0.00 0.00 179.01 175.69 3gtg h PRO 1075N -0.99 0.23 -0.51 0.92 0.11 -1.79 -0.77 132.00 129.19 3gtg h PRO 1075Ca -0.02 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.12 3gtg h PRO 1075Cb 0.40 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.39 3gtg h PRO 1075CO 0.04 0.15 -0.36 0.00 -0.21 0.00 0.00 178.00 177.62 3gtg h ALA 1076N 1.08 -0.42 -0.01 -0.75 0.00 -1.53 1.16 119.26 118.80 3gtg h ALA 1076Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gtg h ALA 1076Cb -0.01 1.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gtg h ALA 1076CO -0.03 -0.65 -0.02 1.15 0.00 0.00 0.00 179.25 179.70 3gtg h THR 1077N -0.07 0.00 0.15 0.00 2.02 -0.54 -1.64 112.91 112.82 3gtg h THR 1077Ca 0.08 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.90 3gtg h THR 1077Cb 0.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3gtg h THR 1077CO -0.52 0.00 -1.89 0.06 0.37 0.00 0.00 175.52 173.54 3gtg h GLN 1078N -0.01 0.32 0.04 6.66 -0.00 -1.11 -3.37 115.11 117.64 3gtg h GLN 1078Ca 0.00 -0.55 -0.00 0.00 -0.00 0.00 0.00 58.65 58.10 3gtg h GLN 1078Cb 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 27.48 27.70 3gtg h GLN 1078CO -0.02 1.26 -0.02 0.52 -0.00 0.00 0.00 178.83 180.58 3gtg h MET 1079N 0.08 -0.05 -0.08 0.06 2.86 0.11 -3.39 114.93 114.52 3gtg h MET 1079Ca -0.39 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3gtg h MET 1079Cb 2.06 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.72 3gtg h MET 1079CO 0.13 -0.01 -0.00 0.00 1.06 0.00 0.00 176.91 178.09 3gtg h THR 1080N -1.01 0.94 -1.36 2.22 1.03 0.69 -3.41 112.91 112.01 3gtg h THR 1080Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 3gtg h THR 1080Cb 0.06 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 3gtg h THR 1080CO 0.01 0.00 0.00 -0.11 -0.01 0.00 0.00 175.52 175.41 3gtg n LEU 1081N -5.11 0.00 -3.26 0.00 -0.00 -1.05 -4.66 117.00 102.92 3gtg n LEU 1081Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.82 3gtg n LEU 1081Cb 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.54 3gtg n LEU 1081CO 0.30 -0.38 0.06 0.59 -0.00 0.00 0.00 177.39 177.96 3gtg n ASN 1082N -1.57 -6.70 -3.22 1.96 3.02 -1.26 -4.89 115.26 102.60 3gtg n ASN 1082Ca 0.00 -0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 53.70 3gtg n ASN 1082Cb 0.00 -5.10 -0.07 0.00 -0.61 0.00 0.00 39.78 34.00 3gtg n ASN 1082CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gtg n THR 1083N -3.12 0.00 0.00 3.41 -2.24 -1.26 -5.01 114.28 106.06 3gtg n THR 1083Ca -0.06 -2.39 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 3gtg n THR 1083Cb 0.60 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 3gtg n THR 1083CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3gtg n PHE 1084N -0.63 0.00 0.00 4.78 -1.74 -1.26 -5.01 117.46 113.60 3gtg n PHE 1084Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 3gtg n PHE 1084Cb 0.61 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.59 3gtg n PHE 1084CO 0.00 0.00 0.00 -2.39 -0.56 0.00 0.00 176.76 173.81 3gtg n HIS 1085N -1.10 0.00 -3.52 2.97 1.44 -1.26 -5.03 115.22 108.72 3gtg n HIS 1085Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 3gtg n HIS 1085Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3gtg n HIS 1085CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3gtg n PHE 1086N -0.02 -0.73 0.00 -1.40 3.72 -1.26 -5.00 117.46 112.78 3gtg n PHE 1086Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 3gtg n PHE 1086Cb 0.00 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3gtg n PHE 1086CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gtg n ALA 1087N -2.56 -1.94 -1.31 4.37 0.00 -1.26 -5.04 120.51 112.77 3gtg n ALA 1087Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3gtg n ALA 1087Cb 0.11 -0.35 0.21 0.00 0.00 0.00 0.00 19.45 19.42 3gtg n ALA 1087CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gtg s GLY 1088N -0.79 1.61 0.00 0.00 0.00 -1.26 -5.10 107.32 101.78 3gtg s GLY 1088Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3gtg s GLY 1088CO 0.00 -0.08 0.00 1.55 0.00 0.00 0.00 173.10 174.57 3gtg n VAL 1089N -4.37 0.00 -3.65 1.40 3.14 -1.26 -4.91 118.33 108.68 3gtg n VAL 1089Ca 0.12 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.45 3gtg n VAL 1089Cb 0.59 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.32 3gtg n VAL 1089CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gtg s ALA 1090N -1.50 -1.95 0.38 1.55 0.00 -1.26 -5.06 121.76 113.92 3gtg s ALA 1090Ca 0.00 2.38 0.00 0.00 0.00 0.00 0.00 51.96 54.34 3gtg s ALA 1090Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3gtg s ALA 1090CO 0.00 -0.64 0.00 0.43 0.00 0.00 0.00 175.76 175.55 3gtg n SER 1091N 4.86 -6.52 -0.06 0.00 7.64 -1.26 -5.03 113.62 113.24 3gtg n SER 1091Ca -0.16 0.90 -0.04 0.00 1.01 0.00 0.00 58.87 60.58 3gtg n SER 1091Cb 0.54 -3.21 -0.01 0.00 -1.01 0.00 0.00 64.21 60.52 3gtg n SER 1091CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gtg n LYS 1092N -0.92 0.38 -0.11 1.43 4.76 -1.26 -5.01 118.16 117.43 3gtg n LYS 1092Ca 0.00 0.44 0.10 0.00 -2.87 0.00 0.00 58.31 55.98 3gtg n LYS 1092Cb 0.00 -1.49 0.14 0.00 -1.84 0.00 0.00 35.03 31.84 3gtg n LYS 1092CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3gtg n LYS 1093N -4.18 2.05 -1.71 1.97 4.76 -1.26 -5.12 118.16 114.67 3gtg n LYS 1093Ca -0.07 -1.92 -0.38 0.00 -2.87 0.00 0.00 58.31 53.08 3gtg n LYS 1093Cb 0.24 -1.40 0.06 0.00 -1.84 0.00 0.00 35.03 32.09 3gtg n LYS 1093CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3gtg n VAL 1094N 1.14 4.38 -1.83 -0.18 0.24 -1.26 -4.89 118.33 115.93 3gtg n VAL 1094Ca 0.14 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.51 3gtg n VAL 1094Cb 0.51 -1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 3gtg n VAL 1094CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gtg s THR 1095N -1.38 3.28 0.31 3.34 -4.23 -1.26 -4.98 115.64 110.71 3gtg s THR 1095Ca 0.78 0.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 3gtg s THR 1095Cb -0.40 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.12 3gtg s THR 1095CO 0.44 -0.18 0.09 -1.54 -0.54 0.00 0.00 174.62 172.89 3gtg n SER 1096N 10.23 2.53 -0.51 3.99 3.41 -1.26 -4.63 113.62 127.38 3gtg n SER 1096Ca 0.25 -2.25 0.04 0.00 -0.26 0.00 0.00 58.87 56.65 3gtg n SER 1096Cb 0.45 0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 3gtg n SER 1096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtg n GLY 1097N 1.26 -1.89 0.32 5.00 0.00 -1.26 -4.00 105.19 104.62 3gtg n GLY 1097Ca -0.08 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.74 3gtg n GLY 1097CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtg n VAL 1098N -1.64 -0.38 -0.06 1.61 0.31 -1.26 -1.10 118.33 115.81 3gtg n VAL 1098Ca 0.00 2.03 -0.08 0.00 -0.01 0.00 0.00 64.34 66.29 3gtg n VAL 1098Cb 0.15 -2.93 -0.01 0.00 -0.91 0.00 0.00 33.84 30.14 3gtg n VAL 1098CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3gtg h PRO 1099N 0.00 -0.19 0.05 5.55 0.11 -1.98 -0.50 132.00 135.05 3gtg h PRO 1099Ca 0.53 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.67 3gtg h PRO 1099Cb 1.04 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3gtg h PRO 1099CO -0.88 -0.12 -0.54 -0.09 -0.21 0.00 0.00 178.00 176.16 3gtg h ARG 1100N -0.19 -0.69 -1.53 1.05 9.65 -1.24 -0.97 114.38 120.46 3gtg h ARG 1100Ca 0.15 0.05 0.45 0.00 -1.10 0.00 0.00 59.98 59.52 3gtg h ARG 1100Cb 0.42 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 3gtg h ARG 1100CO -0.39 -0.46 1.09 1.25 2.80 0.00 0.00 179.97 184.26 3gtg h LEU 1101N -0.71 0.05 0.00 3.80 5.85 -0.75 0.93 115.31 124.46 3gtg h LEU 1101Ca 0.00 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3gtg h LEU 1101Cb 0.74 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3gtg h LEU 1101CO -0.33 -0.02 -0.76 0.50 -0.34 0.00 0.00 178.44 177.49 3gtg h LYS 1102N 0.03 0.00 -0.09 1.25 3.64 -0.17 -2.41 116.57 118.82 3gtg h LYS 1102Ca 0.75 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.12 3gtg h LYS 1102Cb 2.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.72 3gtg h LYS 1102CO -0.06 0.50 0.00 0.93 -2.27 0.00 0.00 179.45 178.55 3gtg h GLU 1103N 0.00 0.16 -0.72 1.90 5.08 0.14 -3.12 114.58 118.02 3gtg h GLU 1103Ca -0.04 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3gtg h GLU 1103Cb 1.47 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 3gtg h GLU 1103CO 0.07 0.41 0.47 0.82 -1.00 0.00 0.00 179.01 179.78 3gtg h ILE 1104N -0.11 1.10 0.00 3.13 1.08 -1.19 -2.40 117.51 119.12 3gtg h ILE 1104Ca 0.03 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3gtg h ILE 1104Cb 0.34 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3gtg h ILE 1104CO 0.00 0.16 -0.73 0.18 -0.69 0.00 0.00 178.15 177.07 3gtg n LEU 1105N -4.46 0.64 -0.63 1.44 4.77 -0.92 -3.50 117.00 114.35 3gtg n LEU 1105Ca 0.09 0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 3gtg n LEU 1105Cb 0.14 -0.17 0.30 0.00 -2.33 0.00 0.00 43.42 41.36 3gtg n LEU 1105CO 0.35 0.00 0.70 0.59 -1.33 0.00 0.00 177.39 177.70 3gtg n ASN 1106N -1.97 2.04 -3.24 -1.43 4.13 -0.95 -0.69 115.26 113.15 3gtg n ASN 1106Ca 0.03 -1.61 -0.22 0.00 1.68 0.00 0.00 54.58 54.46 3gtg n ASN 1106Cb 0.42 0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.74 3gtg n ASN 1106CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3gtg n VAL 1107N 0.48 -7.25 -2.70 2.41 0.31 -1.04 -4.84 118.33 105.71 3gtg n VAL 1107Ca 0.15 0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 64.42 3gtg n VAL 1107Cb 0.45 -5.27 -0.02 0.00 -0.91 0.00 0.00 33.84 28.09 3gtg n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtg s ALA 1108N -2.20 3.61 0.08 3.52 0.00 -0.95 -4.93 121.76 120.88 3gtg s ALA 1108Ca 0.26 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 3gtg s ALA 1108Cb -0.04 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 3gtg s ALA 1108CO 0.83 -0.91 1.25 0.87 0.00 0.00 0.00 175.76 177.80 3gtg h LYS 1109N 7.38 0.69 -3.03 0.00 1.79 -1.92 -3.40 116.57 118.08 3gtg h LYS 1109Ca -0.23 -0.61 -0.75 0.00 -2.18 0.00 0.00 60.65 56.88 3gtg h LYS 1109Cb 1.09 0.14 -0.32 0.00 -1.58 0.00 0.00 32.23 31.56 3gtg h LYS 1109CO 0.93 1.22 0.33 0.09 -1.08 0.00 0.00 179.45 180.93 3gtg n ASN 1110N -4.01 5.37 -4.72 0.86 4.13 -1.26 -5.04 115.26 110.59 3gtg n ASN 1110Ca -0.08 -3.28 -0.41 0.00 1.68 0.00 0.00 54.58 52.48 3gtg n ASN 1110Cb 0.73 -1.16 -0.04 0.00 -1.54 0.00 0.00 39.78 37.78 3gtg n ASN 1110CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gtg s MET 1111N -2.13 4.62 0.23 3.52 0.23 -1.26 -4.96 119.30 119.55 3gtg s MET 1111Ca 0.32 1.41 -0.07 0.00 -1.03 0.00 0.00 55.69 56.31 3gtg s MET 1111Cb 0.01 -3.42 0.21 0.00 -1.53 0.00 0.00 34.83 30.09 3gtg s MET 1111CO -0.00 0.08 1.87 0.87 -2.03 0.00 0.00 175.02 175.81 3gtg h LYS 1112N 6.22 1.22 -2.86 3.16 1.57 -1.99 -3.34 116.57 120.54 3gtg h LYS 1112Ca -0.42 -0.12 -0.61 0.00 -1.87 0.00 0.00 60.65 57.63 3gtg h LYS 1112Cb 1.21 -0.25 -0.41 0.00 0.08 0.00 0.00 32.23 32.87 3gtg h LYS 1112CO 0.73 0.87 -0.71 0.99 -0.57 0.00 0.00 179.45 180.76 3gtg s THR 1113N -5.93 1.96 0.63 -0.16 2.01 -1.26 -5.02 115.64 107.87 3gtg s THR 1113Ca -0.13 -3.60 -0.14 0.00 0.31 0.00 0.00 61.69 58.13 3gtg s THR 1113Cb 0.17 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3gtg s THR 1113CO 0.82 -1.06 1.07 -2.84 -0.69 0.00 0.00 174.62 171.91 3gtg s PRO 1114N -0.80 3.12 -0.23 4.92 0.02 -1.26 -4.73 135.00 136.04 3gtg s PRO 1114Ca 0.26 1.17 -0.11 0.00 0.02 0.00 0.00 61.00 62.34 3gtg s PRO 1114Cb -0.04 -2.01 0.08 0.00 0.02 0.00 0.00 34.50 32.55 3gtg s PRO 1114CO -0.16 -0.97 0.54 0.45 -0.33 0.00 0.00 177.00 176.53 3gtg s SER 1115N -3.01 -0.71 -0.07 2.53 0.15 -1.26 -2.66 113.70 108.67 3gtg s SER 1115Ca 0.63 1.21 -0.21 0.00 0.70 0.00 0.00 55.95 58.27 3gtg s SER 1115Cb -0.16 1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 65.35 3gtg s SER 1115CO 0.42 -0.22 0.60 -0.76 1.20 0.00 0.00 173.24 174.49 3gtg s LEU 1116N 1.83 4.32 -0.16 3.45 2.01 -1.18 -2.53 118.68 126.42 3gtg s LEU 1116Ca -0.08 1.06 -0.00 0.00 0.01 0.00 0.00 54.13 55.11 3gtg s LEU 1116Cb -0.08 -2.92 -0.00 0.00 0.01 0.00 0.00 46.19 43.20 3gtg s LEU 1116CO -0.16 -0.03 -0.14 -0.89 1.01 0.00 0.00 176.35 176.14 3gtg s THR 1117N 0.54 2.78 -0.01 5.49 2.01 -0.66 -0.20 115.64 125.59 3gtg s THR 1117Ca 0.32 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.66 3gtg s THR 1117Cb -0.17 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3gtg s THR 1117CO 0.15 0.50 -0.20 0.68 -0.69 0.00 0.00 174.62 175.06 3gtg s VAL 1118N 0.88 1.62 0.05 3.82 -7.23 0.13 -2.05 120.40 117.62 3gtg s VAL 1118Ca -0.04 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3gtg s VAL 1118Cb -0.15 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3gtg s VAL 1118CO -0.01 0.43 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.90 3gtg s TYR 1119N -0.51 3.02 0.73 2.82 4.12 -1.26 -2.07 117.35 124.19 3gtg s TYR 1119Ca 0.08 0.01 -0.13 0.00 0.02 0.00 0.00 57.07 57.06 3gtg s TYR 1119Cb -0.08 -1.59 0.03 0.00 -1.52 0.00 0.00 41.96 38.80 3gtg s TYR 1119CO -0.01 0.47 1.11 -0.51 0.02 0.00 0.00 175.55 176.63 3gtg s LEU 1120N -2.00 3.19 0.15 -1.29 1.02 -1.26 -0.57 118.68 117.93 3gtg s LEU 1120Ca 0.23 1.93 -0.31 0.00 0.02 0.00 0.00 54.13 56.00 3gtg s LEU 1120Cb -0.12 -4.54 -0.10 0.00 0.02 0.00 0.00 46.19 41.46 3gtg s LEU 1120CO 0.15 -1.90 1.57 -0.70 0.02 0.00 0.00 176.35 175.49 3gtg s GLU 1121N -4.50 4.22 0.51 1.70 2.12 -1.25 -3.53 118.70 117.97 3gtg s GLU 1121Ca 0.64 2.33 0.32 0.00 0.36 0.00 0.00 54.97 58.63 3gtg s GLU 1121Cb -0.19 -3.22 1.45 0.00 0.26 0.00 0.00 34.13 32.42 3gtg s GLU 1121CO 0.49 -0.61 1.79 -1.35 -0.54 0.00 0.00 175.26 175.04 3gtg h PRO 1122N 7.01 0.09 0.00 4.30 0.11 -1.94 0.49 132.00 142.06 3gtg h PRO 1122Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gtg h PRO 1122Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gtg h PRO 1122CO 0.91 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 3gtg n GLY 1123N -1.69 -0.32 3.08 -0.55 0.00 -1.26 -4.50 105.19 99.94 3gtg n GLY 1123Ca 0.26 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3gtg n GLY 1123CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gtg s HIS 1124N -2.23 0.02 0.00 1.61 3.76 0.17 -5.12 115.29 113.50 3gtg s HIS 1124Ca 0.08 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 3gtg s HIS 1124Cb 0.04 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.69 3gtg s HIS 1124CO 0.08 -0.23 0.00 0.00 -0.85 0.00 0.00 174.74 173.74 3gtg n ALA 1125N 1.80 2.22 -0.80 -1.40 0.00 -1.26 -4.45 120.51 116.61 3gtg n ALA 1125Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.31 3gtg n ALA 1125Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 3gtg n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg n ALA 1126N -1.33 3.22 -2.47 0.00 0.00 -1.26 -3.80 120.51 114.87 3gtg n ALA 1126Ca 0.00 -1.92 -0.39 0.00 0.00 0.00 0.00 53.44 51.13 3gtg n ALA 1126Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 3gtg n ALA 1126CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gtg s ASP 1127N -1.25 6.19 0.47 0.00 -1.08 -1.26 -4.84 116.67 114.89 3gtg s ASP 1127Ca 0.46 -1.00 0.16 0.00 -0.52 0.00 0.00 52.55 51.66 3gtg s ASP 1127Cb 0.34 -2.56 1.13 0.00 -1.46 0.00 0.00 42.92 40.36 3gtg s ASP 1127CO 0.15 -1.79 2.04 0.06 0.52 0.00 0.00 175.17 176.16 3gtg h GLN 1128N 10.31 0.00 0.00 4.34 -0.00 -2.01 -1.36 115.11 126.40 3gtg h GLN 1128Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 3gtg h GLN 1128Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.50 3gtg h GLN 1128CO 1.35 0.14 -0.12 1.49 -0.00 0.00 0.00 178.83 181.69 3gtg h GLU 1129N 0.00 0.00 0.22 0.06 4.81 -2.01 -1.79 114.58 115.88 3gtg h GLU 1129Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3gtg h GLU 1129Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3gtg h GLU 1129CO 0.02 0.12 -0.11 0.37 -0.73 0.00 0.00 179.01 178.68 3gtg h GLN 1130N 0.00 -0.29 -0.99 1.92 5.75 -1.65 -3.20 115.11 116.65 3gtg h GLN 1130Ca -0.00 0.02 0.21 0.00 -0.15 0.00 0.00 58.65 58.72 3gtg h GLN 1130Cb 0.23 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.74 3gtg h GLN 1130CO 0.02 0.01 0.62 0.00 -2.65 0.00 0.00 178.83 176.82 3gtg h ALA 1131N 0.11 1.86 -0.01 3.38 0.00 -1.27 -0.55 119.26 122.79 3gtg h ALA 1131Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gtg h ALA 1131Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gtg h ALA 1131CO 0.05 -0.23 -0.03 0.87 0.00 0.00 0.00 179.25 179.91 3gtg h LYS 1132N 0.64 -0.04 -0.66 0.00 1.57 -1.46 -0.49 116.57 116.12 3gtg h LYS 1132Ca 0.56 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.49 3gtg h LYS 1132Cb 1.06 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.26 3gtg h LYS 1132CO -0.34 -0.03 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.42 3gtg h LEU 1133N -0.05 -0.36 -0.11 2.94 3.38 -1.10 -0.97 115.31 119.06 3gtg h LEU 1133Ca 0.02 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3gtg h LEU 1133Cb 0.07 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gtg h LEU 1133CO -0.04 -0.15 0.02 0.40 0.09 0.00 0.00 178.44 178.76 3gtg h ILE 1134N 0.09 1.21 -0.01 1.22 2.04 -1.22 -2.86 117.51 117.98 3gtg h ILE 1134Ca 0.34 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3gtg h ILE 1134Cb 0.57 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 3gtg h ILE 1134CO -0.59 0.19 -0.37 -0.09 0.00 0.00 0.00 178.15 177.29 3gtg h ARG 1135N -0.04 -0.50 -1.11 2.37 2.43 -0.14 -1.47 114.38 115.91 3gtg h ARG 1135Ca 0.03 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3gtg h ARG 1135Cb 0.27 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3gtg h ARG 1135CO 0.00 -0.34 0.16 -1.13 -1.51 0.00 0.00 179.97 177.16 3gtg n SER 1136N -5.43 3.58 0.00 -3.80 3.41 -0.46 -1.57 113.62 109.34 3gtg n SER 1136Ca -0.05 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3gtg n SER 1136Cb 0.35 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3gtg n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtg n ALA 1137N 0.23 0.73 -0.08 7.33 0.00 -0.64 -4.86 120.51 123.22 3gtg n ALA 1137Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3gtg n ALA 1137Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.14 3gtg n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtg n ILE 1138N -0.03 1.25 -1.69 0.00 2.08 -0.66 -3.99 119.36 116.32 3gtg n ILE 1138Ca 0.00 -0.08 -0.51 0.00 0.56 0.00 0.00 62.75 62.73 3gtg n ILE 1138Cb 0.16 -1.93 -0.05 0.00 -0.75 0.00 0.00 39.64 37.06 3gtg n ILE 1138CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3gtg n GLU 1139N -4.04 1.92 -1.94 0.38 2.13 -0.61 -2.35 120.64 116.13 3gtg n GLU 1139Ca -0.28 0.70 -0.41 0.00 0.66 0.00 0.00 57.16 57.84 3gtg n GLU 1139Cb 0.61 -2.51 -0.01 0.00 0.27 0.00 0.00 31.44 29.80 3gtg n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3gtg s HIS 1140N 4.01 2.84 -0.30 4.31 5.65 -0.60 -4.41 115.29 126.79 3gtg s HIS 1140Ca 0.94 1.17 -0.01 0.00 0.25 0.00 0.00 55.06 57.41 3gtg s HIS 1140Cb -0.79 -3.88 0.13 0.00 -1.18 0.00 0.00 32.58 26.86 3gtg s HIS 1140CO 0.55 -2.64 0.24 0.99 -0.65 0.00 0.00 174.74 173.24 3gtg s THR 1141N -0.77 -0.25 0.38 0.89 2.01 -1.24 -4.90 115.64 111.77 3gtg s THR 1141Ca 0.54 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 3gtg s THR 1141Cb -0.44 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.01 3gtg s THR 1141CO 0.54 -0.60 0.96 0.42 -0.69 0.00 0.00 174.62 175.25 3gtg s THR 1142N 2.11 4.24 0.42 -0.82 -4.23 -1.26 -2.54 115.64 113.55 3gtg s THR 1142Ca 0.11 1.63 0.15 0.00 -1.18 0.00 0.00 61.69 62.39 3gtg s THR 1142Cb -0.15 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.24 3gtg s THR 1142CO -0.29 -0.08 1.92 0.25 -0.54 0.00 0.00 174.62 175.88 3gtg h LEU 1143N 2.54 0.42 -1.68 4.79 5.85 -1.74 0.41 115.31 125.90 3gtg h LEU 1143Ca -0.48 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.46 3gtg h LEU 1143Cb 1.19 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3gtg h LEU 1143CO 0.63 0.22 0.56 0.50 -0.34 0.00 0.00 178.44 180.01 3gtg h LYS 1144N 0.44 0.27 0.00 1.25 3.64 -1.85 -1.43 116.57 118.89 3gtg h LYS 1144Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3gtg h LYS 1144Cb 0.81 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3gtg h LYS 1144CO -0.12 0.18 0.00 -1.13 -2.27 0.00 0.00 179.45 176.11 3gtg n SER 1145N -4.44 0.00 -0.54 4.20 3.41 0.14 -3.26 113.62 113.12 3gtg n SER 1145Ca 0.17 -0.46 0.05 0.00 -0.26 0.00 0.00 58.87 58.37 3gtg n SER 1145Cb 0.71 -0.15 0.09 0.00 -0.26 0.00 0.00 64.21 64.59 3gtg n SER 1145CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3gtg n VAL 1146N -1.15 1.02 -3.79 -3.33 0.24 -0.54 -4.98 118.33 105.79 3gtg n VAL 1146Ca 0.16 -1.50 -0.36 0.00 -2.04 0.00 0.00 64.34 60.60 3gtg n VAL 1146Cb 0.16 0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.61 3gtg n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gtg s THR 1147N -1.54 3.98 -0.01 3.34 2.01 -1.20 -3.25 115.64 118.97 3gtg s THR 1147Ca 0.23 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 3gtg s THR 1147Cb 0.23 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3gtg s THR 1147CO -0.03 0.30 0.61 0.40 -0.69 0.00 0.00 174.62 175.20 3gtg h ILE 1148N 5.67 0.00 -2.48 1.82 1.08 -1.65 -3.47 117.51 118.48 3gtg h ILE 1148Ca -0.37 -0.29 -0.24 0.00 -0.39 0.00 0.00 64.86 63.57 3gtg h ILE 1148Cb 1.16 0.00 -0.33 0.00 -3.07 0.00 0.00 36.82 34.58 3gtg h ILE 1148CO 0.59 0.00 -0.55 0.00 -0.69 0.00 0.00 178.15 177.50 3gtg s ALA 1149N -3.62 -0.58 -0.43 1.87 0.00 -1.24 -5.01 121.76 112.75 3gtg s ALA 1149Ca -0.05 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3gtg s ALA 1149Cb 0.01 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.83 3gtg s ALA 1149CO 0.15 -1.03 0.67 -1.54 0.00 0.00 0.00 175.76 174.01 3gtg s SER 1150N 2.42 6.36 0.04 0.00 1.04 -1.26 -2.90 113.70 119.40 3gtg s SER 1150Ca 0.06 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.35 3gtg s SER 1150Cb -0.14 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 3gtg s SER 1150CO -0.12 -0.78 -0.18 -1.83 0.98 0.00 0.00 173.24 171.31 3gtg s GLU 1151N 2.91 1.22 -0.01 4.02 -1.05 -1.17 -4.99 118.70 119.63 3gtg s GLU 1151Ca 0.25 -0.87 -0.00 0.00 -0.15 0.00 0.00 54.97 54.19 3gtg s GLU 1151Cb -0.14 -1.30 -0.04 0.00 -0.44 0.00 0.00 34.13 32.22 3gtg s GLU 1151CO 0.19 0.33 0.06 0.42 0.95 0.00 0.00 175.26 177.21 3gtg s ILE 1152N -0.81 4.63 0.05 1.83 1.01 -1.26 0.33 121.20 126.98 3gtg s ILE 1152Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3gtg s ILE 1152Cb -0.08 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3gtg s ILE 1152CO 0.02 0.38 -0.06 -0.31 0.00 0.00 0.00 174.94 174.97 3gtg s TYR 1153N -1.15 0.61 -0.70 3.97 1.51 -1.26 -4.97 117.35 115.35 3gtg s TYR 1153Ca 0.21 -0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 3gtg s TYR 1153Cb -0.12 -0.38 0.12 0.00 -0.11 0.00 0.00 41.96 41.47 3gtg s TYR 1153CO 0.12 -0.17 0.84 -0.47 -1.11 0.00 0.00 175.55 174.77 3gtg s TYR 1154N -2.30 3.06 -0.26 2.71 5.04 -1.26 -1.56 117.35 122.79 3gtg s TYR 1154Ca -0.04 -1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 53.47 3gtg s TYR 1154Cb -0.04 -4.10 0.03 0.00 0.35 0.00 0.00 41.96 38.21 3gtg s TYR 1154CO -0.03 -1.36 -0.06 0.34 -1.34 0.00 0.00 175.55 173.11 3gtg s ASP 1155N 3.47 4.38 -0.18 4.32 2.15 -1.25 -4.97 116.67 124.59 3gtg s ASP 1155Ca 0.18 -0.95 -0.14 0.00 0.43 0.00 0.00 52.55 52.08 3gtg s ASP 1155Cb -0.17 -1.66 -0.22 0.00 -0.30 0.00 0.00 42.92 40.57 3gtg s ASP 1155CO 0.02 -0.15 0.21 -0.81 -0.17 0.00 0.00 175.17 174.27 3gtg n PRO 1156N 4.65 0.65 -2.92 4.34 -0.04 -1.26 -4.51 135.00 135.91 3gtg n PRO 1156Ca -0.16 0.40 -0.44 0.00 -0.04 0.00 0.00 63.50 63.26 3gtg n PRO 1156Cb 0.46 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3gtg n PRO 1156CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gtg s ASP 1157N -6.97 6.41 0.56 3.54 -1.08 -1.26 -4.90 116.67 112.97 3gtg s ASP 1157Ca -0.27 -1.59 0.29 0.00 -0.52 0.00 0.00 52.55 50.46 3gtg s ASP 1157Cb 0.07 -2.40 1.69 0.00 -1.46 0.00 0.00 42.92 40.82 3gtg s ASP 1157CO 0.66 -1.21 2.19 -0.65 0.52 0.00 0.00 175.17 176.68 3gtg h PRO 1158N 9.15 0.00 -0.01 4.34 0.11 -1.93 -1.49 132.00 142.17 3gtg h PRO 1158Ca -0.05 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 3gtg h PRO 1158Cb 1.05 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.17 3gtg h PRO 1158CO 1.14 0.05 -0.78 0.00 -0.21 0.00 0.00 178.00 178.19 3gtg h ARG 1159N 0.00 0.55 -4.13 1.05 2.47 -1.96 -3.41 114.38 108.94 3gtg h ARG 1159Ca -0.00 -0.58 -0.68 0.00 -1.26 0.00 0.00 59.98 57.46 3gtg h ARG 1159Cb 0.12 0.16 -0.37 0.00 -1.65 0.00 0.00 29.97 28.24 3gtg h ARG 1159CO 0.01 1.20 -0.54 -1.12 0.56 0.00 0.00 179.97 180.08 3gtg s SER 1160N -6.98 5.04 0.27 7.04 0.01 -0.56 -4.88 113.70 113.65 3gtg s SER 1160Ca -0.12 -2.41 -0.29 0.00 1.31 0.00 0.00 55.95 54.44 3gtg s SER 1160Cb 0.05 -1.78 -0.10 0.00 0.21 0.00 0.00 66.02 64.41 3gtg s SER 1160CO 0.87 -0.43 1.25 -0.89 0.41 0.00 0.00 173.24 174.45 3gtg s THR 1161N 0.58 3.11 0.28 1.44 2.01 -1.24 -4.52 115.64 117.29 3gtg s THR 1161Ca 0.12 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.18 3gtg s THR 1161Cb -0.22 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.70 3gtg s THR 1161CO -0.04 0.22 1.73 0.58 -0.69 0.00 0.00 174.62 176.41 3gtg h VAL 1162N 3.30 1.26 -3.32 3.82 2.07 -1.93 -3.43 116.25 118.02 3gtg h VAL 1162Ca -0.47 -1.23 -0.53 0.00 0.82 0.00 0.00 66.70 65.29 3gtg h VAL 1162Cb 1.22 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3gtg h VAL 1162CO 0.70 0.39 0.52 -0.63 0.02 0.00 0.00 177.57 178.57 3gtg s ILE 1163N -4.53 4.04 -2.10 4.57 1.01 -1.26 -4.96 121.20 117.97 3gtg s ILE 1163Ca -0.07 1.54 0.26 0.00 0.00 0.00 0.00 60.65 62.39 3gtg s ILE 1163Cb 0.14 -3.99 0.34 0.00 0.01 0.00 0.00 42.46 38.96 3gtg s ILE 1163CO 0.79 0.16 1.57 -0.81 0.00 0.00 0.00 174.94 176.65 3gtg n PRO 1164N 3.47 1.23 0.12 2.79 -0.04 -1.26 -3.77 135.00 137.53 3gtg n PRO 1164Ca 0.07 -0.77 -0.03 0.00 -0.04 0.00 0.00 63.50 62.73 3gtg n PRO 1164Cb 0.47 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 3gtg n PRO 1164CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gtg h GLU 1165N 1.88 0.06 -3.71 0.54 5.08 -1.97 -3.34 114.58 113.12 3gtg h GLU 1165Ca 0.00 -0.05 -0.78 0.00 -1.00 0.00 0.00 59.36 57.53 3gtg h GLU 1165Cb 0.55 0.01 -0.28 0.00 0.50 0.00 0.00 28.75 29.53 3gtg h GLU 1165CO 0.00 0.69 0.12 -0.51 -1.00 0.00 0.00 179.01 178.31 3gtg s ASP 1166N -6.86 6.68 -0.01 1.42 1.01 -1.25 -4.79 116.67 112.88 3gtg s ASP 1166Ca -0.02 -2.98 0.17 0.00 0.71 0.00 0.00 52.55 50.43 3gtg s ASP 1166Cb 0.12 -2.15 -0.22 0.00 1.01 0.00 0.00 42.92 41.68 3gtg s ASP 1166CO 0.78 -0.46 0.56 1.21 0.21 0.00 0.00 175.17 177.47 3gtg n GLU 1167N 3.53 1.03 -3.34 8.23 2.13 -1.25 -4.74 120.64 126.24 3gtg n GLU 1167Ca 0.16 -0.07 -0.26 0.00 0.66 0.00 0.00 57.16 57.65 3gtg n GLU 1167Cb 0.44 -1.35 -0.08 0.00 0.27 0.00 0.00 31.44 30.72 3gtg n GLU 1167CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3gtg n GLU 1168N -1.72 0.96 0.02 5.31 2.13 -1.26 -4.37 120.64 121.72 3gtg n GLU 1168Ca 0.00 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.28 3gtg n GLU 1168Cb 0.35 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.47 3gtg n GLU 1168CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3gtg n ILE 1169N 1.73 0.09 0.00 6.31 -0.00 -1.26 -4.50 119.36 121.72 3gtg n ILE 1169Ca 0.25 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 63.03 3gtg n ILE 1169Cb 0.48 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.29 3gtg n ILE 1169CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3gtg n ILE 1170N -2.84 0.00 0.00 1.39 -0.00 -1.26 -3.01 119.36 113.64 3gtg n ILE 1170Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3gtg n ILE 1170Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 3gtg n ILE 1170CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 3gtg n GLN 1171N -1.84 2.94 0.00 0.38 0.00 -1.26 -4.87 117.38 112.72 3gtg n GLN 1171Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3gtg n GLN 1171Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 30.24 29.82 3gtg n GLN 1171CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3gtg n LEU 1172N -0.21 0.00 -3.56 1.69 7.94 -1.16 -4.96 117.00 116.74 3gtg n LEU 1172Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3gtg n LEU 1172Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3gtg n LEU 1172CO 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.04 3gtg n HIS 1173N 0.00 -2.54 -2.72 1.96 1.44 -1.17 -4.85 115.22 107.34 3gtg n HIS 1173Ca 0.00 1.06 -0.42 0.00 -2.01 0.00 0.00 57.72 56.34 3gtg n HIS 1173Cb 0.00 -2.22 -0.03 0.00 0.12 0.00 0.00 29.99 27.86 3gtg n HIS 1173CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3gtg s PHE 1174N -2.01 2.78 0.61 -1.40 0.08 -1.26 -4.98 117.98 111.81 3gtg s PHE 1174Ca 0.26 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 56.28 3gtg s PHE 1174Cb -0.03 -4.52 0.09 0.00 -0.57 0.00 0.00 43.02 37.99 3gtg s PHE 1174CO 0.88 -1.75 0.84 0.45 -0.10 0.00 0.00 175.22 175.54 3gtg s SER 1175N 4.40 4.91 0.00 1.36 0.15 -1.26 -4.86 113.70 118.40 3gtg s SER 1175Ca 0.40 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3gtg s SER 1175Cb -0.02 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3gtg s SER 1175CO -0.10 -1.45 0.00 0.18 1.20 0.00 0.00 173.24 173.07 3gtg n LEU 1176N -2.41 -0.93 -0.09 3.45 4.32 -1.26 -5.05 117.00 115.03 3gtg n LEU 1176Ca 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.02 3gtg n LEU 1176Cb 0.61 -0.39 -0.08 0.00 -1.62 0.00 0.00 43.42 41.93 3gtg n LEU 1176CO 0.41 0.00 -1.07 -0.11 -1.22 0.00 0.00 177.39 175.40 3gtg n LEU 1177N -0.07 2.69 -0.11 2.23 7.94 -1.26 -4.74 117.00 123.68 3gtg n LEU 1177Ca 0.00 -0.09 0.01 0.00 -1.11 0.00 0.00 56.01 54.83 3gtg n LEU 1177Cb 0.39 -0.52 -0.01 0.00 0.53 0.00 0.00 43.42 43.81 3gtg n LEU 1177CO 0.00 0.75 -0.05 -0.67 -1.11 0.00 0.00 177.39 176.32 3gtg n ASP 1178N -2.97 -0.61 -1.31 1.96 2.03 -1.26 -5.34 116.55 109.05 3gtg n ASP 1178Ca -0.30 0.11 0.16 0.00 0.52 0.00 0.00 54.79 55.28 3gtg n ASP 1178Cb 0.84 -0.38 -0.05 0.00 -0.72 0.00 0.00 41.12 40.81 3gtg n ASP 1178CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gtg n GLU 1179N -2.26 -2.68 0.14 -0.67 -0.58 -1.26 -5.15 120.64 108.19 3gtg n GLU 1179Ca -0.01 1.94 0.00 0.00 -0.42 0.00 0.00 57.16 58.67 3gtg n GLU 1179Cb 0.05 -3.27 0.00 0.00 -0.57 0.00 0.00 31.44 27.66 3gtg n GLU 1179CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3gtg n GLN 1187N -3.94 0.00 0.00 3.49 -0.06 -1.26 -5.05 117.38 110.57 3gtg n GLN 1187Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 3gtg n GLN 1187Cb 0.66 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.84 3gtg n GLN 1187CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 3gtg n GLN 1188N -3.14 0.00 -3.65 3.69 7.27 -1.26 -5.11 117.38 115.19 3gtg n GLN 1188Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3gtg n GLN 1188Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 3gtg n GLN 1188CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3gtg s SER 1189N 1.88 -0.39 -0.07 1.69 0.15 -1.26 -4.69 113.70 111.01 3gtg s SER 1189Ca 0.00 0.64 -0.15 0.00 0.70 0.00 0.00 55.95 57.14 3gtg s SER 1189Cb 0.00 1.08 -0.11 0.00 -1.71 0.00 0.00 66.02 65.28 3gtg s SER 1189CO 0.00 -0.10 0.60 1.55 1.20 0.00 0.00 173.24 176.48 3gtg h PRO 1190N 5.53 -0.24 -6.07 5.44 0.13 -1.85 -3.46 132.00 131.48 3gtg h PRO 1190Ca -0.28 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 3gtg h PRO 1190Cb 1.18 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 3gtg h PRO 1190CO 0.19 0.07 0.21 -1.58 -0.23 0.00 0.00 178.00 176.66 3gtg s TRP 1191N -2.87 3.55 0.00 1.56 0.52 -1.26 -3.95 118.94 116.49 3gtg s TRP 1191Ca -0.09 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.35 3gtg s TRP 1191Cb 0.00 -2.91 0.00 0.00 -1.15 0.00 0.00 33.47 29.41 3gtg s TRP 1191CO 0.32 -0.01 0.00 -0.11 0.02 0.00 0.00 176.95 177.16 3gtg n LEU 1192N 4.17 0.00 -3.64 2.99 7.94 -0.60 -4.28 117.00 123.58 3gtg n LEU 1192Ca 0.01 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.92 3gtg n LEU 1192Cb 0.51 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 3gtg n LEU 1192CO 0.48 -0.72 0.88 -0.22 -1.11 0.00 0.00 177.39 176.71 3gtg s LEU 1193N 0.00 -0.22 0.35 -1.96 2.96 -0.94 -4.43 118.68 114.43 3gtg s LEU 1193Ca 0.00 0.36 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 3gtg s LEU 1193Cb 0.00 1.33 -0.06 0.00 0.50 0.00 0.00 46.19 47.96 3gtg s LEU 1193CO 0.00 -0.06 0.00 -0.60 -1.32 0.00 0.00 176.35 174.38 3gtg s ARG 1194N 1.17 2.03 -0.27 1.98 3.52 0.15 -1.68 118.95 125.85 3gtg s ARG 1194Ca -0.08 -1.81 -0.01 0.00 -0.13 0.00 0.00 55.73 53.69 3gtg s ARG 1194Cb -0.03 -1.88 0.16 0.00 -1.56 0.00 0.00 34.95 31.64 3gtg s ARG 1194CO -0.12 0.11 0.46 -0.51 -0.81 0.00 0.00 175.30 174.43 3gtg s LEU 1195N -3.71 -0.93 0.27 -0.88 1.43 -1.01 -3.06 118.68 110.80 3gtg s LEU 1195Ca 0.35 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.56 3gtg s LEU 1195Cb 0.01 1.48 -0.09 0.00 0.03 0.00 0.00 46.19 47.62 3gtg s LEU 1195CO 0.19 -0.29 0.87 -0.70 0.23 0.00 0.00 176.35 176.65 3gtg s GLU 1196N 2.65 4.53 0.05 1.70 2.12 -1.14 -1.77 118.70 126.84 3gtg s GLU 1196Ca 0.15 1.21 0.07 0.00 0.36 0.00 0.00 54.97 56.76 3gtg s GLU 1196Cb -0.15 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3gtg s GLU 1196CO -0.19 0.37 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.19 3gtg s LEU 1197N -1.84 2.19 0.13 2.70 1.43 -0.69 -1.72 118.68 120.88 3gtg s LEU 1197Ca 0.46 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 3gtg s LEU 1197Cb -0.19 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.10 3gtg s LEU 1197CO 0.24 0.11 1.13 1.51 0.23 0.00 0.00 176.35 179.57 3gtg s ASP 1198N -1.28 7.20 0.51 2.29 -4.77 -1.20 -4.43 116.67 115.00 3gtg s ASP 1198Ca 0.06 2.05 0.28 0.00 -3.30 0.00 0.00 52.55 51.64 3gtg s ASP 1198Cb -0.09 -2.59 1.38 0.00 -1.09 0.00 0.00 42.92 40.53 3gtg s ASP 1198CO 0.02 -0.31 2.03 -0.09 0.70 0.00 0.00 175.17 177.52 3gtg h ARG 1199N 5.71 0.00 0.00 2.11 9.65 -1.95 -3.34 114.38 126.57 3gtg h ARG 1199Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3gtg h ARG 1199Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3gtg h ARG 1199CO 0.75 0.13 0.00 0.00 2.80 0.00 0.00 179.97 183.65 3gtg n ALA 1200N -2.24 -0.45 1.82 2.80 0.00 -1.26 -3.65 120.51 117.53 3gtg n ALA 1200Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 3gtg n ALA 1200Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 3gtg n ALA 1200CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtg n ALA 1201N -1.90 2.50 0.09 0.00 0.00 -1.26 -1.68 120.51 118.26 3gtg n ALA 1201Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 3gtg n ALA 1201Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3gtg n ALA 1201CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3gtg h MET 1202N 0.20 0.00 -0.10 0.00 2.07 -1.68 -3.25 114.93 112.17 3gtg h MET 1202Ca 0.00 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.45 3gtg h MET 1202Cb 0.08 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3gtg h MET 1202CO 0.00 0.85 -0.63 -0.91 1.07 0.00 0.00 176.91 177.29 3gtg h ASN 1203N 0.00 0.73 0.43 1.22 4.21 -1.44 -3.33 115.58 117.39 3gtg h ASN 1203Ca -0.01 -0.66 -0.02 0.00 1.21 0.00 0.00 56.30 56.82 3gtg h ASN 1203Cb 1.61 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 3gtg h ASN 1203CO 0.11 1.27 -0.21 0.44 -1.29 0.00 0.00 177.43 177.76 3gtg h ASP 1204N 0.24 -0.49 -3.46 5.81 5.19 -1.69 -3.41 116.42 118.60 3gtg h ASP 1204Ca -0.05 0.02 -0.54 0.00 -0.62 0.00 0.00 57.03 55.84 3gtg h ASP 1204Cb 1.28 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.89 3gtg h ASP 1204CO 0.13 -0.22 0.21 -0.54 -3.12 0.00 0.00 179.24 175.70 3gtg s LYS 1205N -3.63 4.55 -0.38 3.56 1.02 -1.23 -5.01 119.74 118.62 3gtg s LYS 1205Ca -0.08 1.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.84 3gtg s LYS 1205Cb 0.01 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3gtg s LYS 1205CO 0.25 0.27 0.75 -0.51 -0.92 0.00 0.00 175.35 175.20 3gtg s ASP 1206N -0.07 6.50 -0.16 2.83 1.01 -1.26 -4.46 116.67 121.06 3gtg s ASP 1206Ca 0.41 0.22 -0.07 0.00 0.71 0.00 0.00 52.55 53.82 3gtg s ASP 1206Cb -0.21 -2.38 0.07 0.00 1.01 0.00 0.00 42.92 41.41 3gtg s ASP 1206CO 0.25 -0.74 0.37 -0.76 0.21 0.00 0.00 175.17 174.49 3gtg s LEU 1207N 3.05 -0.25 0.20 1.23 1.43 -1.25 -5.13 118.68 117.97 3gtg s LEU 1207Ca 0.30 0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 3gtg s LEU 1207Cb -0.13 1.15 -0.08 0.00 0.03 0.00 0.00 46.19 47.16 3gtg s LEU 1207CO 0.18 -0.21 0.77 0.42 0.23 0.00 0.00 176.35 177.73 3gtg s THR 1208N 1.96 4.44 0.49 5.49 -4.23 -1.26 -4.95 115.64 117.59 3gtg s THR 1208Ca -0.05 1.53 0.30 0.00 -1.18 0.00 0.00 61.69 62.29 3gtg s THR 1208Cb -0.10 -4.00 0.49 0.00 1.34 0.00 0.00 72.50 70.22 3gtg s THR 1208CO -0.11 0.35 1.80 0.24 -0.54 0.00 0.00 174.62 176.36 3gtg h MET 1209N 3.83 0.13 0.42 3.99 0.00 -1.98 -2.47 114.93 118.85 3gtg h MET 1209Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 59.70 59.20 3gtg h MET 1209Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 31.60 32.77 3gtg h MET 1209CO 0.65 0.09 -0.20 0.78 0.00 0.00 0.00 176.91 178.23 3gtg h GLY 1210N 0.13 -0.59 -0.46 8.32 0.00 -1.93 -1.95 103.07 106.60 3gtg h GLY 1210Ca 0.56 0.22 0.29 0.00 0.00 0.00 0.00 47.33 48.40 3gtg h GLY 1210CO -0.11 -0.21 0.50 -1.61 0.00 0.00 0.00 176.54 175.11 3gtg h GLN 1211N -0.73 0.32 0.89 4.80 4.15 -1.85 0.26 115.11 122.95 3gtg h GLN 1211Ca -0.06 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3gtg h GLN 1211Cb 0.52 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3gtg h GLN 1211CO 0.09 0.21 -0.48 0.28 -1.93 0.00 0.00 178.83 177.01 3gtg h VAL 1212N 0.33 0.03 -0.57 2.39 2.07 -1.51 -2.65 116.25 116.35 3gtg h VAL 1212Ca 0.69 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.32 3gtg h VAL 1212Cb 1.50 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 3gtg h VAL 1212CO -0.60 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.24 3gtg h GLY 1213N -1.26 0.61 1.04 2.17 0.00 0.16 -1.98 103.07 103.82 3gtg h GLY 1213Ca -0.12 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3gtg h GLY 1213CO 0.17 -0.16 0.15 -2.09 0.00 0.00 0.00 176.54 174.61 3gtg h GLU 1214N 0.14 1.05 -0.24 4.80 4.57 -0.82 -2.00 114.58 122.08 3gtg h GLU 1214Ca 0.29 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3gtg h GLU 1214Cb 0.46 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3gtg h GLU 1214CO -0.47 0.95 -0.16 -0.09 -1.18 0.00 0.00 179.01 178.06 3gtg h ARG 1215N 0.98 0.42 0.32 1.92 9.65 -1.04 0.24 114.38 126.87 3gtg h ARG 1215Ca 0.20 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3gtg h ARG 1215Cb 0.37 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3gtg h ARG 1215CO 0.00 0.57 -0.19 0.82 2.80 0.00 0.00 179.97 183.98 3gtg h ILE 1216N 0.39 0.61 -0.48 1.20 2.04 -0.89 -3.07 117.51 117.31 3gtg h ILE 1216Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3gtg h ILE 1216Cb 0.51 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3gtg h ILE 1216CO 0.03 0.00 0.21 0.50 0.00 0.00 0.00 178.15 178.89 3gtg h LYS 1217N -0.48 0.70 -0.27 2.37 3.64 -0.97 -2.68 116.57 118.88 3gtg h LYS 1217Ca -0.03 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3gtg h LYS 1217Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3gtg h LYS 1217CO 0.04 0.61 0.54 1.96 -2.27 0.00 0.00 179.45 180.33 3gtg h GLN 1218N 0.63 0.00 0.10 1.90 4.20 -0.45 -1.23 115.11 120.26 3gtg h GLN 1218Ca 0.16 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 3gtg h GLN 1218Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3gtg h GLN 1218CO -0.02 0.00 -1.15 1.15 -0.67 0.00 0.00 178.83 178.14 3gtg h THR 1219N 0.00 1.19 0.02 -0.54 2.02 -1.39 -3.37 112.91 110.83 3gtg h THR 1219Ca 0.13 -2.40 -0.27 0.00 0.77 0.00 0.00 66.41 64.63 3gtg h THR 1219Cb 1.21 2.83 -0.04 0.00 -1.74 0.00 0.00 68.15 70.41 3gtg h THR 1219CO -0.00 0.66 -1.51 -0.26 0.37 0.00 0.00 175.52 174.78 3gtg h PHE 1220N -0.44 0.06 0.00 3.16 -1.00 -1.55 -3.51 116.94 113.66 3gtg h PHE 1220Ca -0.25 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.49 3gtg h PHE 1220Cb 1.63 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.19 3gtg h PHE 1220CO 0.15 1.06 0.00 1.63 -1.61 0.00 0.00 178.31 179.55 3gtg n LYS 1221N -3.18 0.00 -0.25 1.51 5.02 -0.50 -4.31 118.16 116.45 3gtg n LYS 1221Ca -0.13 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.18 3gtg n LYS 1221Cb 1.02 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 36.14 3gtg n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtg n ASN 1222N 2.75 2.34 -1.96 4.39 5.03 -1.26 -4.17 115.26 122.37 3gtg n ASN 1222Ca 0.00 -2.26 -0.24 0.00 0.87 0.00 0.00 54.58 52.95 3gtg n ASN 1222Cb 0.00 -0.55 0.09 0.00 -1.02 0.00 0.00 39.78 38.29 3gtg n ASN 1222CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3gtg n ASP 1223N 0.17 5.31 -3.55 6.41 5.68 -1.26 -4.86 116.55 124.44 3gtg n ASP 1223Ca 0.08 -3.77 -0.00 0.00 -0.50 0.00 0.00 54.79 50.60 3gtg n ASP 1223Cb 0.52 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 3gtg n ASP 1223CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3gtg s LEU 1224N -3.59 -0.47 0.65 -2.12 0.20 -1.26 -3.29 118.68 108.79 3gtg s LEU 1224Ca 0.55 0.71 -0.13 0.00 0.69 0.00 0.00 54.13 55.95 3gtg s LEU 1224Cb 0.45 1.63 -0.01 0.00 -0.43 0.00 0.00 46.19 47.83 3gtg s LEU 1224CO 0.02 -0.11 1.06 0.12 -0.29 0.00 0.00 176.35 177.15 3gtg s PHE 1225N 1.68 3.05 -0.19 5.38 5.36 -1.12 -4.94 117.98 127.22 3gtg s PHE 1225Ca -0.07 1.46 -0.12 0.00 -0.96 0.00 0.00 56.93 57.25 3gtg s PHE 1225Cb -0.04 -2.94 0.06 0.00 -0.34 0.00 0.00 43.02 39.76 3gtg s PHE 1225CO -0.15 -1.17 0.47 0.08 -1.46 0.00 0.00 175.22 172.98 3gtg s VAL 1226N -2.78 -0.02 0.26 3.12 1.01 -1.26 -3.72 120.40 117.01 3gtg s VAL 1226Ca 0.60 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.67 3gtg s VAL 1226Cb -0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3gtg s VAL 1226CO 0.47 0.02 0.18 -0.63 0.00 0.00 0.00 175.10 175.14 3gtg s ILE 1227N 1.21 0.05 -0.15 2.22 1.01 -0.98 -5.00 121.20 119.56 3gtg s ILE 1227Ca -0.08 -2.00 -0.31 0.00 0.00 0.00 0.00 60.65 58.26 3gtg s ILE 1227Cb -0.07 -2.50 0.13 0.00 0.01 0.00 0.00 42.46 40.03 3gtg s ILE 1227CO -0.11 0.00 1.08 -1.66 0.00 0.00 0.00 174.94 174.25 3gtg s TRP 1228N -3.85 -0.25 0.63 3.97 -2.14 -1.26 -3.02 118.94 113.02 3gtg s TRP 1228Ca 0.39 0.29 -0.02 0.00 2.66 0.00 0.00 56.10 59.42 3gtg s TRP 1228Cb 0.05 0.50 0.05 0.00 -3.10 0.00 0.00 33.47 30.97 3gtg s TRP 1228CO 0.18 -0.31 0.89 -1.12 -2.66 0.00 0.00 176.95 173.93 3gtg s SER 1229N -1.74 5.01 0.39 -2.66 0.01 -1.17 -5.02 113.70 108.52 3gtg s SER 1229Ca 0.05 0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 3gtg s SER 1229Cb -0.01 -0.89 -0.07 0.00 0.21 0.00 0.00 66.02 65.27 3gtg s SER 1229CO -0.04 -1.39 0.77 -0.70 0.41 0.00 0.00 173.24 172.30 3gtg s GLU 1230N -4.98 3.83 0.40 12.44 2.12 -1.26 -4.81 118.70 126.42 3gtg s GLU 1230Ca 0.59 0.53 0.11 0.00 0.36 0.00 0.00 54.97 56.56 3gtg s GLU 1230Cb -0.10 -2.39 0.92 0.00 0.26 0.00 0.00 34.13 32.82 3gtg s GLU 1230CO 0.41 -0.01 1.93 -0.44 -0.54 0.00 0.00 175.26 176.61 3gtg h ASP 1231N 1.42 0.51 -0.60 -1.70 3.45 -1.98 -2.27 116.42 115.25 3gtg h ASP 1231Ca -0.47 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.01 3gtg h ASP 1231Cb 1.18 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 3gtg h ASP 1231CO 0.64 0.29 0.40 0.78 -1.57 0.00 0.00 179.24 179.78 3gtg h ASN 1232N 0.56 0.69 -3.10 6.45 4.21 -2.01 -3.45 115.58 118.94 3gtg h ASN 1232Ca 0.36 -0.02 -0.42 0.00 1.21 0.00 0.00 56.30 57.44 3gtg h ASN 1232Cb 0.64 -0.17 0.22 0.00 -1.12 0.00 0.00 38.32 37.88 3gtg h ASN 1232CO -0.13 0.50 -0.05 -1.81 -1.29 0.00 0.00 177.43 174.65 3gtg s ASP 1233N -6.50 0.16 -0.05 5.81 1.01 -0.86 -4.99 116.67 111.25 3gtg s ASP 1233Ca -0.10 1.36 0.02 0.00 0.71 0.00 0.00 52.55 54.54 3gtg s ASP 1233Cb 0.18 -2.07 -0.25 0.00 1.01 0.00 0.00 42.92 41.78 3gtg s ASP 1233CO 0.76 -4.68 0.63 -0.08 0.21 0.00 0.00 175.17 172.01 3gtg h GLU 1234N -2.95 0.15 -4.96 8.23 4.81 -1.86 -3.45 114.58 114.54 3gtg h GLU 1234Ca -0.59 -0.25 -0.67 0.00 -0.13 0.00 0.00 59.36 57.72 3gtg h GLU 1234Cb 1.34 0.09 -0.30 0.00 0.63 0.00 0.00 28.75 30.51 3gtg h GLU 1234CO 0.45 0.90 -0.75 0.21 -0.73 0.00 0.00 179.01 179.09 3gtg s LYS 1235N -2.59 3.08 -0.22 1.92 2.47 -1.26 -4.99 119.74 118.15 3gtg s LYS 1235Ca -0.11 -0.81 -0.16 0.00 -1.56 0.00 0.00 55.97 53.32 3gtg s LYS 1235Cb 0.07 -2.96 -0.04 0.00 -1.46 0.00 0.00 37.83 33.45 3gtg s LYS 1235CO 0.81 -0.30 0.41 -0.51 0.16 0.00 0.00 175.35 175.93 3gtg s LEU 1236N 1.39 4.12 -0.01 5.43 1.43 -1.26 -4.84 118.68 124.94 3gtg s LEU 1236Ca 0.03 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 3gtg s LEU 1236Cb -0.15 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3gtg s LEU 1236CO -0.05 -0.12 0.29 -0.63 0.23 0.00 0.00 176.35 176.07 3gtg s ILE 1237N 1.57 0.06 0.16 -0.59 1.01 -1.26 -1.71 121.20 120.44 3gtg s ILE 1237Ca 0.19 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.42 3gtg s ILE 1237Cb -0.15 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3gtg s ILE 1237CO 0.08 -0.28 -0.23 -0.63 0.00 0.00 0.00 174.94 173.88 3gtg s ILE 1238N -1.44 2.15 -0.08 2.92 -1.09 -0.73 -3.03 121.20 119.90 3gtg s ILE 1238Ca -0.13 -1.89 -0.04 0.00 -2.23 0.00 0.00 60.65 56.37 3gtg s ILE 1238Cb -0.05 -1.97 0.04 0.00 -1.58 0.00 0.00 42.46 38.90 3gtg s ILE 1238CO 0.03 -0.10 0.18 -0.13 -1.23 0.00 0.00 174.94 173.70 3gtg s ARG 1239N -2.45 0.13 0.04 2.79 0.52 -1.17 -2.39 118.95 116.41 3gtg s ARG 1239Ca 0.16 0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.81 3gtg s ARG 1239Cb -0.08 -0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.20 3gtg s ARG 1239CO 0.08 -0.18 -0.01 0.00 0.02 0.00 0.00 175.30 175.21 3gtg s ARG 1241N -2.85 0.30 0.39 0.00 0.52 -1.24 -2.22 118.95 113.84 3gtg s ARG 1241Ca -0.03 0.82 -0.27 0.00 -0.52 0.00 0.00 55.73 55.73 3gtg s ARG 1241Cb 0.00 0.07 -0.11 0.00 0.52 0.00 0.00 34.95 35.43 3gtg s ARG 1241CO -0.06 -0.21 1.38 1.55 0.02 0.00 0.00 175.30 177.98 3gtg n VAL 1242N 4.79 2.21 -3.75 3.52 3.14 -1.26 -2.78 118.33 124.20 3gtg n VAL 1242Ca -0.16 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.59 3gtg n VAL 1242Cb 0.52 -1.76 -0.10 0.00 -1.06 0.00 0.00 33.84 31.43 3gtg n VAL 1242CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3gtg s VAL 1243N -1.14 0.00 -0.43 1.55 1.01 -1.21 -4.46 120.40 115.73 3gtg s VAL 1243Ca 0.56 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.52 3gtg s VAL 1243Cb -0.50 -0.51 0.24 0.00 0.00 0.00 0.00 36.38 35.60 3gtg s VAL 1243CO 0.61 -0.02 0.99 -1.14 0.00 0.00 0.00 175.10 175.54 3gtg n ARG 1244N 2.75 0.45 -2.65 2.72 3.00 -1.26 -4.32 116.66 117.35 3gtg n ARG 1244Ca -0.14 -1.35 -0.43 0.00 -0.00 0.00 0.00 57.85 55.94 3gtg n ARG 1244Cb 0.57 -0.88 -0.03 0.00 0.00 0.00 0.00 32.46 32.13 3gtg n ARG 1244CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3gtg s PRO 1245N 0.61 3.53 0.20 -0.14 0.02 -1.26 -4.97 135.00 132.99 3gtg s PRO 1245Ca 0.29 0.22 0.04 0.00 0.02 0.00 0.00 61.00 61.57 3gtg s PRO 1245Cb 0.16 -3.99 -0.02 0.00 0.02 0.00 0.00 34.50 30.68 3gtg s PRO 1245CO -0.14 -1.55 0.15 1.63 -0.33 0.00 0.00 177.00 176.77 3gtg n LYS 1246N 8.04 0.32 0.00 5.54 5.02 -1.26 -5.08 118.16 130.74 3gtg n LYS 1246Ca 0.08 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3gtg n LYS 1246Cb 0.49 1.54 0.00 0.00 -0.02 0.00 0.00 35.03 37.04 3gtg n LYS 1246CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3gtg n SER 1247N -2.14 0.00 -4.53 4.39 7.64 -1.26 -4.82 113.62 112.90 3gtg n SER 1247Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 3gtg n SER 1247Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 3gtg n SER 1247CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3gtg s LEU 1248N 0.00 3.49 0.00 -3.43 2.34 -1.26 -4.99 118.68 114.82 3gtg s LEU 1248Ca 0.00 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.67 3gtg s LEU 1248Cb 0.00 -2.59 0.00 0.00 -0.56 0.00 0.00 46.19 43.04 3gtg s LEU 1248CO 0.00 -1.70 0.00 0.47 -1.06 0.00 0.00 176.35 174.06 3gtg n ASP 1249N 8.87 1.08 0.00 1.48 10.43 -1.26 -5.14 116.55 132.01 3gtg n ASP 1249Ca 0.02 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.57 3gtg n ASP 1249Cb 0.48 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.44 3gtg n ASP 1249CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtg n ALA 1250N -3.00 2.59 -3.79 2.24 0.00 -1.26 -5.20 120.51 112.10 3gtg n ALA 1250Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3gtg n ALA 1250Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtg n ALA 1250CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gtg s GLU 1251N -0.59 0.42 -0.20 0.00 2.12 -1.26 -5.11 118.70 114.08 3gtg s GLU 1251Ca 0.00 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 3gtg s GLU 1251Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3gtg s GLU 1251CO 0.00 -0.20 0.04 0.25 -0.54 0.00 0.00 175.26 174.81 3gtg n THR 1252N -0.68 -8.22 -3.73 -1.70 -2.24 -1.26 -5.00 114.28 91.45 3gtg n THR 1252Ca -0.03 1.30 -0.36 0.00 -2.27 0.00 0.00 64.05 62.68 3gtg n THR 1252Cb 0.61 -5.45 -0.10 0.00 -2.10 0.00 0.00 70.33 63.29 3gtg n THR 1252CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gtg s GLU 1253N -1.46 2.54 0.00 -0.78 0.41 -1.26 -5.04 118.70 113.11 3gtg s GLU 1253Ca 0.02 -2.56 0.00 0.00 -0.41 0.00 0.00 54.97 52.02 3gtg s GLU 1253Cb -0.00 -3.71 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 3gtg s GLU 1253CO 0.50 -1.17 0.00 0.00 -0.49 0.00 0.00 175.26 174.10 3gtg n ALA 1254N 3.43 0.00 -0.51 5.21 0.00 -1.26 -5.11 120.51 122.28 3gtg n ALA 1254Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gtg n ALA 1254Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3gtg n ALA 1254CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3gtg n GLU 1255N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.88 120.64 114.78 3gtg n GLU 1255Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3gtg n GLU 1255Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3gtg n GLU 1255CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3gtg n GLU 1256N 0.00 0.00 0.22 3.44 2.13 -1.26 -4.77 120.64 120.40 3gtg n GLU 1256Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3gtg n GLU 1256Cb 0.00 -0.72 0.53 0.00 0.27 0.00 0.00 31.44 31.52 3gtg n GLU 1256CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3gtg h ASP 1257N 0.00 0.00 -0.18 4.31 5.19 -2.00 -2.43 116.42 121.31 3gtg h ASP 1257Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 3gtg h ASP 1257Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3gtg h ASP 1257CO 0.00 0.23 -0.49 0.45 -3.12 0.00 0.00 179.24 176.32 3gtg h HIS 1258N 0.00 0.84 0.00 4.55 3.86 -1.99 -3.10 115.15 119.31 3gtg h HIS 1258Ca -0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3gtg h HIS 1258Cb 0.48 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3gtg h HIS 1258CO 0.00 1.11 0.00 0.52 0.86 0.00 0.00 177.93 180.42 3gtg h MET 1259N 0.34 0.00 -0.13 2.45 2.86 -1.93 -2.84 114.93 115.68 3gtg h MET 1259Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3gtg h MET 1259Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 3gtg h MET 1259CO 0.11 0.00 -0.09 1.25 1.06 0.00 0.00 176.91 179.23 3gtg h LEU 1260N 0.00 0.31 -0.42 1.22 7.12 -1.37 -3.14 115.31 119.03 3gtg h LEU 1260Ca 0.00 -0.45 -0.06 0.00 0.13 0.00 0.00 57.88 57.50 3gtg h LEU 1260Cb 0.47 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 3gtg h LEU 1260CO 0.00 0.69 0.01 0.50 -0.13 0.00 0.00 178.44 179.51 3gtg h LYS 1261N -0.08 0.74 0.00 1.25 3.64 -1.48 -2.54 116.57 118.10 3gtg h LYS 1261Ca 0.02 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3gtg h LYS 1261Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3gtg h LYS 1261CO 0.03 0.81 0.03 1.63 -2.27 0.00 0.00 179.45 179.68 3gtg n LYS 1262N -4.43 0.09 -0.01 1.90 5.02 -1.09 0.01 118.16 119.66 3gtg n LYS 1262Ca -0.00 0.58 -0.17 0.00 -2.02 0.00 0.00 58.31 56.69 3gtg n LYS 1262Cb 0.29 -1.83 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 3gtg n LYS 1262CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtg n ILE 1263N -1.98 1.72 0.29 -0.18 5.41 -0.99 -2.29 119.36 121.35 3gtg n ILE 1263Ca -0.01 -0.70 0.18 0.00 1.00 0.00 0.00 62.75 63.22 3gtg n ILE 1263Cb 0.05 -1.50 0.78 0.00 -0.71 0.00 0.00 39.64 38.27 3gtg n ILE 1263CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 3gtg h GLU 1264N 0.05 0.00 0.18 0.38 -0.00 -0.94 0.22 114.58 114.46 3gtg h GLU 1264Ca -0.39 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 58.62 3gtg h GLU 1264Cb 2.03 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.79 3gtg h GLU 1264CO 0.08 0.01 -1.74 -0.97 -0.00 0.00 0.00 179.01 176.39 3gtg h ASN 1265N 0.00 0.60 -0.50 3.06 -1.24 -0.55 -3.19 115.58 113.75 3gtg h ASN 1265Ca -0.00 -0.94 -0.11 0.00 0.71 0.00 0.00 56.30 55.96 3gtg h ASN 1265Cb 0.42 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3gtg h ASN 1265CO 0.00 1.79 -0.11 0.74 -1.29 0.00 0.00 177.43 178.55 3gtg h THR 1266N 0.08 1.27 -0.57 -3.57 2.02 -1.39 -3.10 112.91 107.65 3gtg h THR 1266Ca -0.35 -1.25 0.11 0.00 0.77 0.00 0.00 66.41 65.69 3gtg h THR 1266Cb 2.08 1.04 -0.09 0.00 -1.74 0.00 0.00 68.15 69.44 3gtg h THR 1266CO 0.17 0.44 0.08 0.24 0.37 0.00 0.00 175.52 176.82 3gtg h MET 1267N 0.83 0.20 -0.09 6.66 2.86 -0.68 -0.17 114.93 124.53 3gtg h MET 1267Ca 0.13 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 3gtg h MET 1267Cb 0.67 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.29 3gtg h MET 1267CO 0.05 0.13 -0.43 -0.07 1.06 0.00 0.00 176.91 177.65 3gtg h LEU 1268N 0.20 0.54 -3.18 1.22 3.38 -1.58 -3.28 115.31 112.61 3gtg h LEU 1268Ca 0.30 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3gtg h LEU 1268Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3gtg h LEU 1268CO -0.42 1.10 0.00 -0.62 0.09 0.00 0.00 178.44 178.59 3gtg n GLU 1269N -4.30 3.33 0.00 1.13 1.02 -1.11 -3.57 120.64 117.13 3gtg n GLU 1269Ca -0.08 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 3gtg n GLU 1269Cb 0.56 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3gtg n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gtg n ASN 1270N 0.24 0.00 -4.68 1.62 3.02 -0.09 -5.02 115.26 110.34 3gtg n ASN 1270Ca 0.21 -1.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.38 3gtg n ASN 1270Cb 0.82 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.92 3gtg n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gtg s ILE 1271N 0.00 5.19 0.19 2.41 -1.09 -1.24 -5.02 121.20 121.64 3gtg s ILE 1271Ca 0.00 0.79 0.03 0.00 -2.23 0.00 0.00 60.65 59.24 3gtg s ILE 1271Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3gtg s ILE 1271CO 0.00 0.26 0.32 -0.89 -1.23 0.00 0.00 174.94 173.41 3gtg s THR 1272N 1.16 5.29 0.00 2.92 2.01 -1.26 -3.74 115.64 122.01 3gtg s THR 1272Ca 0.21 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3gtg s THR 1272Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3gtg s THR 1272CO 0.08 -0.19 0.00 0.18 -0.69 0.00 0.00 174.62 174.00 3gtg n LEU 1273N -0.88 0.94 -3.69 4.42 4.32 -1.05 -4.89 117.00 116.16 3gtg n LEU 1273Ca -0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.81 3gtg n LEU 1273Cb 0.55 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 3gtg n LEU 1273CO 0.47 0.11 0.15 0.00 -1.22 0.00 0.00 177.39 176.91 3gtg s ARG 1274N -1.95 0.52 0.00 3.23 1.70 -1.26 -5.05 118.95 116.13 3gtg s ARG 1274Ca 0.00 0.84 0.00 0.00 -0.47 0.00 0.00 55.73 56.10 3gtg s ARG 1274Cb 0.00 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 3gtg s ARG 1274CO 0.00 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 3gtg n GLY 1275N 3.75 0.27 3.89 3.88 0.00 -1.26 -3.58 105.19 112.14 3gtg n GLY 1275Ca -0.19 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 3gtg n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 1276N -1.03 5.07 1.07 1.61 1.01 -0.99 -4.88 120.40 122.26 3gtg s VAL 1276Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 3gtg s VAL 1276Cb 0.00 -3.62 0.23 0.00 0.00 0.00 0.00 36.38 32.98 3gtg s VAL 1276CO 0.00 0.01 1.08 -1.83 0.00 0.00 0.00 175.10 174.36 3gtg s GLU 1277N -2.67 -0.15 -0.67 2.72 -1.05 -1.26 -3.81 118.70 111.81 3gtg s GLU 1277Ca 0.43 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.74 3gtg s GLU 1277Cb -0.12 -1.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 3gtg s GLU 1277CO 0.23 -3.12 0.00 0.09 0.95 0.00 0.00 175.26 173.41 3gtg n ASN 1278N -4.44 -4.53 -3.82 0.83 3.02 -1.26 -4.68 115.26 100.38 3gtg n ASN 1278Ca 0.05 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.47 3gtg n ASN 1278Cb 0.57 -2.59 -0.16 0.00 -0.61 0.00 0.00 39.78 37.00 3gtg n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gtg s ILE 1279N -1.98 1.06 0.00 2.41 1.09 -1.26 -3.05 121.20 119.48 3gtg s ILE 1279Ca 0.00 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 3gtg s ILE 1279Cb 0.00 -1.56 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 3gtg s ILE 1279CO 0.00 -0.32 0.00 -0.62 -0.10 0.00 0.00 174.94 173.90 3gtg n GLU 1280N 4.82 2.92 -0.91 2.79 4.71 -0.63 -1.56 120.64 132.79 3gtg n GLU 1280Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.73 3gtg n GLU 1280Cb 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.83 3gtg n GLU 1280CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3gtg n ARG 1281N 0.00 0.00 -4.70 3.49 1.85 -1.26 -4.43 116.66 111.60 3gtg n ARG 1281Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 3gtg n ARG 1281Cb 0.00 -0.85 -0.17 0.00 -1.05 0.00 0.00 32.46 30.39 3gtg n ARG 1281CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3gtg s VAL 1282N -0.14 1.80 -0.03 8.89 1.01 -1.26 -3.51 120.40 127.16 3gtg s VAL 1282Ca 0.52 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3gtg s VAL 1282Cb -0.73 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3gtg s VAL 1282CO 0.35 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 175.31 3gtg s VAL 1283N 0.77 4.60 -0.46 2.92 1.01 0.14 -4.86 120.40 124.51 3gtg s VAL 1283Ca -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3gtg s VAL 1283Cb -0.16 -3.05 0.12 0.00 0.00 0.00 0.00 36.38 33.29 3gtg s VAL 1283CO 0.01 0.44 2.57 0.23 0.00 0.00 0.00 175.10 178.35 3gtg n MET 1284N 1.50 2.32 -2.31 2.72 2.81 -1.26 -2.26 117.12 120.64 3gtg n MET 1284Ca -0.15 -2.30 -0.41 0.00 -1.81 0.00 0.00 57.70 53.03 3gtg n MET 1284Cb 0.53 -2.06 -0.03 0.00 -0.71 0.00 0.00 33.22 30.95 3gtg n MET 1284CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3gtg s MET 1285N -1.93 4.48 -0.77 0.03 1.75 -0.71 -4.77 119.30 117.37 3gtg s MET 1285Ca 0.54 1.97 -0.14 0.00 -1.25 0.00 0.00 55.69 56.81 3gtg s MET 1285Cb 0.37 -3.18 0.20 0.00 2.84 0.00 0.00 34.83 35.06 3gtg s MET 1285CO -0.19 -0.06 0.71 0.21 -0.65 0.00 0.00 175.02 175.05 3gtg s LYS 1286N -0.92 3.47 0.96 4.11 2.20 -1.26 -0.04 119.74 128.26 3gtg s LYS 1286Ca 0.50 -2.34 -0.13 0.00 -0.36 0.00 0.00 55.97 53.64 3gtg s LYS 1286Cb -0.35 -4.38 0.17 0.00 -1.51 0.00 0.00 37.83 31.76 3gtg s LYS 1286CO 0.42 -1.29 1.14 0.71 -0.36 0.00 0.00 175.35 175.97 3gtg s TYR 1287N 0.39 2.15 0.40 4.03 2.02 -0.15 -4.88 117.35 121.32 3gtg s TYR 1287Ca 0.15 0.79 0.08 0.00 -0.37 0.00 0.00 57.07 57.72 3gtg s TYR 1287Cb -0.14 -3.43 -0.05 0.00 -0.40 0.00 0.00 41.96 37.94 3gtg s TYR 1287CO -0.07 -2.65 0.14 -0.51 -1.57 0.00 0.00 175.55 170.90 3gtg s ASP 1288N -3.98 4.37 -0.10 2.29 1.01 -1.26 -1.83 116.67 117.17 3gtg s ASP 1288Ca 0.66 -1.06 -0.30 0.00 0.71 0.00 0.00 52.55 52.55 3gtg s ASP 1288Cb -0.14 -0.50 0.09 0.00 1.01 0.00 0.00 42.92 43.38 3gtg s ASP 1288CO 0.54 -0.48 0.78 -0.60 0.21 0.00 0.00 175.17 175.62 3gtg s ARG 1289N -3.86 0.91 -0.14 8.23 3.52 -0.80 -4.86 118.95 121.94 3gtg s ARG 1289Ca 0.40 0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 56.23 3gtg s ARG 1289Cb 0.03 0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 33.82 3gtg s ARG 1289CO 0.22 -0.27 0.01 0.15 -0.81 0.00 0.00 175.30 174.60 3gtg s LYS 1290N -1.05 3.54 -0.10 5.12 1.02 -1.26 -1.04 119.74 125.96 3gtg s LYS 1290Ca -0.08 -0.42 -0.22 0.00 0.02 0.00 0.00 55.97 55.28 3gtg s LYS 1290Cb -0.01 -2.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3gtg s LYS 1290CO 0.07 0.42 0.53 0.08 -0.92 0.00 0.00 175.35 175.52 3gtg s VAL 1291N -0.08 0.02 -0.14 3.17 1.01 -1.16 -4.91 120.40 118.30 3gtg s VAL 1291Ca 0.04 -0.13 -0.40 0.00 0.00 0.00 0.00 61.98 61.50 3gtg s VAL 1291Cb -0.13 -0.80 -0.17 0.00 0.00 0.00 0.00 36.38 35.28 3gtg s VAL 1291CO 0.02 -0.07 1.52 -2.65 0.00 0.00 0.00 175.10 173.92 3gtg n PRO 1292N 1.78 0.94 -3.23 2.72 -0.02 -1.26 -2.92 135.00 133.01 3gtg n PRO 1292Ca -0.17 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.29 3gtg n PRO 1292Cb 0.56 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 3gtg n PRO 1292CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtg s SER 1293N 2.05 6.96 0.27 2.55 0.15 -0.61 -4.91 113.70 120.16 3gtg s SER 1293Ca 0.93 1.26 -0.06 0.00 0.70 0.00 0.00 55.95 58.78 3gtg s SER 1293Cb -1.09 -2.36 0.48 0.00 -1.71 0.00 0.00 66.02 61.35 3gtg s SER 1293CO 0.59 0.09 1.46 -2.65 1.20 0.00 0.00 173.24 173.94 3gtg n PRO 1294N 0.87 -0.08 0.17 5.44 -0.02 -1.26 -0.45 135.00 139.67 3gtg n PRO 1294Ca -0.04 1.45 0.12 0.00 -2.02 0.00 0.00 63.50 63.01 3gtg n PRO 1294Cb 0.51 -2.19 0.61 0.00 -0.02 0.00 0.00 33.50 32.42 3gtg n PRO 1294CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gtg h THR 1295N 0.00 0.00 0.00 3.45 1.35 -2.02 -3.46 112.91 112.23 3gtg h THR 1295Ca 0.47 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 3gtg h THR 1295Cb 0.77 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3gtg h THR 1295CO -0.95 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 174.93 3gtg n GLY 1296N -0.87 3.60 3.55 5.82 0.00 0.40 -2.75 105.19 114.94 3gtg n GLY 1296Ca -0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3gtg n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtg n GLU 1297N 0.00 -1.35 -3.06 1.61 4.71 -1.26 -4.42 120.64 116.87 3gtg n GLU 1297Ca 0.00 -0.35 -0.44 0.00 -0.01 0.00 0.00 57.16 56.36 3gtg n GLU 1297Cb 0.00 -2.22 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 3gtg n GLU 1297CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3gtg n TYR 1298N -4.53 4.47 -2.54 -0.32 4.02 -1.26 -1.57 117.16 115.43 3gtg n TYR 1298Ca 0.07 -3.42 -0.34 0.00 -0.01 0.00 0.00 57.90 54.20 3gtg n TYR 1298Cb 0.53 -1.81 -0.03 0.00 -0.02 0.00 0.00 39.34 38.01 3gtg n TYR 1298CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gtg s VAL 1299N -0.50 3.80 -0.25 -0.72 1.01 -1.15 -4.67 120.40 117.92 3gtg s VAL 1299Ca 0.35 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3gtg s VAL 1299Cb -0.03 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3gtg s VAL 1299CO -0.02 -0.25 1.09 -0.54 0.00 0.00 0.00 175.10 175.39 3gtg s LYS 1300N -3.24 4.20 -0.19 2.72 1.02 -1.26 -2.99 119.74 119.99 3gtg s LYS 1300Ca 0.67 1.33 -0.07 0.00 0.02 0.00 0.00 55.97 57.92 3gtg s LYS 1300Cb -0.16 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 3gtg s LYS 1300CO 0.20 -0.73 0.04 -2.00 -0.92 0.00 0.00 175.35 171.95 3gtg s GLU 1301N 3.39 3.88 -0.34 1.68 2.12 -0.21 -4.98 118.70 124.25 3gtg s GLU 1301Ca 0.46 -0.40 -0.20 0.00 0.36 0.00 0.00 54.97 55.20 3gtg s GLU 1301Cb -0.15 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.06 3gtg s GLU 1301CO 0.10 0.21 0.59 -1.25 -0.54 0.00 0.00 175.26 174.37 3gtg s PRO 1302N 0.54 3.73 0.26 4.30 0.04 -1.26 -1.90 135.00 140.70 3gtg s PRO 1302Ca 0.02 0.06 0.11 0.00 0.04 0.00 0.00 61.00 61.23 3gtg s PRO 1302Cb -0.13 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 3gtg s PRO 1302CO 0.01 -0.65 -0.13 -1.83 0.04 0.00 0.00 177.00 174.44 3gtg s GLU 1303N 2.57 1.90 -0.07 4.56 -1.05 -0.76 -4.56 118.70 121.30 3gtg s GLU 1303Ca 0.23 -1.58 -0.15 0.00 -0.15 0.00 0.00 54.97 53.32 3gtg s GLU 1303Cb -0.15 -1.94 -0.05 0.00 -0.44 0.00 0.00 34.13 31.55 3gtg s GLU 1303CO 0.13 0.36 0.38 -1.58 0.95 0.00 0.00 175.26 175.50 3gtg s TRP 1304N -2.28 3.62 0.10 4.83 0.52 -1.25 -0.97 118.94 123.51 3gtg s TRP 1304Ca 0.29 0.86 0.03 0.00 0.02 0.00 0.00 56.10 57.29 3gtg s TRP 1304Cb -0.06 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 3gtg s TRP 1304CO 0.16 0.48 -0.08 0.08 0.02 0.00 0.00 176.95 177.61 3gtg s VAL 1305N -0.43 0.79 -0.09 4.03 1.01 0.94 -4.36 120.40 122.29 3gtg s VAL 1305Ca 0.22 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 60.49 3gtg s VAL 1305Cb -0.15 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 3gtg s VAL 1305CO 0.10 -0.71 -0.24 -0.76 0.00 0.00 0.00 175.10 173.49 3gtg s LEU 1306N -2.70 2.07 0.15 3.92 1.43 -0.88 -1.74 118.68 120.93 3gtg s LEU 1306Ca 0.08 -0.54 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3gtg s LEU 1306Cb 0.01 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 3gtg s LEU 1306CO -0.02 0.18 -0.24 -1.61 0.23 0.00 0.00 176.35 174.89 3gtg s GLU 1307N 0.22 1.54 0.11 1.70 2.02 -0.96 0.19 118.70 123.51 3gtg s GLU 1307Ca -0.15 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 53.40 3gtg s GLU 1307Cb -0.17 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 3gtg s GLU 1307CO 0.07 0.44 0.16 0.99 0.02 0.00 0.00 175.26 176.94 3gtg s THR 1308N -1.32 0.13 -0.31 3.63 2.01 0.72 -0.69 115.64 119.81 3gtg s THR 1308Ca 0.18 -1.45 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 3gtg s THR 1308Cb -0.09 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.83 3gtg s THR 1308CO 0.08 -0.59 0.07 -1.81 -0.69 0.00 0.00 174.62 171.69 3gtg s ASP 1309N -2.93 5.13 0.00 3.53 1.11 -1.23 -3.08 116.67 119.20 3gtg s ASP 1309Ca 0.11 -0.94 0.00 0.00 0.18 0.00 0.00 52.55 51.90 3gtg s ASP 1309Cb 0.05 -1.85 0.00 0.00 1.07 0.00 0.00 42.92 42.20 3gtg s ASP 1309CO -0.06 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 176.65 3gtg n GLY 1310N 4.81 2.83 2.69 0.21 0.00 -1.09 -1.60 105.19 113.05 3gtg n GLY 1310Ca -0.14 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 3gtg n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtg s VAL 1311N -2.82 0.18 -0.41 1.61 1.01 -1.17 -3.67 120.40 115.12 3gtg s VAL 1311Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3gtg s VAL 1311Cb 0.00 -0.61 0.29 0.00 0.00 0.00 0.00 36.38 36.06 3gtg s VAL 1311CO 0.00 -0.05 0.62 -3.20 0.00 0.00 0.00 175.10 172.47 3gtg n ASN 1312N 5.19 0.85 0.14 3.32 2.85 -1.26 -4.99 115.26 121.36 3gtg n ASN 1312Ca -0.07 -2.89 0.16 0.00 -0.11 0.00 0.00 54.58 51.67 3gtg n ASN 1312Cb 0.49 -0.63 0.74 0.00 1.24 0.00 0.00 39.78 41.62 3gtg n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3gtg h LEU 1313N 3.66 0.00 -1.10 1.20 5.85 -1.97 -2.64 115.31 120.31 3gtg h LEU 1313Ca 0.09 0.00 0.41 0.00 0.84 0.00 0.00 57.88 59.23 3gtg h LEU 1313Cb 0.87 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.74 3gtg h LEU 1313CO 0.52 0.00 0.63 0.28 -0.34 0.00 0.00 178.44 179.53 3gtg h SER 1314N 0.00 0.33 0.00 1.25 0.02 -1.97 -3.04 113.55 110.13 3gtg h SER 1314Ca 0.13 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3gtg h SER 1314Cb 0.58 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3gtg h SER 1314CO -0.00 -0.34 0.00 -0.62 -1.14 0.00 0.00 176.83 174.73 3gtg n GLU 1315N -5.08 -0.18 0.05 3.45 -0.58 -1.01 -4.73 120.64 112.56 3gtg n GLU 1315Ca 0.37 -0.35 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 3gtg n GLU 1315Cb 1.30 -0.74 -0.14 0.00 -0.57 0.00 0.00 31.44 31.29 3gtg n GLU 1315CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gtg h VAL 1316N 0.69 0.97 0.00 2.62 2.07 -1.40 -3.37 116.25 117.83 3gtg h VAL 1316Ca 0.00 -2.63 -0.09 0.00 0.82 0.00 0.00 66.70 64.80 3gtg h VAL 1316Cb 0.34 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3gtg h VAL 1316CO 0.00 0.81 -0.43 0.00 0.02 0.00 0.00 177.57 177.97 3gtg h MET 1317N 0.07 0.00 0.00 1.57 -0.00 -1.85 -3.13 114.93 111.59 3gtg h MET 1317Ca -0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.37 3gtg h MET 1317Cb 2.04 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.64 3gtg h MET 1317CO 0.15 0.43 -0.11 1.79 -0.00 0.00 0.00 176.91 179.17 3gtg h THR 1318N 0.00 0.70 -1.37 -0.10 1.35 -1.85 -3.44 112.91 108.19 3gtg h THR 1318Ca -0.00 -0.45 -0.65 0.00 -0.55 0.00 0.00 66.41 64.75 3gtg h THR 1318Cb 0.97 1.27 0.11 0.00 -1.73 0.00 0.00 68.15 68.78 3gtg h THR 1318CO 0.06 0.11 -0.38 0.52 -0.25 0.00 0.00 175.52 175.58 3gtg n VAL 1319N -3.85 1.99 -2.55 6.82 0.31 -1.19 -4.93 118.33 114.93 3gtg n VAL 1319Ca -0.02 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.42 3gtg n VAL 1319Cb 0.21 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 32.85 3gtg n VAL 1319CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3gtg s PRO 1320N -1.14 4.54 0.00 5.55 0.02 -1.26 -4.16 135.00 138.55 3gtg s PRO 1320Ca 0.63 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3gtg s PRO 1320Cb -0.87 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.64 3gtg s PRO 1320CO 0.57 0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.82 3gtg n GLY 1321N 0.98 0.51 3.26 0.52 0.00 -1.26 -5.03 105.19 104.17 3gtg n GLY 1321Ca 0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 3gtg n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gtg s ILE 1322N -2.00 1.36 -0.48 -0.61 -0.00 -1.26 -3.81 121.20 114.40 3gtg s ILE 1322Ca 0.00 -1.88 -0.28 0.00 -0.00 0.00 0.00 60.65 58.49 3gtg s ILE 1322Cb 0.00 -1.69 0.03 0.00 -0.00 0.00 0.00 42.46 40.80 3gtg s ILE 1322CO 0.00 -0.52 1.07 -0.62 -0.00 0.00 0.00 174.94 174.87 3gtg s ASP 1323N -2.76 6.58 -0.42 4.36 -1.08 0.27 -4.59 116.67 119.03 3gtg s ASP 1323Ca 0.13 0.33 0.03 0.00 -0.52 0.00 0.00 52.55 52.51 3gtg s ASP 1323Cb -0.02 -2.52 0.54 0.00 -1.46 0.00 0.00 42.92 39.46 3gtg s ASP 1323CO 0.03 -1.21 1.83 -0.81 0.52 0.00 0.00 175.17 175.53 3gtg n PRO 1324N 7.67 2.13 0.00 4.34 -0.04 -1.26 -2.31 135.00 145.52 3gtg n PRO 1324Ca 0.10 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 3gtg n PRO 1324Cb 0.49 -2.02 -0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3gtg n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3gtg n THR 1325N -0.85 0.00 0.00 0.52 5.66 -1.26 -4.90 114.28 113.44 3gtg n THR 1325Ca 0.52 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3gtg n THR 1325Cb 1.36 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 71.15 3gtg n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gtg n ARG 1326N -0.60 0.00 -1.06 1.09 1.74 -1.10 -5.06 116.66 111.67 3gtg n ARG 1326Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3gtg n ARG 1326Cb 0.02 -0.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.76 3gtg n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3gtg n ILE 1327N -2.84 0.00 -4.34 0.55 3.06 -0.98 -4.89 119.36 109.92 3gtg n ILE 1327Ca 0.00 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.04 3gtg n ILE 1327Cb 0.49 -0.24 -0.16 0.00 0.54 0.00 0.00 39.64 40.27 3gtg n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 3gtg s TYR 1328N 1.44 0.94 -0.02 9.51 5.04 -0.87 -5.03 117.35 128.35 3gtg s TYR 1328Ca 0.64 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 3gtg s TYR 1328Cb -0.91 -0.71 -0.00 0.00 0.35 0.00 0.00 41.96 40.68 3gtg s TYR 1328CO 0.48 -0.15 -0.14 -0.08 -1.34 0.00 0.00 175.55 174.32 3gtg s THR 1329N 0.47 1.11 -2.00 4.34 -1.32 -1.26 -1.65 115.64 115.32 3gtg s THR 1329Ca -0.07 -0.56 0.10 0.00 -1.21 0.00 0.00 61.69 59.94 3gtg s THR 1329Cb -0.11 -0.95 0.29 0.00 -1.51 0.00 0.00 72.50 70.22 3gtg s THR 1329CO 0.01 0.32 1.06 -0.46 -2.21 0.00 0.00 174.62 173.34 3gtg n ASN 1330N 3.02 0.00 -4.47 8.08 6.94 -1.05 -4.30 115.26 123.47 3gtg n ASN 1330Ca -0.16 -0.72 -0.44 0.00 -0.02 0.00 0.00 54.58 53.24 3gtg n ASN 1330Cb 0.54 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.95 3gtg n ASN 1330CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3gtg s SER 1331N -1.80 6.78 0.50 0.53 0.15 -1.26 -4.81 113.70 113.80 3gtg s SER 1331Ca 0.15 -2.34 0.32 0.00 0.70 0.00 0.00 55.95 54.78 3gtg s SER 1331Cb 0.07 -2.43 1.76 0.00 -1.71 0.00 0.00 66.02 63.71 3gtg s SER 1331CO 0.12 -1.00 1.98 2.19 1.20 0.00 0.00 173.24 177.73 3gtg h PHE 1332N 8.26 0.00 -0.09 3.44 -5.15 -1.93 -1.37 116.94 120.10 3gtg h PHE 1332Ca 0.24 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.81 3gtg h PHE 1332Cb 0.96 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.14 3gtg h PHE 1332CO 1.17 0.00 -0.73 0.97 -2.00 0.00 0.00 178.31 177.72 3gtg h ILE 1333N 0.00 1.32 0.24 0.88 -0.00 -1.92 -2.69 117.51 115.33 3gtg h ILE 1333Ca 0.00 -2.00 -0.01 0.00 -0.00 0.00 0.00 64.86 62.85 3gtg h ILE 1333Cb 0.08 2.21 0.00 0.00 -0.00 0.00 0.00 36.82 39.11 3gtg h ILE 1333CO 0.00 0.61 -0.11 0.44 -0.00 0.00 0.00 178.15 179.09 3gtg h ASP 1334N 0.30 -0.27 0.00 2.19 5.19 -1.67 -2.75 116.42 119.41 3gtg h ASP 1334Ca -0.07 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3gtg h ASP 1334Cb 1.38 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.96 3gtg h ASP 1334CO 0.15 -0.06 0.32 0.40 -3.12 0.00 0.00 179.24 176.94 3gtg h ILE 1335N -0.48 0.00 0.08 0.35 1.08 -1.48 1.13 117.51 118.20 3gtg h ILE 1335Ca -0.03 0.00 -0.28 0.00 -0.39 0.00 0.00 64.86 64.15 3gtg h ILE 1335Cb 0.36 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 3gtg h ILE 1335CO 0.05 0.00 -1.42 -0.03 -0.69 0.00 0.00 178.15 176.06 3gtg h MET 1336N 0.00 0.17 0.00 2.37 4.05 -1.17 -3.15 114.93 117.21 3gtg h MET 1336Ca 0.00 -0.30 -0.16 0.00 -0.28 0.00 0.00 59.70 58.96 3gtg h MET 1336Cb 0.65 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 3gtg h MET 1336CO 0.00 1.03 -0.79 0.93 0.23 0.00 0.00 176.91 178.30 3gtg h GLU 1337N 0.05 0.00 0.01 0.39 5.08 0.13 -3.23 114.58 117.01 3gtg h GLU 1337Ca -0.19 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.77 3gtg h GLU 1337Cb 1.96 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.16 3gtg h GLU 1337CO 0.15 0.77 -2.25 0.28 -1.00 0.00 0.00 179.01 176.96 3gtg n VAL 1338N -3.29 1.55 0.12 3.13 0.31 -0.48 -4.67 118.33 115.00 3gtg n VAL 1338Ca 0.01 -0.40 0.07 0.00 -0.01 0.00 0.00 64.34 64.01 3gtg n VAL 1338Cb 0.85 -1.78 0.14 0.00 -0.91 0.00 0.00 33.84 32.14 3gtg n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gtg n LEU 1339N -3.96 2.76 0.00 7.52 4.77 -1.19 -5.09 117.00 121.82 3gtg n LEU 1339Ca -0.46 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3gtg n LEU 1339Cb 0.89 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3gtg n LEU 1339CO 0.16 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3gtg n GLY 1340N 0.80 -0.30 0.28 -0.72 0.00 -1.22 -4.37 105.19 99.66 3gtg n GLY 1340Ca 0.12 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.75 3gtg n GLY 1340CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gtg n ILE 1341N 0.51 -0.35 0.32 -0.61 0.13 -1.26 -0.05 119.36 118.05 3gtg n ILE 1341Ca 0.00 1.75 0.20 0.00 -1.10 0.00 0.00 62.75 63.60 3gtg n ILE 1341Cb 0.00 -2.37 1.03 0.00 -0.84 0.00 0.00 39.64 37.46 3gtg n ILE 1341CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3gtg h GLU 1342N 0.00 0.00 0.06 9.51 4.39 -1.94 0.15 114.58 126.76 3gtg h GLU 1342Ca 0.32 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.76 3gtg h GLU 1342Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3gtg h GLU 1342CO -0.76 0.01 -1.29 0.00 -1.16 0.00 0.00 179.01 175.81 3gtg h ALA 1343N 1.99 0.32 -0.02 3.43 0.00 -0.67 -3.30 119.26 121.01 3gtg h ALA 1343Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 54.91 53.89 3gtg h ALA 1343Cb 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gtg h ALA 1343CO 0.00 1.19 -0.15 0.78 0.00 0.00 0.00 179.25 181.08 3gtg h GLY 1344N 2.37 -1.39 -0.52 0.00 0.00 -0.57 -1.14 103.07 101.82 3gtg h GLY 1344Ca -0.14 0.65 0.15 0.00 0.00 0.00 0.00 47.33 48.00 3gtg h GLY 1344CO 0.15 -0.47 0.03 -2.13 0.00 0.00 0.00 176.54 174.12 3gtg n ARG 1345N -3.34 -0.04 0.19 4.80 0.63 -0.99 0.22 116.66 118.13 3gtg n ARG 1345Ca -0.02 0.78 0.13 0.00 -0.92 0.00 0.00 57.85 57.82 3gtg n ARG 1345Cb 0.11 -1.25 0.33 0.00 0.45 0.00 0.00 32.46 32.10 3gtg n ARG 1345CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gtg h ALA 1346N 1.05 1.00 0.05 5.13 0.00 -1.31 -2.56 119.26 122.61 3gtg h ALA 1346Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 3gtg h ALA 1346Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3gtg h ALA 1346CO -0.49 0.00 -1.33 0.00 0.00 0.00 0.00 179.25 177.43 3gtg h ALA 1347N 2.15 0.26 -0.39 0.00 0.00 0.34 -2.70 119.26 118.92 3gtg h ALA 1347Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 54.91 53.82 3gtg h ALA 1347Cb 0.81 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 3gtg h ALA 1347CO 0.00 0.79 -0.26 1.25 0.00 0.00 0.00 179.25 181.02 3gtg h LEU 1348N -0.66 -0.87 0.01 0.00 5.85 -1.12 0.79 115.31 119.30 3gtg h LEU 1348Ca -0.33 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3gtg h LEU 1348Cb 1.51 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 3gtg h LEU 1348CO -0.08 -0.28 -0.15 0.22 -0.34 0.00 0.00 178.44 177.80 3gtg h TYR 1349N -0.20 -0.45 -0.97 1.25 3.20 -1.62 0.93 116.97 119.11 3gtg h TYR 1349Ca 0.18 0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.38 3gtg h TYR 1349Cb 0.49 0.20 -0.17 0.00 1.54 0.00 0.00 36.73 38.78 3gtg h TYR 1349CO -0.48 -0.17 0.27 -0.22 -1.64 0.00 0.00 178.16 175.92 3gtg h LYS 1350N -0.20 0.06 -0.16 1.82 3.64 -0.72 0.69 116.57 121.70 3gtg h LYS 1350Ca 0.00 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3gtg h LYS 1350Cb 0.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3gtg h LYS 1350CO -0.10 0.04 -0.57 1.49 -2.27 0.00 0.00 179.45 178.04 3gtg h GLU 1351N 0.06 0.51 -0.17 1.90 4.57 0.13 0.16 114.58 121.73 3gtg h GLU 1351Ca 0.68 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.50 3gtg h GLU 1351Cb 1.57 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.20 3gtg h GLU 1351CO -0.81 0.94 -0.01 0.28 -1.18 0.00 0.00 179.01 178.23 3gtg h VAL 1352N 0.38 1.26 0.08 0.32 2.07 0.27 -3.20 116.25 117.43 3gtg h VAL 1352Ca 0.00 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3gtg h VAL 1352Cb 1.11 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3gtg h VAL 1352CO 0.10 0.27 -0.25 0.22 0.02 0.00 0.00 177.57 177.93 3gtg h TYR 1353N 0.05 -0.68 0.00 1.57 3.20 -0.10 -0.07 116.97 120.93 3gtg h TYR 1353Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gtg h TYR 1353Cb 0.41 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3gtg h TYR 1353CO 0.04 -0.35 0.00 0.09 -1.64 0.00 0.00 178.16 176.30 3gtg n ASN 1354N -5.37 0.30 -0.05 -2.11 3.02 0.52 -0.45 115.26 111.12 3gtg n ASN 1354Ca -0.06 -0.86 -0.06 0.00 -0.03 0.00 0.00 54.58 53.56 3gtg n ASN 1354Cb 0.28 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 3gtg n ASN 1354CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3gtg n VAL 1355N 0.05 0.65 0.00 2.41 3.14 -0.06 -4.31 118.33 120.21 3gtg n VAL 1355Ca 0.00 -0.32 -0.17 0.00 -2.96 0.00 0.00 64.34 60.88 3gtg n VAL 1355Cb 0.08 -0.84 -0.13 0.00 -1.06 0.00 0.00 33.84 31.88 3gtg n VAL 1355CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3gtg h ILE 1356N 0.00 1.59 -0.44 1.55 1.08 -0.49 -3.27 117.51 117.53 3gtg h ILE 1356Ca -0.26 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3gtg h ILE 1356Cb 1.49 3.15 0.00 0.00 -3.07 0.00 0.00 36.82 38.39 3gtg h ILE 1356CO -0.01 0.65 0.00 0.00 -0.69 0.00 0.00 178.15 178.10 3gtg n ALA 1357N -2.63 3.08 0.21 1.87 0.00 -0.72 -3.31 120.51 119.00 3gtg n ALA 1357Ca -0.12 -1.16 0.11 0.00 0.00 0.00 0.00 53.44 52.27 3gtg n ALA 1357Cb 0.67 -1.04 0.14 0.00 0.00 0.00 0.00 19.45 19.23 3gtg n ALA 1357CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gtg h SER 1358N 2.83 0.00 -0.20 0.00 4.64 -1.74 -3.34 113.55 115.73 3gtg h SER 1358Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtg h SER 1358Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gtg h SER 1358CO 0.22 0.06 0.00 0.47 -0.87 0.00 0.00 176.83 176.71 3gtg n ASP 1359N -3.10 2.62 -0.08 4.97 8.00 -1.24 -4.96 116.55 122.77 3gtg n ASP 1359Ca 0.04 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.77 3gtg n ASP 1359Cb 0.56 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 3gtg n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gtg n GLY 1360N 0.79 0.89 3.06 0.44 0.00 -1.25 -5.06 105.19 104.06 3gtg n GLY 1360Ca 0.11 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3gtg n GLY 1360CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gtg n SER 1361N 1.31 2.64 -3.64 1.61 7.64 -1.21 -5.05 113.62 116.93 3gtg n SER 1361Ca 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 58.87 57.21 3gtg n SER 1361Cb 0.35 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 3gtg n SER 1361CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gtg s TYR 1362N -2.30 -1.13 -0.07 1.43 5.04 -1.26 -4.15 117.35 114.91 3gtg s TYR 1362Ca 0.18 2.12 0.05 0.00 -2.44 0.00 0.00 57.07 56.98 3gtg s TYR 1362Cb -0.01 0.68 -0.01 0.00 0.35 0.00 0.00 41.96 42.96 3gtg s TYR 1362CO 0.11 -0.56 -0.22 0.08 -1.34 0.00 0.00 175.55 173.62 3gtg s VAL 1363N 2.12 2.31 0.27 3.14 1.01 -1.26 -4.68 120.40 123.31 3gtg s VAL 1363Ca -0.08 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 3gtg s VAL 1363Cb -0.08 -1.87 -0.11 0.00 0.00 0.00 0.00 36.38 34.33 3gtg s VAL 1363CO -0.19 0.57 1.50 0.21 0.00 0.00 0.00 175.10 177.18 3gtg s ASN 1364N -0.15 6.53 0.17 3.32 3.84 -1.15 -4.89 114.94 122.62 3gtg s ASN 1364Ca -0.03 2.80 -0.09 0.00 0.21 0.00 0.00 52.86 55.74 3gtg s ASN 1364Cb -0.14 -2.63 0.22 0.00 -0.55 0.00 0.00 41.25 38.15 3gtg s ASN 1364CO 0.04 -0.79 1.06 0.00 -2.79 0.00 0.00 177.10 174.62 3gtg n TYR 1365N 2.13 0.11 -0.34 0.43 9.36 -1.26 -2.57 117.16 125.03 3gtg n TYR 1365Ca 0.07 0.83 0.32 0.00 3.32 0.00 0.00 57.90 62.45 3gtg n TYR 1365Cb 0.39 -0.81 0.68 0.00 -0.63 0.00 0.00 39.34 38.98 3gtg n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3gtg h ARG 1366N 0.00 0.11 0.31 2.98 0.11 -1.90 -2.22 114.38 113.77 3gtg h ARG 1366Ca 0.27 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.33 3gtg h ARG 1366Cb 0.44 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3gtg h ARG 1366CO -0.68 0.07 -0.15 0.45 0.10 0.00 0.00 179.97 179.76 3gtg h HIS 1367N 0.11 -0.39 -0.57 4.08 3.86 -1.86 -2.05 115.15 118.34 3gtg h HIS 1367Ca 0.59 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.83 3gtg h HIS 1367Cb 2.11 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 30.67 3gtg h HIS 1367CO -0.00 -0.24 0.33 0.52 0.86 0.00 0.00 177.93 179.40 3gtg h MET 1368N -0.98 0.63 -0.91 2.45 2.86 -1.69 -0.67 114.93 116.62 3gtg h MET 1368Ca -0.04 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 3gtg h MET 1368Cb 0.32 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.75 3gtg h MET 1368CO 0.07 0.42 0.53 0.00 1.06 0.00 0.00 176.91 178.99 3gtg h ALA 1369N 1.26 1.38 -0.22 6.32 0.00 -1.53 0.83 119.26 127.31 3gtg h ALA 1369Ca 0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gtg h ALA 1369Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gtg h ALA 1369CO -0.12 0.05 0.12 1.25 0.00 0.00 0.00 179.25 180.56 3gtg h LEU 1370N 0.79 0.27 0.50 0.00 5.85 -0.39 0.98 115.31 123.31 3gtg h LEU 1370Ca 0.48 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 3gtg h LEU 1370Cb 0.57 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3gtg h LEU 1370CO -0.31 0.28 -0.39 0.25 -0.34 0.00 0.00 178.44 177.92 3gtg h LEU 1371N 0.24 -1.04 -1.43 2.25 5.85 -0.40 -2.12 115.31 118.66 3gtg h LEU 1371Ca 0.08 0.07 0.36 0.00 0.84 0.00 0.00 57.88 59.23 3gtg h LEU 1371Cb 0.06 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 3gtg h LEU 1371CO -0.01 -0.56 0.79 0.58 -0.34 0.00 0.00 178.44 178.90 3gtg h VAL 1372N -0.86 0.29 0.00 1.05 2.07 0.75 0.63 116.25 120.18 3gtg h VAL 1372Ca -0.07 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3gtg h VAL 1372Cb 0.72 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3gtg h VAL 1372CO 0.01 0.04 -0.53 0.44 0.02 0.00 0.00 177.57 177.54 3gtg h ASP 1373N 0.20 0.00 -0.36 0.57 5.19 -0.55 -3.26 116.42 118.21 3gtg h ASP 1373Ca 0.72 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.99 3gtg h ASP 1373Cb 2.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.65 3gtg h ASP 1373CO -0.34 0.44 -0.29 0.58 -3.12 0.00 0.00 179.24 176.51 3gtg h VAL 1374N 0.00 1.27 0.00 -1.35 2.07 0.94 -2.02 116.25 117.17 3gtg h VAL 1374Ca -0.02 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3gtg h VAL 1374Cb 1.35 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3gtg h VAL 1374CO 0.05 0.49 0.00 0.23 0.02 0.00 0.00 177.57 178.36 3gtg n MET 1375N -4.08 0.64 0.00 1.57 2.81 -1.05 -4.04 117.12 112.97 3gtg n MET 1375Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3gtg n MET 1375Cb 0.49 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3gtg n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtg n THR 1376N 0.41 0.00 0.11 2.03 -1.04 -0.77 -3.22 114.28 111.80 3gtg n THR 1376Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3gtg n THR 1376Cb 0.23 -0.57 -0.07 0.00 -1.82 0.00 0.00 70.33 68.10 3gtg n THR 1376CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3gtg h THR 1377N 0.00 0.87 -1.49 12.58 1.35 -1.67 -3.34 112.91 121.21 3gtg h THR 1377Ca 0.00 -0.01 -0.51 0.00 -0.55 0.00 0.00 66.41 65.34 3gtg h THR 1377Cb 0.31 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3gtg h THR 1377CO 0.00 0.00 1.60 1.67 -0.25 0.00 0.00 175.52 178.54 3gtg n GLN 1378N -5.17 1.14 0.00 4.72 7.27 -1.26 -4.78 117.38 119.30 3gtg n GLN 1378Ca -0.08 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3gtg n GLN 1378Cb 0.10 -3.14 0.00 0.00 2.41 0.00 0.00 30.24 29.61 3gtg n GLN 1378CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gtg n GLY 1379N 6.06 0.88 0.00 1.69 0.00 -1.25 -4.61 105.19 107.95 3gtg n GLY 1379Ca 0.39 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3gtg n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtg n GLY 1380N 0.00 1.66 3.65 -0.02 0.00 -1.26 -4.93 105.19 104.29 3gtg n GLY 1380Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3gtg n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtg s LEU 1381N 0.00 4.09 -0.21 0.99 1.43 -1.26 -4.30 118.68 119.42 3gtg s LEU 1381Ca 0.00 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 3gtg s LEU 1381Cb 0.00 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3gtg s LEU 1381CO 0.00 -0.52 -0.01 -0.89 0.23 0.00 0.00 176.35 175.17 3gtg s THR 1382N 2.81 3.77 0.81 5.49 2.01 -1.20 -5.05 115.64 124.29 3gtg s THR 1382Ca 0.36 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 3gtg s THR 1382Cb -0.15 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.72 3gtg s THR 1382CO 0.08 0.41 1.09 -0.94 -0.69 0.00 0.00 174.62 174.57 3gtg s SER 1383N 1.26 4.30 -1.08 3.53 1.04 -1.26 -4.60 113.70 116.89 3gtg s SER 1383Ca 0.03 1.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.88 3gtg s SER 1383Cb -0.15 -2.18 0.31 0.00 0.10 0.00 0.00 66.02 64.10 3gtg s SER 1383CO 0.00 -2.11 1.57 0.52 0.98 0.00 0.00 173.24 174.21 3gtg n VAL 1384N -3.54 5.47 -3.46 5.02 0.31 0.13 -0.31 118.33 121.95 3gtg n VAL 1384Ca 0.07 -5.89 -0.04 0.00 -0.01 0.00 0.00 64.34 58.47 3gtg n VAL 1384Cb 0.55 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3gtg n VAL 1384CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3gtg n THR 1385N 1.11 0.00 0.13 2.52 -1.04 -1.26 -4.76 114.28 110.98 3gtg n THR 1385Ca 0.31 -0.47 0.02 0.00 -2.04 0.00 0.00 64.05 61.86 3gtg n THR 1385Cb 0.32 0.38 0.07 0.00 -1.82 0.00 0.00 70.33 69.28 3gtg n THR 1385CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3gtg n ARG 1386N -0.20 0.01 -0.09 -2.82 1.85 -1.26 -2.06 116.66 112.09 3gtg n ARG 1386Ca -0.02 0.40 -0.22 0.00 -1.00 0.00 0.00 57.85 57.01 3gtg n ARG 1386Cb 0.22 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 3gtg n ARG 1386CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3gtg n HIS 1387N -1.45 0.48 0.00 2.89 -0.00 -1.26 -4.70 115.22 111.17 3gtg n HIS 1387Ca 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 3gtg n HIS 1387Cb 0.04 -1.06 0.00 0.00 -0.00 0.00 0.00 29.99 28.97 3gtg n HIS 1387CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gtg n GLY 1388N 1.84 -1.01 0.00 -1.41 0.00 -0.87 -4.74 105.19 98.99 3gtg n GLY 1388Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3gtg n GLY 1388CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gtg n PHE 1389N 0.00 -2.33 -3.05 1.61 1.16 0.57 -4.49 117.46 110.94 3gtg n PHE 1389Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3gtg n PHE 1389Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3gtg n PHE 1389CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3gtg n ASN 1390N -1.95 -3.24 0.00 5.98 0.23 -1.26 -4.59 115.26 110.42 3gtg n ASN 1390Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3gtg n ASN 1390Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3gtg n ASN 1390CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3gtg n ARG 1391N -0.94 0.00 -1.20 -3.83 1.85 -1.26 -4.71 116.66 106.56 3gtg n ARG 1391Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 3gtg n ARG 1391Cb 0.00 -2.55 -0.11 0.00 -1.05 0.00 0.00 32.46 28.75 3gtg n ARG 1391CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3gtg n SER 1392N 0.00 6.48 -1.84 2.89 3.41 -1.26 -4.68 113.62 118.62 3gtg n SER 1392Ca 0.00 -2.63 -0.06 0.00 -0.26 0.00 0.00 58.87 55.92 3gtg n SER 1392Cb 0.00 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 62.51 3gtg n SER 1392CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3gtg n ASN 1393N 2.54 -1.94 0.00 4.04 6.94 -1.26 -4.86 115.26 120.72 3gtg n ASN 1393Ca 0.54 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 55.36 3gtg n ASN 1393Cb 0.66 -1.89 0.00 0.00 -2.36 0.00 0.00 39.78 36.18 3gtg n ASN 1393CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3gtg n THR 1394N -2.17 0.00 -3.40 5.53 -1.04 -1.26 -4.92 114.28 107.02 3gtg n THR 1394Ca -0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 3gtg n THR 1394Cb 0.38 -0.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.96 3gtg n THR 1394CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3gtg s GLY 1395N 0.00 -0.43 0.05 3.41 0.00 -1.26 -4.84 107.32 104.25 3gtg s GLY 1395Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 3gtg s GLY 1395CO 0.00 2.64 0.79 0.00 0.00 0.00 0.00 173.10 176.54 3gtg n ALA 1396N 5.37 -0.20 -0.30 3.20 0.00 -1.26 0.08 120.51 127.41 3gtg n ALA 1396Ca -0.04 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.79 3gtg n ALA 1396Cb 0.50 0.11 0.29 0.00 0.00 0.00 0.00 19.45 20.35 3gtg n ALA 1396CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gtg h LEU 1397N 0.00 0.11 0.00 0.00 3.38 -1.97 0.32 115.31 117.14 3gtg h LEU 1397Ca 0.05 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3gtg h LEU 1397Cb 0.13 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3gtg h LEU 1397CO -0.29 -0.10 -0.45 -0.03 0.09 0.00 0.00 178.44 177.66 3gtg h MET 1398N 0.27 0.00 0.00 1.13 -1.53 -0.67 -2.45 114.93 111.67 3gtg h MET 1398Ca 0.55 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.59 3gtg h MET 1398Cb 1.07 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.12 3gtg h MET 1398CO -0.60 0.16 -0.91 0.00 0.14 0.00 0.00 176.91 175.70 3gtg h ARG 1399N 0.00 0.31 0.00 0.39 3.08 0.79 -3.32 114.38 115.63 3gtg h ARG 1399Ca -0.02 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.57 3gtg h ARG 1399Cb 1.16 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3gtg h ARG 1399CO 0.02 1.03 -0.66 0.00 -1.07 0.00 0.00 179.97 179.29 3gtg n SER 1401N -3.48 0.16 0.00 0.00 3.41 -0.93 -4.23 113.62 108.55 3gtg n SER 1401Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 3gtg n SER 1401Cb 0.72 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3gtg n SER 1401CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gtg n PHE 1402N -0.27 0.00 -4.40 7.33 7.35 -1.20 -4.91 117.46 121.35 3gtg n PHE 1402Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 3gtg n PHE 1402Cb 0.04 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.77 3gtg n PHE 1402CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3gtg s GLU 1403N 0.00 1.61 -1.13 -4.13 2.12 -1.26 -4.90 118.70 111.01 3gtg s GLU 1403Ca 0.00 -1.91 -0.26 0.00 0.36 0.00 0.00 54.97 53.16 3gtg s GLU 1403Cb 0.00 -0.52 0.03 0.00 0.26 0.00 0.00 34.13 33.90 3gtg s GLU 1403CO 0.00 -0.31 0.70 0.39 -0.54 0.00 0.00 175.26 175.50 3gtg n GLU 1404N -0.64 -0.65 0.10 4.30 1.02 -1.26 -4.76 120.64 118.76 3gtg n GLU 1404Ca -0.02 0.28 -0.03 0.00 -0.02 0.00 0.00 57.16 57.37 3gtg n GLU 1404Cb 0.66 -2.86 0.18 0.00 -0.02 0.00 0.00 31.44 29.39 3gtg n GLU 1404CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3gtg h THR 1405N -2.08 1.36 0.00 2.62 2.02 -1.91 -3.31 112.91 111.61 3gtg h THR 1405Ca -0.68 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 64.69 3gtg h THR 1405Cb 1.39 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 3gtg h THR 1405CO 0.48 0.53 0.00 0.52 0.37 0.00 0.00 175.52 177.43 3gtg n VAL 1406N -3.93 0.00 -0.28 3.16 0.31 -1.26 -4.07 118.33 112.26 3gtg n VAL 1406Ca -0.02 0.33 0.21 0.00 -0.01 0.00 0.00 64.34 64.85 3gtg n VAL 1406Cb 0.56 -0.99 0.40 0.00 -0.91 0.00 0.00 33.84 32.90 3gtg n VAL 1406CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gtg n GLU 1407N -1.49 -0.06 -0.05 5.55 1.02 -1.26 -0.60 120.64 123.75 3gtg n GLU 1407Ca 0.00 1.21 -0.13 0.00 -0.02 0.00 0.00 57.16 58.22 3gtg n GLU 1407Cb 0.00 -2.06 -0.08 0.00 -0.02 0.00 0.00 31.44 29.28 3gtg n GLU 1407CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3gtg h ILE 1408N 0.00 0.06 -0.03 -3.67 1.08 -1.76 0.42 117.51 113.60 3gtg h ILE 1408Ca 0.64 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 65.06 3gtg h ILE 1408Cb 1.56 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 3gtg h ILE 1408CO -0.71 0.00 -0.20 -0.07 -0.69 0.00 0.00 178.15 176.48 3gtg h LEU 1409N -0.48 0.04 0.16 1.44 3.38 -1.00 -0.06 115.31 118.79 3gtg h LEU 1409Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gtg h LEU 1409Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gtg h LEU 1409CO -0.48 0.25 -0.08 -0.26 0.09 0.00 0.00 178.44 177.96 3gtg h PHE 1410N 0.04 -0.20 0.00 1.13 0.05 0.29 -0.90 116.94 117.34 3gtg h PHE 1410Ca 0.01 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3gtg h PHE 1410Cb 0.38 0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.40 3gtg h PHE 1410CO 0.00 -0.13 0.00 1.05 -0.18 0.00 0.00 178.31 179.05 3gtg h GLU 1411N -0.29 0.00 -0.02 1.51 4.11 -0.23 0.74 114.58 120.39 3gtg h GLU 1411Ca -0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.26 3gtg h GLU 1411Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gtg h GLU 1411CO 0.04 0.00 -0.66 0.00 0.07 0.00 0.00 179.01 178.45 3gtg h ALA 1412N 2.00 0.85 0.00 1.06 0.00 -0.98 0.07 119.26 122.25 3gtg h ALA 1412Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gtg h ALA 1412Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gtg h ALA 1412CO 0.00 0.80 0.00 0.78 0.00 0.00 0.00 179.25 180.83 3gtg h GLY 1413N 1.78 0.00 0.02 0.00 0.00 0.19 -3.12 103.07 101.95 3gtg h GLY 1413Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3gtg h GLY 1413CO 0.09 0.00 -1.26 0.00 0.00 0.00 0.00 176.54 175.38 3gtg h ALA 1414N 2.24 0.26 -0.01 3.60 0.00 -1.19 -3.34 119.26 120.84 3gtg h ALA 1414Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3gtg h ALA 1414Cb 0.78 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3gtg h ALA 1414CO 0.00 0.71 0.02 0.77 0.00 0.00 0.00 179.25 180.75 3gtg h SER 1415N -0.97 0.00 -5.71 0.00 0.02 -1.09 -3.43 113.55 102.37 3gtg h SER 1415Ca -0.35 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.42 3gtg h SER 1415Cb 1.32 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.92 3gtg h SER 1415CO -0.20 0.00 -0.47 0.00 -1.14 0.00 0.00 176.83 175.02 3gtg n ALA 1416N -2.18 -2.55 -2.70 3.77 0.00 -1.20 -4.55 120.51 111.09 3gtg n ALA 1416Ca -0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 3gtg n ALA 1416Cb 0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 16.85 3gtg n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gtg s GLU 1417N -4.00 4.46 -0.16 0.00 2.02 -1.18 -4.91 118.70 114.93 3gtg s GLU 1417Ca 0.16 1.24 -0.20 0.00 0.02 0.00 0.00 54.97 56.19 3gtg s GLU 1417Cb -0.04 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 3gtg s GLU 1417CO 0.79 -0.13 0.57 -1.17 0.02 0.00 0.00 175.26 175.34 3gtg s LEU 1418N 1.36 4.20 -0.08 1.80 2.96 -1.26 -2.18 118.68 125.48 3gtg s LEU 1418Ca 0.46 0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 3gtg s LEU 1418Cb -0.19 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 3gtg s LEU 1418CO 0.21 -0.15 0.35 -0.62 -1.32 0.00 0.00 176.35 174.82 3gtg s ASP 1419N 0.98 6.63 0.06 3.68 2.15 0.13 -4.95 116.67 125.35 3gtg s ASP 1419Ca 0.28 0.74 -0.17 0.00 0.43 0.00 0.00 52.55 53.83 3gtg s ASP 1419Cb -0.16 -2.21 -0.16 0.00 -0.30 0.00 0.00 42.92 40.09 3gtg s ASP 1419CO 0.11 0.21 1.28 -0.78 -0.17 0.00 0.00 175.17 175.82 3gtg h ASP 1420N 5.66 0.63 -5.76 -0.34 3.58 -1.87 -3.10 116.42 115.22 3gtg h ASP 1420Ca -0.47 -0.59 -0.35 0.00 0.42 0.00 0.00 57.03 56.03 3gtg h ASP 1420Cb 1.20 -0.18 0.14 0.00 1.72 0.00 0.00 39.33 42.21 3gtg h ASP 1420CO 0.68 1.12 -0.78 0.00 -2.88 0.00 0.00 179.24 177.37 3gtg n ARG 1422N -4.17 -0.78 -1.93 0.00 1.74 -1.26 -4.91 116.66 105.35 3gtg n ARG 1422Ca -0.29 -0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 56.06 3gtg n ARG 1422Cb 0.67 -0.92 0.16 0.00 -1.02 0.00 0.00 32.46 31.35 3gtg n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3gtg s GLY 1423N -0.01 1.73 -0.00 -0.13 0.00 -1.26 -4.87 107.32 102.77 3gtg s GLY 1423Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 3gtg s GLY 1423CO 0.00 -0.36 0.63 -2.08 0.00 0.00 0.00 173.10 171.29 3gtg h VAL 1424N -1.47 0.00 -0.19 1.40 2.07 -1.94 -3.33 116.25 112.79 3gtg h VAL 1424Ca -0.45 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3gtg h VAL 1424Cb 1.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3gtg h VAL 1424CO 0.46 0.00 0.16 0.28 0.02 0.00 0.00 177.57 178.49 3gtg h SER 1425N -0.34 0.00 0.02 0.57 0.02 -1.95 0.19 113.55 112.06 3gtg h SER 1425Ca -0.02 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3gtg h SER 1425Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3gtg h SER 1425CO 0.04 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.20 3gtg h GLU 1426N 0.00 -0.32 0.00 3.45 3.07 -1.90 -2.60 114.58 116.28 3gtg h GLU 1426Ca 0.09 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3gtg h GLU 1426Cb 0.42 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3gtg h GLU 1426CO -0.00 -0.21 -0.39 -0.91 -1.40 0.00 0.00 179.01 176.10 3gtg h ASN 1427N -0.33 0.00 0.21 1.42 4.21 -0.73 -2.26 115.58 118.10 3gtg h ASN 1427Ca 0.05 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 3gtg h ASN 1427Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3gtg h ASN 1427CO -0.17 0.39 -0.10 0.58 -1.29 0.00 0.00 177.43 176.83 3gtg h VAL 1428N 0.00 0.83 0.00 2.81 2.07 -1.48 -1.65 116.25 118.83 3gtg h VAL 1428Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gtg h VAL 1428Cb 1.05 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3gtg h VAL 1428CO 0.05 0.05 0.00 -0.38 0.02 0.00 0.00 177.57 177.31 3gtg n ILE 1429N -5.17 0.00 -1.37 4.57 5.41 -0.86 -0.91 119.36 121.03 3gtg n ILE 1429Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3gtg n ILE 1429Cb 0.17 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 3gtg n ILE 1429CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3gtg n LEU 1430N 0.12 0.00 -3.50 1.39 4.77 -1.19 -5.05 117.00 113.55 3gtg n LEU 1430Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3gtg n LEU 1430Cb 0.09 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 3gtg n LEU 1430CO 0.00 0.10 0.19 0.61 -1.33 0.00 0.00 177.39 176.96 3gtg n GLY 1431N 0.00 -0.46 3.46 -0.72 0.00 -0.09 -5.02 105.19 102.36 3gtg n GLY 1431Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3gtg n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtg s GLN 1432N -5.91 1.65 -0.10 1.61 -0.21 -0.67 -5.06 119.66 110.96 3gtg s GLN 1432Ca 0.34 -1.52 -0.29 0.00 0.02 0.00 0.00 55.36 53.91 3gtg s GLN 1432Cb -0.15 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.92 3gtg s GLN 1432CO 0.72 0.39 1.62 1.41 -2.12 0.00 0.00 175.29 177.31 3gtg s MET 1433N -2.83 4.09 -0.20 2.91 -2.45 -1.26 -4.52 119.30 115.03 3gtg s MET 1433Ca 0.23 2.03 -0.21 0.00 -1.25 0.00 0.00 55.69 56.49 3gtg s MET 1433Cb -0.08 -3.98 -0.02 0.00 1.25 0.00 0.00 34.83 32.00 3gtg s MET 1433CO 0.12 -0.95 0.63 0.00 1.05 0.00 0.00 175.02 175.87 3gtg s ALA 1434N 4.30 3.55 0.00 4.11 0.00 -1.26 -4.91 121.76 127.54 3gtg s ALA 1434Ca 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3gtg s ALA 1434Cb -0.30 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3gtg s ALA 1434CO 0.28 -0.57 0.20 -2.30 0.00 0.00 0.00 175.76 173.37 3gtg n PRO 1435N 5.08 0.00 -3.75 0.00 -0.02 -1.26 -4.50 135.00 130.55 3gtg n PRO 1435Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.34 3gtg n PRO 1435Cb 0.50 -0.34 -0.12 0.00 -0.02 0.00 0.00 33.50 33.52 3gtg n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtg s ILE 1436N 0.81 -0.01 0.00 4.25 1.01 -1.25 -4.77 121.20 121.23 3gtg s ILE 1436Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3gtg s ILE 1436Cb 0.00 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.05 3gtg s ILE 1436CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3gtg n GLY 1437N 3.46 0.20 0.25 6.18 0.00 -0.68 0.26 105.19 114.84 3gtg n GLY 1437Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3gtg n GLY 1437CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gtg h THR 1438N 0.00 0.73 -0.34 2.61 2.02 -1.91 -2.74 112.91 113.28 3gtg h THR 1438Ca 0.00 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3gtg h THR 1438Cb 0.00 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3gtg h THR 1438CO 0.00 0.16 0.01 0.61 0.37 0.00 0.00 175.52 176.67 3gtg n GLY 1439N -0.65 3.92 0.26 2.16 0.00 0.71 -4.66 105.19 106.93 3gtg n GLY 1439Ca -0.02 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.09 3gtg n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg h ALA 1440N 2.13 1.21 -2.30 4.61 0.00 -1.46 -3.34 119.26 120.11 3gtg h ALA 1440Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3gtg h ALA 1440Cb 1.59 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 3gtg h ALA 1440CO 0.30 0.16 -0.67 -0.59 0.00 0.00 0.00 179.25 178.45 3gtg s PHE 1441N -4.07 0.77 0.01 0.00 -0.12 -1.26 -4.93 117.98 108.38 3gtg s PHE 1441Ca -0.02 -1.08 -0.00 0.00 -0.05 0.00 0.00 56.93 55.77 3gtg s PHE 1441Cb 0.12 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.00 3gtg s PHE 1441CO 0.59 -0.35 0.12 -0.51 -0.05 0.00 0.00 175.22 175.01 3gtg s ASP 1442N -3.01 5.88 -0.14 1.98 -0.00 -1.26 -5.10 116.67 115.01 3gtg s ASP 1442Ca 0.15 0.18 -0.05 0.00 -0.00 0.00 0.00 52.55 52.83 3gtg s ASP 1442Cb 0.07 -1.73 -0.03 0.00 -0.00 0.00 0.00 42.92 41.23 3gtg s ASP 1442CO -0.04 0.25 0.02 -0.69 -0.00 0.00 0.00 175.17 174.71 3gtg s VAL 1443N -1.28 4.43 0.33 -1.27 1.01 -1.26 -5.11 120.40 117.25 3gtg s VAL 1443Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3gtg s VAL 1443Cb -0.12 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gtg s VAL 1443CO 0.17 0.52 0.11 -0.04 0.00 0.00 0.00 175.10 175.86 3gtg s MET 1444N -0.08 1.66 -0.20 2.72 -1.94 -1.26 -5.16 119.30 115.04 3gtg s MET 1444Ca 0.05 -1.95 -0.07 0.00 -1.71 0.00 0.00 55.69 52.01 3gtg s MET 1444Cb -0.13 -0.48 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 3gtg s MET 1444CO 0.02 -0.35 0.06 0.96 -0.01 0.00 0.00 175.02 175.69 3gtg s ILE 1445N -3.45 4.55 -1.24 2.53 -4.36 -1.26 -5.03 121.20 112.95 3gtg s ILE 1445Ca 0.33 -0.11 0.27 0.00 -0.26 0.00 0.00 60.65 60.88 3gtg s ILE 1445Cb 0.06 -3.08 0.18 0.00 1.25 0.00 0.00 42.46 40.87 3gtg s ILE 1445CO 0.15 0.42 1.62 -0.90 0.24 0.00 0.00 174.94 176.47 3gtg n ASP 1446N 4.04 0.48 0.00 4.36 3.85 -1.26 -5.06 116.55 122.96 3gtg n ASP 1446Ca -0.16 -0.26 0.00 0.00 -0.71 0.00 0.00 54.79 53.66 3gtg n ASP 1446Cb 0.52 0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 3gtg n ASP 1446CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gtg n GLU 1447N -1.27 0.00 -0.17 0.11 4.71 -1.26 -4.84 120.64 117.92 3gtg n GLU 1447Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3gtg n GLU 1447Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.76 3gtg n GLU 1447CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3gtg n GLU 1448N 0.00 0.00 -3.23 3.49 0.00 -1.26 -4.80 120.64 114.85 3gtg n GLU 1448Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 3gtg n GLU 1448Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 31.44 27.92 3gtg n GLU 1448CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3gtg s SER 1449N -2.47 -0.91 -1.56 4.31 0.15 -1.26 -4.50 113.70 107.47 3gtg s SER 1449Ca 0.00 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.00 3gtg s SER 1449Cb 0.00 1.67 0.08 0.00 -1.71 0.00 0.00 66.02 66.05 3gtg s SER 1449CO 0.00 -0.25 0.60 0.18 1.20 0.00 0.00 173.24 174.98 3gtg n LEU 1450N 4.82 -1.96 0.00 3.45 7.99 -1.26 -5.06 117.00 124.97 3gtg n LEU 1450Ca 0.08 -1.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.07 3gtg n LEU 1450Cb 0.53 -2.16 0.00 0.00 -0.11 0.00 0.00 43.42 41.69 3gtg n LEU 1450CO -0.00 0.37 0.00 0.55 -1.51 0.00 0.00 177.39 176.80