#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3e s ARG 2 N 0.00 3.26 -0.12 2.12 0.52 -1.26 0.12 118.95 123.59 3g3e s ARG 2 Ca 0.00 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 3g3e s ARG 2 Cb 0.00 -3.77 -0.02 0.00 0.52 0.00 0.00 34.95 31.69 3g3e s ARG 2 CO 0.00 -0.53 -0.13 0.08 0.02 0.00 0.00 175.30 174.74 3g3e s VAL 3 N 1.66 3.03 -0.26 3.52 1.01 0.33 -0.33 120.40 129.37 3g3e s VAL 3 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3g3e s VAL 3 Cb -0.18 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3g3e s VAL 3 CO 0.09 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.97 3g3e s VAL 4 N 0.26 2.86 -0.28 2.92 1.01 -0.17 -1.47 120.40 125.54 3g3e s VAL 4 Ca -0.09 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 3g3e s VAL 4 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3g3e s VAL 4 CO 0.05 0.15 0.59 -0.69 0.00 0.00 0.00 175.10 175.20 3g3e s VAL 5 N 1.31 4.99 -0.45 2.92 1.01 -0.07 -0.75 120.40 129.36 3g3e s VAL 5 Ca -0.01 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 3g3e s VAL 5 Cb -0.17 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.32 3g3e s VAL 5 CO -0.04 -0.03 0.44 -0.63 0.00 0.00 0.00 175.10 174.84 3g3e s ILE 6 N 2.48 5.11 0.00 2.22 1.01 -0.17 0.18 121.20 132.03 3g3e s ILE 6 Ca 0.24 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3g3e s ILE 6 Cb -0.15 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3g3e s ILE 6 CO 0.10 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.14 3g3e n GLY 7 N 5.15 3.99 0.61 6.18 0.00 0.42 -0.60 105.19 120.95 3g3e n GLY 7 Ca -0.09 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.75 3g3e n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e n ALA 8 N -0.23 2.71 -1.25 4.61 0.00 -1.26 -4.06 120.51 121.03 3g3e n ALA 8 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 3g3e n ALA 8 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3g3e n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3e n GLY 9 N -0.70 -0.61 0.31 0.00 0.00 -1.26 -4.52 105.19 98.41 3g3e n GLY 9 Ca 0.12 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 3g3e n GLY 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3e h VAL 10 N -0.64 1.26 0.53 1.61 3.04 -1.95 -1.89 116.25 118.21 3g3e h VAL 10 Ca 0.00 -1.03 -0.03 0.00 -1.01 0.00 0.00 66.70 64.63 3g3e h VAL 10 Cb 0.00 0.73 0.01 0.00 -2.01 0.00 0.00 31.29 30.01 3g3e h VAL 10 CO 0.00 0.38 -0.25 0.40 -1.01 0.00 0.00 177.57 177.09 3g3e h ILE 11 N 0.93 0.45 0.29 3.17 1.08 -1.91 -1.51 117.51 120.01 3g3e h ILE 11 Ca 0.18 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3g3e h ILE 11 Cb 0.45 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3g3e h ILE 11 CO 0.02 0.03 -0.43 1.23 -0.69 0.00 0.00 178.15 178.31 3g3e h GLY 12 N -0.83 -1.18 1.13 5.37 0.00 -1.72 -0.31 103.07 105.54 3g3e h GLY 12 Ca -0.07 0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.85 3g3e h GLY 12 CO 0.12 -0.33 0.57 1.41 0.00 0.00 0.00 176.54 178.31 3g3e h LEU 13 N -0.75 0.98 0.65 3.11 3.38 -1.39 -0.81 115.31 120.48 3g3e h LEU 13 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3g3e h LEU 13 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3g3e h LEU 13 CO -0.13 0.70 -0.46 0.28 0.09 0.00 0.00 178.44 178.92 3g3e h SER 14 N 1.15 -1.20 -0.77 -0.43 0.02 -1.14 -1.55 113.55 109.64 3g3e h SER 14 Ca 0.32 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 61.43 3g3e h SER 14 Cb -0.11 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 3g3e h SER 14 CO -0.08 -0.67 0.43 0.74 -1.14 0.00 0.00 176.83 176.12 3g3e h THR 15 N -1.06 0.93 0.00 -2.27 2.02 -0.82 0.60 112.91 112.31 3g3e h THR 15 Ca -0.09 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3g3e h THR 15 Cb 0.87 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3g3e h THR 15 CO 0.05 0.14 -0.24 0.00 0.37 0.00 0.00 175.52 175.84 3g3e h ALA 16 N 1.42 -0.32 0.01 6.16 0.00 -1.07 0.27 119.26 125.73 3g3e h ALA 16 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3g3e h ALA 16 Cb 0.30 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3g3e h ALA 16 CO -0.23 -0.74 -0.00 1.25 0.00 0.00 0.00 179.25 179.53 3g3e h LEU 17 N -0.37 -0.01 -0.90 0.00 5.85 -0.37 0.06 115.31 119.56 3g3e h LEU 17 Ca 0.06 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.74 3g3e h LEU 17 Cb 0.45 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 3g3e h LEU 17 CO -0.21 0.13 0.54 0.00 -0.34 0.00 0.00 178.44 178.56 3g3e h ILE 19 N 0.89 1.36 -0.06 0.00 2.04 -0.04 -2.57 117.51 119.13 3g3e h ILE 19 Ca 0.44 -1.88 -0.22 0.00 1.00 0.00 0.00 64.86 64.19 3g3e h ILE 19 Cb 0.40 1.90 0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3g3e h ILE 19 CO -0.25 0.57 -0.83 -0.74 0.00 0.00 0.00 178.15 176.90 3g3e h HIS 20 N 0.27 0.94 -0.43 1.37 2.76 -0.44 -2.75 115.15 116.88 3g3e h HIS 20 Ca -0.00 -0.47 0.07 0.00 -2.20 0.00 0.00 60.37 57.77 3g3e h HIS 20 Cb 1.09 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.86 3g3e h HIS 20 CO 0.03 1.30 0.05 0.93 -1.30 0.00 0.00 177.93 178.94 3g3e h GLU 21 N 0.31 0.16 0.00 5.26 5.08 -0.78 -2.38 114.58 122.24 3g3e h GLU 21 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3g3e h GLU 21 Cb 1.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3g3e h GLU 21 CO 0.17 0.11 -0.55 -0.09 -1.00 0.00 0.00 179.01 177.65 3g3e h ARG 22 N 0.17 0.00 0.00 2.33 9.65 -1.47 -3.39 114.38 121.66 3g3e h ARG 22 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3g3e h ARG 22 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3g3e h ARG 22 CO -0.31 0.00 -0.15 0.66 2.80 0.00 0.00 179.97 182.97 3g3e n TYR 23 N -2.87 0.00 0.25 2.20 4.01 -1.04 -4.73 117.16 114.98 3g3e n TYR 23 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 3g3e n TYR 23 Cb 0.54 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.19 3g3e n TYR 23 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3g3e h HIS 24 N 0.00 0.00 0.00 -0.72 2.07 -1.61 0.08 115.15 114.98 3g3e h HIS 24 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g3e h HIS 24 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3g3e h HIS 24 CO 0.00 0.06 -0.04 -1.13 -3.07 0.00 0.00 177.93 173.75 3g3e n SER 25 N -4.39 0.48 -0.07 3.10 3.41 -1.26 -3.74 113.62 111.15 3g3e n SER 25 Ca -0.03 0.51 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 3g3e n SER 25 Cb 0.14 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 3g3e n SER 25 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g3e n VAL 26 N -1.93 0.01 -4.74 -3.33 0.24 -0.09 -4.99 118.33 103.50 3g3e n VAL 26 Ca 0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.53 3g3e n VAL 26 Cb 0.39 1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 33.65 3g3e n VAL 26 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3e s LEU 27 N -0.15 2.79 0.00 1.34 1.43 -0.58 -4.88 118.68 118.64 3g3e s LEU 27 Ca 0.02 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3g3e s LEU 27 Cb 0.01 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3g3e s LEU 27 CO 0.02 0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.78 3g3e n GLN 28 N 3.45 0.00 -4.28 1.70 3.00 -1.26 -3.62 117.38 116.37 3g3e n GLN 28 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 3g3e n GLN 28 Cb 0.53 -0.41 -0.10 0.00 0.00 0.00 0.00 30.24 30.26 3g3e n GLN 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3g3e s PRO 29 N 0.00 3.37 -0.47 -1.09 0.04 -1.26 -4.94 135.00 130.65 3g3e s PRO 29 Ca 0.00 -0.40 -0.12 0.00 0.04 0.00 0.00 61.00 60.51 3g3e s PRO 29 Cb 0.00 -2.93 0.10 0.00 0.04 0.00 0.00 34.50 31.71 3g3e s PRO 29 CO 0.00 0.52 0.37 -1.17 0.04 0.00 0.00 177.00 176.75 3g3e s LEU 30 N -0.35 5.61 -0.38 -3.56 2.96 -1.24 0.56 118.68 122.29 3g3e s LEU 30 Ca 0.07 -1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 52.24 3g3e s LEU 30 Cb -0.12 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3g3e s LEU 30 CO 0.02 -0.67 0.34 -0.62 -1.32 0.00 0.00 176.35 174.10 3g3e s ASP 31 N 2.68 6.14 -0.14 3.68 -1.08 0.32 -4.90 116.67 123.37 3g3e s ASP 31 Ca 0.04 -0.54 0.02 0.00 -0.52 0.00 0.00 52.55 51.55 3g3e s ASP 31 Cb -0.25 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.03 3g3e s ASP 31 CO 0.03 -0.40 -0.20 -0.63 0.52 0.00 0.00 175.17 174.49 3g3e s ILE 32 N 1.90 2.24 -0.00 4.11 1.01 -1.26 0.12 121.20 129.32 3g3e s ILE 32 Ca 0.09 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3g3e s ILE 32 Cb -0.17 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3g3e s ILE 32 CO 0.11 0.54 -0.20 -0.54 0.00 0.00 0.00 174.94 174.86 3g3e s LYS 33 N 0.74 1.53 -0.25 2.79 1.02 -0.54 -2.91 119.74 122.12 3g3e s LYS 33 Ca -0.08 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 3g3e s LYS 33 Cb -0.16 -1.51 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 3g3e s LYS 33 CO 0.00 0.41 0.07 0.08 -0.92 0.00 0.00 175.35 174.99 3g3e s VAL 34 N -0.54 4.33 -0.22 3.17 1.01 0.57 -0.89 120.40 127.84 3g3e s VAL 34 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3g3e s VAL 34 Cb -0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3g3e s VAL 34 CO -0.00 0.34 0.05 -0.31 0.00 0.00 0.00 175.10 175.18 3g3e s TYR 35 N 1.56 3.12 -0.07 5.22 2.02 0.13 -0.45 117.35 128.87 3g3e s TYR 35 Ca 0.06 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 3g3e s TYR 35 Cb -0.15 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3g3e s TYR 35 CO 0.04 -0.17 0.31 0.00 -1.57 0.00 0.00 175.55 174.16 3g3e s ALA 36 N 1.09 -0.79 0.02 3.71 0.00 -0.68 -0.43 121.76 124.68 3g3e s ALA 36 Ca 0.04 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.72 3g3e s ALA 36 Cb -0.14 -0.23 -0.20 0.00 0.00 0.00 0.00 23.12 22.54 3g3e s ALA 36 CO 0.03 -0.21 1.01 0.38 0.00 0.00 0.00 175.76 176.97 3g3e h ASP 37 N 4.76 0.00 -3.97 0.00 2.03 -1.82 -1.35 116.42 116.08 3g3e h ASP 37 Ca -0.28 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.42 3g3e h ASP 37 Cb 1.18 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.37 3g3e h ASP 37 CO 0.35 0.95 -0.85 -0.13 -1.03 0.00 0.00 179.24 178.53 3g3e s ARG 38 N -2.69 1.96 0.41 4.15 0.52 -1.26 -4.68 118.95 117.36 3g3e s ARG 38 Ca -0.01 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 3g3e s ARG 38 Cb 0.09 -1.70 -0.05 0.00 0.52 0.00 0.00 34.95 33.81 3g3e s ARG 38 CO 0.82 0.29 0.20 -0.06 0.02 0.00 0.00 175.30 176.57 3g3e s PHE 39 N -0.06 2.62 0.00 -0.53 0.08 -1.26 -4.56 117.98 114.27 3g3e s PHE 39 Ca -0.03 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.45 3g3e s PHE 39 Cb -0.12 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 3g3e s PHE 39 CO 0.02 0.16 0.00 2.41 -0.10 0.00 0.00 175.22 177.71 3g3e n THR 40 N -1.27 0.00 -0.62 0.64 -1.04 -1.26 -1.20 114.28 109.53 3g3e n THR 40 Ca -0.01 0.00 0.48 0.00 -2.04 0.00 0.00 64.05 62.48 3g3e n THR 40 Cb 0.64 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.91 3g3e n THR 40 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3g3e n PRO 41 N 0.00 -0.01 -0.60 -2.82 -0.02 -1.26 0.74 135.00 131.02 3g3e n PRO 41 Ca 0.00 1.09 0.10 0.00 -2.02 0.00 0.00 63.50 62.67 3g3e n PRO 41 Cb 0.00 -2.40 0.36 0.00 -0.02 0.00 0.00 33.50 31.44 3g3e n PRO 41 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g3e n LEU 42 N -4.06 4.74 -4.96 2.45 4.77 -0.34 -4.81 117.00 114.77 3g3e n LEU 42 Ca 0.42 -2.39 -0.22 0.00 -0.03 0.00 0.00 56.01 53.79 3g3e n LEU 42 Cb 1.83 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 42.32 3g3e n LEU 42 CO 0.36 0.83 0.04 0.42 -1.33 0.00 0.00 177.39 177.72 3g3e s THR 43 N -1.77 4.99 0.45 -5.08 -4.23 0.23 -4.83 115.64 105.40 3g3e s THR 43 Ca 0.52 -0.83 0.17 0.00 -1.18 0.00 0.00 61.69 60.37 3g3e s THR 43 Cb 0.33 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.74 3g3e s THR 43 CO 0.26 -0.36 1.96 0.74 -0.54 0.00 0.00 174.62 176.67 3g3e h THR 44 N 0.99 0.81 0.00 3.99 2.02 -1.93 -0.65 112.91 118.14 3g3e h THR 44 Ca -0.50 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 3g3e h THR 44 Cb 1.23 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3g3e h THR 44 CO 0.60 0.06 -0.31 0.74 0.37 0.00 0.00 175.52 176.97 3g3e h THR 45 N 0.32 1.18 -0.00 3.16 2.02 -1.92 -2.32 112.91 115.35 3g3e h THR 45 Ca 0.31 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3g3e h THR 45 Cb 0.78 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3g3e h THR 45 CO -0.08 0.31 -0.04 0.47 0.37 0.00 0.00 175.52 176.55 3g3e n ASP 46 N -4.10 0.04 0.05 4.18 9.92 -0.25 -3.20 116.55 123.19 3g3e n ASP 46 Ca -0.02 0.41 0.07 0.00 -0.53 0.00 0.00 54.79 54.71 3g3e n ASP 46 Cb 0.36 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.35 3g3e n ASP 46 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3g3e n VAL 47 N -1.49 0.75 -2.09 2.53 0.31 -0.89 -4.61 118.33 112.84 3g3e n VAL 47 Ca 0.07 -0.60 -0.38 0.00 -0.01 0.00 0.00 64.34 63.42 3g3e n VAL 47 Cb 0.33 -0.43 0.01 0.00 -0.91 0.00 0.00 33.84 32.84 3g3e n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g3e s ALA 48 N -3.20 2.98 0.01 3.52 0.00 -1.13 -4.94 121.76 118.99 3g3e s ALA 48 Ca -0.03 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3g3e s ALA 48 Cb 0.10 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 3g3e s ALA 48 CO 0.82 -0.88 1.19 0.00 0.00 0.00 0.00 175.76 176.88 3g3e h ALA 49 N 2.00 0.13 0.00 0.00 0.00 -1.92 -3.41 119.26 116.07 3g3e h ALA 49 Ca -0.50 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3g3e h ALA 49 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3g3e h ALA 49 CO 0.60 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3g3e n GLY 50 N 0.70 1.39 3.72 0.00 0.00 -1.26 -4.37 105.19 105.37 3g3e n GLY 50 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3g3e n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 51 N 0.00 4.40 -0.43 0.99 2.96 -1.26 -0.52 118.68 124.82 3g3e s LEU 51 Ca 0.00 1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 55.49 3g3e s LEU 51 Cb 0.00 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.13 3g3e s LEU 51 CO 0.00 -0.30 1.27 0.86 -1.32 0.00 0.00 176.35 176.86 3g3e s TRP 52 N 0.70 2.62 -0.30 5.38 -0.00 0.57 -4.60 118.94 123.31 3g3e s TRP 52 Ca 0.53 0.72 -0.10 0.00 -0.00 0.00 0.00 56.10 57.25 3g3e s TRP 52 Cb -0.26 -4.33 0.15 0.00 -0.00 0.00 0.00 33.47 29.04 3g3e s TRP 52 CO 0.30 -1.61 0.76 -1.14 -0.00 0.00 0.00 176.95 175.26 3g3e s GLN 53 N 4.64 0.47 0.95 5.86 0.74 -1.26 -4.61 119.66 126.46 3g3e s GLN 53 Ca 0.54 1.10 -0.13 0.00 0.05 0.00 0.00 55.36 56.92 3g3e s GLN 53 Cb -0.11 0.65 0.16 0.00 1.10 0.00 0.00 33.01 34.82 3g3e s GLN 53 CO 0.31 -0.26 1.15 -2.14 -0.55 0.00 0.00 175.29 173.80 3g3e s PRO 54 N 2.78 0.79 0.74 1.67 0.02 -1.26 -4.89 135.00 134.85 3g3e s PRO 54 Ca 0.01 0.21 -0.16 0.00 0.02 0.00 0.00 61.00 61.08 3g3e s PRO 54 Cb -0.11 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 3g3e s PRO 54 CO -0.18 -2.42 0.63 0.66 -0.33 0.00 0.00 177.00 175.36 3g3e n TYR 55 N -3.90 -0.48 -0.14 6.54 4.02 -1.26 -4.92 117.16 117.02 3g3e n TYR 55 Ca 0.08 0.35 -0.11 0.00 -0.01 0.00 0.00 57.90 58.21 3g3e n TYR 55 Cb 0.59 -1.94 -0.01 0.00 -0.02 0.00 0.00 39.34 37.95 3g3e n TYR 55 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3g3e h LEU 56 N -0.47 0.80 -9.70 7.72 3.38 -2.00 -3.46 115.31 111.57 3g3e h LEU 56 Ca -0.46 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 56.56 3g3e h LEU 56 Cb 1.34 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 3g3e h LEU 56 CO 0.43 0.98 -0.59 -0.94 0.09 0.00 0.00 178.44 178.41 3g3e s SER 57 N -6.41 5.38 -0.23 -0.43 1.04 -1.26 -3.48 113.70 108.32 3g3e s SER 57 Ca -0.12 -0.17 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 3g3e s SER 57 Cb 0.10 -1.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.78 3g3e s SER 57 CO 0.82 0.08 2.17 0.47 0.98 0.00 0.00 173.24 177.76 3g3e n ASP 58 N -0.22 3.01 -3.10 7.02 8.00 -1.26 -4.96 116.55 125.03 3g3e n ASP 58 Ca -0.09 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3g3e n ASP 58 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3g3e n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3g3e n PRO 59 N 8.32 0.07 0.00 -0.24 -0.04 -1.26 -5.01 135.00 136.84 3g3e n PRO 59 Ca 0.32 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 3g3e n PRO 59 Cb 0.37 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.75 3g3e n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3g3e h ASN 60 N -0.49 -0.10 -3.69 3.54 2.35 -1.93 -3.41 115.58 111.86 3g3e h ASN 60 Ca 0.00 -0.46 -0.67 0.00 -0.55 0.00 0.00 56.30 54.62 3g3e h ASN 60 Cb 0.00 0.03 -0.18 0.00 0.05 0.00 0.00 38.32 38.22 3g3e h ASN 60 CO 0.00 0.56 -0.37 0.21 -1.65 0.00 0.00 177.43 176.18 3g3e s ASN 61 N -5.69 6.13 0.00 5.81 2.47 -1.26 -4.93 114.94 117.47 3g3e s ASN 61 Ca -0.12 -0.31 0.18 0.00 0.42 0.00 0.00 52.86 53.03 3g3e s ASN 61 Cb -0.01 -2.17 0.96 0.00 -1.45 0.00 0.00 41.25 38.58 3g3e s ASN 61 CO 0.45 -0.29 1.64 -0.81 -3.72 0.00 0.00 177.10 174.36 3g3e n PRO 62 N 5.26 1.20 0.20 0.43 -0.04 -1.26 -2.72 135.00 138.07 3g3e n PRO 62 Ca -0.11 -0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.18 3g3e n PRO 62 Cb 0.50 -1.31 0.40 0.00 -0.04 0.00 0.00 33.50 33.05 3g3e n PRO 62 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3g3e h GLN 63 N 0.62 0.00 -0.05 0.54 4.15 -1.97 -3.01 115.11 115.39 3g3e h GLN 63 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 3g3e h GLN 63 Cb 0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3g3e h GLN 63 CO 0.00 0.00 -0.75 0.93 -1.93 0.00 0.00 178.83 177.08 3g3e h GLU 64 N 0.00 0.30 -0.21 1.69 5.08 -1.95 -1.99 114.58 117.50 3g3e h GLU 64 Ca 0.00 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 3g3e h GLU 64 Cb 0.73 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3g3e h GLU 64 CO 0.00 0.92 -0.07 0.00 -1.00 0.00 0.00 179.01 178.86 3g3e h ALA 65 N 1.00 1.50 0.08 3.43 0.00 -1.72 0.07 119.26 123.61 3g3e h ALA 65 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 3g3e h ALA 65 Cb 1.32 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 19.04 3g3e h ALA 65 CO 0.12 0.36 -1.15 -0.44 0.00 0.00 0.00 179.25 178.14 3g3e h ASP 66 N 0.31 0.88 -0.38 0.00 3.32 -1.54 -2.41 116.42 116.60 3g3e h ASP 66 Ca 0.07 -0.79 -0.09 0.00 0.02 0.00 0.00 57.03 56.23 3g3e h ASP 66 Cb 0.33 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3g3e h ASP 66 CO 0.02 1.57 -0.08 -0.50 -1.72 0.00 0.00 179.24 178.53 3g3e h TRP 67 N 0.29 0.89 -0.41 4.55 6.55 -1.08 -0.45 115.95 126.29 3g3e h TRP 67 Ca -0.17 -0.16 -0.11 0.00 0.95 0.00 0.00 58.89 59.41 3g3e h TRP 67 Cb 1.82 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 29.87 3g3e h TRP 67 CO 0.11 0.86 -0.18 0.77 -1.05 0.00 0.00 178.44 178.96 3g3e h SER 68 N 0.74 0.78 0.12 -3.49 0.02 -1.01 -2.66 113.55 108.04 3g3e h SER 68 Ca 0.13 -0.26 -0.24 0.00 -0.84 0.00 0.00 61.79 60.58 3g3e h SER 68 Cb 0.57 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.91 3g3e h SER 68 CO 0.03 0.95 -0.96 -0.61 -1.14 0.00 0.00 176.83 175.10 3g3e h GLN 69 N 0.68 0.59 -0.05 3.45 4.15 -1.23 -1.14 115.11 121.57 3g3e h GLN 69 Ca 0.10 -0.61 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3g3e h GLN 69 Cb 0.67 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 3g3e h GLN 69 CO 0.05 1.22 -0.01 1.96 -1.93 0.00 0.00 178.83 180.12 3g3e h GLN 70 N 0.35 0.07 0.03 1.69 4.20 -1.09 0.17 115.11 120.53 3g3e h GLN 70 Ca -0.10 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 3g3e h GLN 70 Cb 1.60 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.38 3g3e h GLN 70 CO 0.18 0.09 -0.54 1.15 -0.67 0.00 0.00 178.83 179.04 3g3e h THR 71 N 0.07 1.49 0.03 -0.54 2.02 -1.21 -1.69 112.91 113.08 3g3e h THR 71 Ca 0.02 -2.16 0.03 0.00 0.77 0.00 0.00 66.41 65.06 3g3e h THR 71 Cb 0.07 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.24 3g3e h THR 71 CO 0.00 0.61 -0.23 0.15 0.37 0.00 0.00 175.52 176.42 3g3e h PHE 72 N -0.29 -0.62 -0.66 3.16 3.57 -0.71 -0.12 116.94 121.26 3g3e h PHE 72 Ca -0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.47 3g3e h PHE 72 Cb 1.30 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 3g3e h PHE 72 CO 0.17 -0.33 0.42 -0.44 -2.23 0.00 0.00 178.31 175.90 3g3e h ASP 73 N -0.38 0.69 -0.61 0.41 3.32 -1.02 0.21 116.42 119.04 3g3e h ASP 73 Ca 0.05 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3g3e h ASP 73 Cb 0.45 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3g3e h ASP 73 CO -0.19 0.48 0.20 0.22 -1.72 0.00 0.00 179.24 178.24 3g3e h TYR 74 N 0.82 0.97 -0.27 4.55 3.20 -0.93 -2.53 116.97 122.78 3g3e h TYR 74 Ca 0.26 -0.09 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 3g3e h TYR 74 Cb -0.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3g3e h TYR 74 CO -0.04 0.79 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.72 3g3e h LEU 75 N 0.86 0.90 -1.45 2.82 3.38 -0.33 -2.97 115.31 118.53 3g3e h LEU 75 Ca 0.20 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3g3e h LEU 75 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3g3e h LEU 75 CO -0.01 1.26 0.31 0.25 0.09 0.00 0.00 178.44 180.34 3g3e h LEU 76 N 0.57 0.60 0.00 1.67 6.46 -0.95 -0.28 115.31 123.37 3g3e h LEU 76 Ca 0.02 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3g3e h LEU 76 Cb 1.09 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3g3e h LEU 76 CO 0.11 0.46 0.00 -1.54 -0.62 0.00 0.00 178.44 176.85 3g3e n SER 77 N -4.44 0.00 0.00 1.25 3.41 -0.96 -2.46 113.62 110.42 3g3e n SER 77 Ca 0.04 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3g3e n SER 77 Cb 0.07 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3g3e n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g3e n HIS 78 N -1.21 0.00 0.22 7.33 8.25 -0.20 -4.76 115.22 124.84 3g3e n HIS 78 Ca 0.13 -0.37 0.05 0.00 -0.26 0.00 0.00 57.72 57.28 3g3e n HIS 78 Cb 0.17 -0.04 0.50 0.00 1.12 0.00 0.00 29.99 31.74 3g3e n HIS 78 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g3e h VAL 79 N 0.59 1.11 -0.27 1.59 3.04 -1.00 -2.46 116.25 118.85 3g3e h VAL 79 Ca 0.00 -0.70 -0.07 0.00 -1.01 0.00 0.00 66.70 64.91 3g3e h VAL 79 Cb 0.56 1.38 -0.04 0.00 -2.01 0.00 0.00 31.29 31.18 3g3e h VAL 79 CO 0.00 0.20 -0.04 1.41 -1.01 0.00 0.00 177.57 178.13 3g3e n HIS 80 N -4.25 0.89 -3.70 3.17 8.25 -1.26 -4.85 115.22 113.47 3g3e n HIS 80 Ca -0.02 -1.19 -0.37 0.00 -0.26 0.00 0.00 57.72 55.87 3g3e n HIS 80 Cb 0.26 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 3g3e n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3g3e s SER 81 N -2.30 6.57 -1.14 0.41 1.04 -0.93 -4.99 113.70 112.36 3g3e s SER 81 Ca 0.42 0.68 -0.22 0.00 0.48 0.00 0.00 55.95 57.31 3g3e s SER 81 Cb 0.36 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.28 3g3e s SER 81 CO 0.04 0.36 1.88 -2.84 0.98 0.00 0.00 173.24 173.66 3g3e s PRO 82 N -0.97 2.80 0.00 4.02 0.02 -1.26 -0.84 135.00 138.77 3g3e s PRO 82 Ca 0.19 -1.12 0.00 0.00 0.02 0.00 0.00 61.00 60.09 3g3e s PRO 82 Cb -0.14 -5.26 0.00 0.00 0.02 0.00 0.00 34.50 29.12 3g3e s PRO 82 CO 0.08 -3.49 0.00 0.09 -0.33 0.00 0.00 177.00 173.35 3g3e n ASN 83 N 13.06 0.00 -0.28 2.53 4.13 -1.26 -4.99 115.26 128.45 3g3e n ASN 83 Ca 0.44 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.66 3g3e n ASN 83 Cb 0.47 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.79 3g3e n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3e h ALA 84 N 0.00 0.99 0.00 5.41 0.00 -1.21 -0.46 119.26 124.00 3g3e h ALA 84 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3g3e h ALA 84 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3g3e h ALA 84 CO 0.00 0.34 -0.17 1.05 0.00 0.00 0.00 179.25 180.47 3g3e h GLU 85 N 0.99 0.00 -0.10 0.00 4.11 -1.82 -0.59 114.58 117.18 3g3e h GLU 85 Ca 0.30 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.59 3g3e h GLU 85 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3g3e h GLU 85 CO -0.09 0.17 -0.53 -0.91 0.07 0.00 0.00 179.01 177.71 3g3e h ASN 86 N 0.00 0.30 0.45 3.06 4.21 -1.49 -2.79 115.58 119.32 3g3e h ASN 86 Ca -0.00 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.35 3g3e h ASN 86 Cb 0.61 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3g3e h ASN 86 CO 0.02 0.78 -0.32 0.00 -1.29 0.00 0.00 177.43 176.62 3g3e n LEU 87 N -3.93 0.60 -1.27 1.61 -0.00 -0.74 -4.43 117.00 108.84 3g3e n LEU 87 Ca -0.02 -0.03 -0.07 0.00 -0.00 0.00 0.00 56.01 55.89 3g3e n LEU 87 Cb 0.57 -0.23 0.02 0.00 -0.00 0.00 0.00 43.42 43.78 3g3e n LEU 87 CO 0.44 0.13 0.03 0.61 -0.00 0.00 0.00 177.39 178.60 3g3e n GLY 88 N 1.42 0.39 3.39 1.47 0.00 -0.33 -2.09 105.19 109.43 3g3e n GLY 88 Ca 0.09 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 3g3e n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 89 N -2.67 3.19 0.20 0.99 2.96 -0.60 -0.92 118.68 121.83 3g3e s LEU 89 Ca 0.13 -0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3g3e s LEU 89 Cb -0.06 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.80 3g3e s LEU 89 CO 0.17 -0.02 0.42 0.72 -1.32 0.00 0.00 176.35 176.32 3g3e s PHE 90 N 1.49 0.21 0.08 5.38 -0.12 -0.48 -4.62 117.98 119.93 3g3e s PHE 90 Ca 0.06 -0.57 -0.17 0.00 -0.05 0.00 0.00 56.93 56.20 3g3e s PHE 90 Cb -0.15 0.17 -0.07 0.00 -0.63 0.00 0.00 43.02 42.35 3g3e s PHE 90 CO 0.01 -0.87 0.53 -1.17 -0.05 0.00 0.00 175.22 173.67 3g3e s LEU 91 N -2.95 4.45 -0.21 -1.99 2.96 -1.26 -0.82 118.68 118.86 3g3e s LEU 91 Ca 0.16 1.14 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 3g3e s LEU 91 Cb 0.01 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.79 3g3e s LEU 91 CO 0.02 0.23 0.53 -0.51 -1.32 0.00 0.00 176.35 175.30 3g3e s ILE 92 N -1.23 -0.01 0.31 6.68 2.07 -0.52 -4.90 121.20 123.60 3g3e s ILE 92 Ca 0.31 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.65 3g3e s ILE 92 Cb -0.17 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 3g3e s ILE 92 CO 0.18 0.01 0.38 -0.44 -1.91 0.00 0.00 174.94 173.17 3g3e s SER 93 N 1.06 5.79 0.00 4.50 0.01 -1.26 -1.89 113.70 121.92 3g3e s SER 93 Ca -0.06 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.96 3g3e s SER 93 Cb -0.06 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.91 3g3e s SER 93 CO -0.10 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.84 3g3e n GLY 94 N -1.49 -1.19 3.51 3.44 0.00 -0.59 -1.84 105.19 107.03 3g3e n GLY 94 Ca -0.03 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 3g3e n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3e s TYR 95 N -3.00 2.76 -0.20 1.61 1.51 0.75 -2.46 117.35 118.32 3g3e s TYR 95 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 3g3e s TYR 95 Cb 0.00 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3g3e s TYR 95 CO 0.00 0.23 -0.12 -0.80 -1.11 0.00 0.00 175.55 173.75 3g3e s ASN 96 N -0.80 3.73 -0.13 2.29 0.01 -0.79 -0.44 114.94 118.82 3g3e s ASN 96 Ca 0.12 -0.51 -0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3g3e s ASN 96 Cb -0.11 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.93 3g3e s ASN 96 CO 0.01 -0.00 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.72 3g3e s LEU 97 N 1.35 2.80 0.24 0.60 1.43 0.07 -0.54 118.68 124.63 3g3e s LEU 97 Ca 0.05 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 3g3e s LEU 97 Cb -0.14 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3g3e s LEU 97 CO -0.08 0.18 -0.18 -0.36 0.23 0.00 0.00 176.35 176.15 3g3e s PHE 98 N 0.26 2.03 -0.12 0.29 0.40 0.12 -0.39 117.98 120.57 3g3e s PHE 98 Ca -0.08 -0.44 0.14 0.00 -0.60 0.00 0.00 56.93 55.95 3g3e s PHE 98 Cb -0.15 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.51 3g3e s PHE 98 CO 0.05 0.54 1.43 0.45 0.70 0.00 0.00 175.22 178.39 3g3e h HIS 99 N 2.51 0.00 -4.06 0.36 3.86 -1.83 -1.88 115.15 114.10 3g3e h HIS 99 Ca -0.40 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.54 3g3e h HIS 99 Cb 1.24 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.64 3g3e h HIS 99 CO 0.76 0.56 -0.15 -1.83 0.86 0.00 0.00 177.93 178.13 3g3e s GLU 100 N -2.95 1.99 0.75 2.45 -1.05 -1.26 -4.06 118.70 114.57 3g3e s GLU 100 Ca 0.04 -1.78 -0.13 0.00 -0.15 0.00 0.00 54.97 52.95 3g3e s GLU 100 Cb 0.08 0.46 0.05 0.00 -0.44 0.00 0.00 34.13 34.28 3g3e s GLU 100 CO 0.75 -0.83 1.14 0.00 0.95 0.00 0.00 175.26 177.27 3g3e s ALA 101 N -2.89 2.14 0.13 -0.84 0.00 -1.26 -4.75 121.76 114.28 3g3e s ALA 101 Ca 0.30 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 3g3e s ALA 101 Cb -0.01 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.79 3g3e s ALA 101 CO 0.21 -1.83 0.51 -1.50 0.00 0.00 0.00 175.76 173.14 3g3e s ILE 102 N -2.41 0.03 0.42 0.00 2.07 -1.26 -5.15 121.20 114.89 3g3e s ILE 102 Ca 0.68 -0.27 -0.24 0.00 -1.41 0.00 0.00 60.65 59.40 3g3e s ILE 102 Cb -0.23 -1.07 -0.08 0.00 0.13 0.00 0.00 42.46 41.21 3g3e s ILE 102 CO 0.49 -0.15 1.13 -2.84 -1.91 0.00 0.00 174.94 171.66 3g3e s PRO 103 N -3.58 4.00 0.44 3.50 0.02 -1.26 -4.98 135.00 133.13 3g3e s PRO 103 Ca 0.01 1.72 -0.23 0.00 0.02 0.00 0.00 61.00 62.52 3g3e s PRO 103 Cb 0.00 -2.56 -0.11 0.00 0.02 0.00 0.00 34.50 31.86 3g3e s PRO 103 CO -0.11 -0.34 0.74 -0.25 -0.33 0.00 0.00 177.00 176.71 3g3e n ASP 104 N -0.14 -0.03 -4.81 2.53 8.00 -1.26 -4.93 116.55 115.91 3g3e n ASP 104 Ca 0.05 0.94 -0.31 0.00 0.71 0.00 0.00 54.79 56.18 3g3e n ASP 104 Cb 0.48 -1.22 0.05 0.00 -0.02 0.00 0.00 41.12 40.41 3g3e n ASP 104 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3g3e s PRO 105 N -1.84 2.88 0.26 -0.24 0.04 -1.26 -4.92 135.00 129.92 3g3e s PRO 105 Ca 0.64 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 3g3e s PRO 105 Cb -0.57 -1.98 0.45 0.00 0.04 0.00 0.00 34.50 32.44 3g3e s PRO 105 CO 0.57 -1.15 1.83 0.66 0.04 0.00 0.00 177.00 178.95 3g3e h SER 106 N -0.72 0.81 -0.10 6.66 4.64 -1.90 -2.20 113.55 120.75 3g3e h SER 106 Ca -0.44 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3g3e h SER 106 Cb 1.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3g3e h SER 106 CO 0.56 0.46 0.00 -2.67 -0.87 0.00 0.00 176.83 174.31 3g3e n TRP 107 N -4.67 0.34 0.24 4.77 4.27 -1.26 -4.21 117.44 116.91 3g3e n TRP 107 Ca 0.15 -0.12 0.10 0.00 -3.89 0.00 0.00 57.50 53.74 3g3e n TRP 107 Cb 0.29 -0.15 0.66 0.00 -1.36 0.00 0.00 31.31 30.74 3g3e n TRP 107 CO 0.00 0.00 0.00 1.57 -2.29 0.00 0.00 177.69 176.97 3g3e h LYS 108 N 0.68 0.00 -0.00 -2.67 2.10 -1.76 -1.75 116.57 113.17 3g3e h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g3e h LYS 108 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3g3e h LYS 108 CO 0.08 0.00 -0.85 -0.25 -2.00 0.00 0.00 179.45 176.43 3g3e n ASP 109 N -4.48 0.85 0.00 7.07 8.00 -1.26 -4.16 116.55 122.57 3g3e n ASP 109 Ca -0.02 -0.77 -0.17 0.00 0.71 0.00 0.00 54.79 54.54 3g3e n ASP 109 Cb 0.14 0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 41.89 3g3e n ASP 109 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3g3e h THR 110 N 0.01 1.45 -3.99 -3.53 2.02 -1.62 -3.46 112.91 103.79 3g3e h THR 110 Ca 0.00 -2.08 -0.45 0.00 0.77 0.00 0.00 66.41 64.65 3g3e h THR 110 Cb 0.50 2.66 0.15 0.00 -1.74 0.00 0.00 68.15 69.72 3g3e h THR 110 CO 0.00 0.60 0.25 0.68 0.37 0.00 0.00 175.52 177.42 3g3e s VAL 111 N -3.15 1.93 -0.19 3.16 -7.23 -1.12 -4.97 120.40 108.82 3g3e s VAL 111 Ca -0.14 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 3g3e s VAL 111 Cb 0.03 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 3g3e s VAL 111 CO 0.81 0.00 0.27 -0.76 -0.31 0.00 0.00 175.10 175.11 3g3e s LEU 112 N -6.30 4.19 -1.34 1.32 1.02 -0.37 -4.59 118.68 112.61 3g3e s LEU 112 Ca 0.66 0.40 -0.05 0.00 0.02 0.00 0.00 54.13 55.17 3g3e s LEU 112 Cb -0.14 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.75 3g3e s LEU 112 CO 0.55 0.06 0.61 0.61 0.02 0.00 0.00 176.35 178.20 3g3e n GLY 113 N 3.71 -0.36 3.73 -3.19 0.00 -1.26 -0.25 105.19 107.57 3g3e n GLY 113 Ca -0.12 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3g3e n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g3e n PHE 114 N -4.41 2.70 -3.65 1.61 7.35 -1.26 -4.53 117.46 115.27 3g3e n PHE 114 Ca -0.08 0.32 -0.08 0.00 -0.76 0.00 0.00 57.45 56.85 3g3e n PHE 114 Cb 0.60 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 3g3e n PHE 114 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3g3e s ARG 115 N -0.70 1.34 0.34 -4.13 1.70 -0.54 -5.01 118.95 111.95 3g3e s ARG 115 Ca 0.63 -0.65 -0.25 0.00 -0.47 0.00 0.00 55.73 54.99 3g3e s ARG 115 Cb -0.53 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.27 3g3e s ARG 115 CO 0.51 -0.61 0.96 0.15 -1.08 0.00 0.00 175.30 175.23 3g3e s LYS 116 N -3.59 4.50 0.23 3.89 3.01 -1.26 -0.96 119.74 125.55 3g3e s LYS 116 Ca 0.08 1.32 -0.30 0.00 -1.01 0.00 0.00 55.97 56.06 3g3e s LYS 116 Cb -0.03 -2.70 -0.09 0.00 -1.01 0.00 0.00 37.83 34.00 3g3e s LYS 116 CO -0.02 0.20 1.37 -0.51 0.51 0.00 0.00 175.35 176.90 3g3e s LEU 117 N -2.25 4.40 0.64 3.17 1.43 0.70 -4.75 118.68 122.03 3g3e s LEU 117 Ca 0.52 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3g3e s LEU 117 Cb -0.18 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3g3e s LEU 117 CO 0.23 -0.61 1.05 0.42 0.23 0.00 0.00 176.35 177.67 3g3e s THR 118 N 0.03 4.38 0.30 5.49 -4.23 -1.26 -4.80 115.64 115.55 3g3e s THR 118 Ca 0.58 0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 61.85 3g3e s THR 118 Cb -0.39 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 69.96 3g3e s THR 118 CO 0.41 -1.01 1.95 -0.65 -0.54 0.00 0.00 174.62 174.78 3g3e h PRO 119 N -0.41 1.05 0.00 3.99 0.11 -1.98 -1.91 132.00 132.85 3g3e h PRO 119 Ca -0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3g3e h PRO 119 Cb 1.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3g3e h PRO 119 CO 0.62 0.70 -0.35 0.00 -0.21 0.00 0.00 178.00 178.76 3g3e h ARG 120 N 1.08 0.00 -0.09 1.05 3.08 -1.99 -0.63 114.38 116.88 3g3e h ARG 120 Ca 0.33 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.22 3g3e h ARG 120 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3g3e h ARG 120 CO -0.09 0.35 -0.55 0.93 -1.07 0.00 0.00 179.97 179.55 3g3e h GLU 121 N 0.00 0.53 0.00 0.04 5.08 -1.77 -3.19 114.58 115.27 3g3e h GLU 121 Ca -0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3g3e h GLU 121 Cb 0.77 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3g3e h GLU 121 CO 0.05 1.08 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.93 3g3e h LEU 122 N 0.12 0.00 -1.38 1.33 3.38 -0.67 -0.94 115.31 117.14 3g3e h LEU 122 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g3e h LEU 122 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3g3e h LEU 122 CO 0.11 0.13 0.00 0.44 0.09 0.00 0.00 178.44 179.21 3g3e h ASP 123 N 0.00 0.00 1.66 -0.43 3.32 -1.12 -1.23 116.42 118.63 3g3e h ASP 123 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3e h ASP 123 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3g3e h ASP 123 CO 0.02 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.78 3g3e h MET 124 N 0.00 0.00 -2.84 3.56 2.86 -1.27 -3.37 114.93 113.87 3g3e h MET 124 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3g3e h MET 124 Cb 0.35 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.60 3g3e h MET 124 CO 0.00 0.00 -0.70 1.19 1.06 0.00 0.00 176.91 178.46 3g3e n PHE 125 N -2.96 2.00 -0.37 -0.22 3.72 -0.46 -4.99 117.46 114.18 3g3e n PHE 125 Ca 0.03 -4.01 0.34 0.00 -0.05 0.00 0.00 57.45 53.76 3g3e n PHE 125 Cb 0.45 -0.36 0.68 0.00 -0.94 0.00 0.00 39.48 39.32 3g3e n PHE 125 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3g3e h PRO 126 N 5.41 0.11 -0.00 -1.08 0.11 -1.74 -1.29 132.00 133.52 3g3e h PRO 126 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3g3e h PRO 126 Cb 0.80 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3g3e h PRO 126 CO 0.62 0.07 -0.25 -0.25 -0.21 0.00 0.00 178.00 177.98 3g3e n ASP 127 N -4.33 0.44 -4.30 -2.05 8.00 -1.26 -4.82 116.55 108.23 3g3e n ASP 127 Ca 0.28 -0.23 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 3g3e n ASP 127 Cb 1.24 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 42.18 3g3e n ASP 127 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g3e s TYR 128 N -2.80 1.96 -0.02 1.24 1.51 -0.49 -4.82 117.35 113.93 3g3e s TYR 128 Ca 0.18 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3g3e s TYR 128 Cb 0.19 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 3g3e s TYR 128 CO 0.58 0.20 0.37 0.41 -1.11 0.00 0.00 175.55 176.00 3g3e n GLY 129 N 1.32 -0.82 3.28 0.71 0.00 -0.77 -4.85 105.19 104.06 3g3e n GLY 129 Ca -0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3g3e n GLY 129 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g3e s TYR 130 N -0.28 0.02 -2.69 1.61 5.04 -0.84 -4.92 117.35 115.29 3g3e s TYR 130 Ca 0.00 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 3g3e s TYR 130 Cb 0.00 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.41 3g3e s TYR 130 CO 0.00 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 3g3e n GLY 131 N -0.16 -2.07 3.54 8.97 0.00 -1.26 -0.70 105.19 113.51 3g3e n GLY 131 Ca -0.14 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 3g3e n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g3e s TRP 132 N -2.03 2.31 -0.01 1.61 0.51 0.30 -0.21 118.94 121.42 3g3e s TRP 132 Ca 0.00 -0.66 0.01 0.00 -2.12 0.00 0.00 56.10 53.32 3g3e s TRP 132 Cb 0.00 -1.47 0.01 0.00 -0.81 0.00 0.00 33.47 31.20 3g3e s TRP 132 CO 0.00 0.40 -0.01 0.12 -0.51 0.00 0.00 176.95 176.95 3g3e s PHE 133 N -2.81 0.22 0.26 -1.98 2.19 -0.14 -1.88 117.98 113.84 3g3e s PHE 133 Ca 0.34 -0.01 -0.22 0.00 0.33 0.00 0.00 56.93 57.37 3g3e s PHE 133 Cb 0.06 -0.23 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 3g3e s PHE 133 CO 0.16 -0.05 0.75 -3.38 1.83 0.00 0.00 175.22 174.53 3g3e s HIS 134 N 0.38 -0.19 -0.17 10.12 -3.43 -1.03 -1.47 115.29 119.50 3g3e s HIS 134 Ca -0.04 -0.25 -0.08 0.00 -0.80 0.00 0.00 55.06 53.90 3g3e s HIS 134 Cb -0.06 0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 3g3e s HIS 134 CO -0.01 -1.18 0.08 0.99 -2.00 0.00 0.00 174.74 172.62 3g3e s THR 135 N -3.83 4.95 0.00 -5.38 2.01 0.66 -1.55 115.64 112.50 3g3e s THR 135 Ca 0.11 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.13 3g3e s THR 135 Cb -0.05 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3g3e s THR 135 CO 0.06 0.48 0.00 -0.24 -0.69 0.00 0.00 174.62 174.23 3g3e n SER 136 N 3.31 0.44 -4.08 3.53 2.88 -0.79 -1.24 113.62 117.67 3g3e n SER 136 Ca -0.17 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 3g3e n SER 136 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 3g3e n SER 136 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3g3e s LEU 137 N 0.00 2.18 -0.06 2.46 1.43 -1.26 -1.44 118.68 121.99 3g3e s LEU 137 Ca 0.00 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3g3e s LEU 137 Cb 0.00 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 3g3e s LEU 137 CO 0.00 -0.06 -0.22 -0.63 0.23 0.00 0.00 176.35 175.67 3g3e s ILE 138 N -0.96 1.83 -0.27 -0.59 1.01 0.00 -0.32 121.20 121.90 3g3e s ILE 138 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3g3e s ILE 138 Cb -0.08 -1.56 0.07 0.00 0.01 0.00 0.00 42.46 40.90 3g3e s ILE 138 CO 0.01 0.51 -0.07 -0.22 0.00 0.00 0.00 174.94 175.17 3g3e s LEU 139 N 0.02 3.46 -0.25 2.97 2.96 0.32 -1.38 118.68 126.77 3g3e s LEU 139 Ca -0.07 -1.48 -0.26 0.00 -0.22 0.00 0.00 54.13 52.10 3g3e s LEU 139 Cb -0.14 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3g3e s LEU 139 CO 0.04 -0.24 0.91 -1.61 -1.32 0.00 0.00 176.35 174.14 3g3e s GLU 140 N 1.14 4.17 0.23 1.98 2.02 -0.09 -4.19 118.70 123.95 3g3e s GLU 140 Ca -0.05 1.05 -0.07 0.00 0.02 0.00 0.00 54.97 55.92 3g3e s GLU 140 Cb -0.20 -3.66 0.31 0.00 0.10 0.00 0.00 34.13 30.69 3g3e s GLU 140 CO -0.06 -0.60 1.82 0.78 0.02 0.00 0.00 175.26 177.21 3g3e h GLY 141 N 9.38 1.15 0.66 -1.39 0.00 -1.79 0.28 103.07 111.35 3g3e h GLY 141 Ca -0.22 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 46.87 3g3e h GLY 141 CO 0.92 0.17 0.33 1.70 0.00 0.00 0.00 176.54 179.67 3g3e h LYS 142 N 0.79 0.60 0.11 4.80 3.64 -1.82 -0.24 116.57 124.45 3g3e h LYS 142 Ca 0.35 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3g3e h LYS 142 Cb 0.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3g3e h LYS 142 CO -0.20 0.40 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.41 3g3e h ASN 143 N 0.62 -0.12 -0.73 4.20 2.35 -1.44 -3.09 115.58 117.37 3g3e h ASN 143 Ca 0.29 -0.43 0.14 0.00 -0.55 0.00 0.00 56.30 55.75 3g3e h ASN 143 Cb 0.20 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.46 3g3e h ASN 143 CO -0.19 0.50 -0.20 0.22 -1.65 0.00 0.00 177.43 176.11 3g3e h TYR 144 N -0.89 -0.44 -0.99 1.19 3.20 -0.44 0.12 116.97 118.72 3g3e h TYR 144 Ca -0.01 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3g3e h TYR 144 Cb 0.55 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3g3e h TYR 144 CO 0.11 -0.32 0.65 -0.07 -1.64 0.00 0.00 178.16 176.89 3g3e h LEU 145 N -0.01 1.12 -0.36 2.82 4.07 -1.12 0.31 115.31 122.14 3g3e h LEU 145 Ca 0.34 -0.03 -0.16 0.00 0.08 0.00 0.00 57.88 58.12 3g3e h LEU 145 Cb 0.54 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 3g3e h LEU 145 CO -0.75 0.81 -0.41 -0.61 -1.08 0.00 0.00 178.44 176.40 3g3e h GLN 146 N 1.32 0.91 0.24 1.13 4.15 -1.15 -0.30 115.11 121.41 3g3e h GLN 146 Ca 0.37 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3g3e h GLN 146 Cb -0.13 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3g3e h GLN 146 CO -0.09 1.15 -0.16 2.35 -1.93 0.00 0.00 178.83 180.15 3g3e h TRP 147 N 0.72 -0.41 -0.84 3.99 2.91 -0.13 -2.04 115.95 120.15 3g3e h TRP 147 Ca 0.05 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.14 3g3e h TRP 147 Cb 1.00 0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 29.73 3g3e h TRP 147 CO 0.07 -0.25 0.50 -0.07 -1.03 0.00 0.00 178.44 177.66 3g3e h LEU 148 N -0.39 0.76 -0.74 0.65 3.38 -0.24 -1.58 115.31 117.14 3g3e h LEU 148 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3g3e h LEU 148 Cb 0.33 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3g3e h LEU 148 CO 0.01 0.46 0.42 0.74 0.09 0.00 0.00 178.44 180.16 3g3e h THR 149 N 0.88 1.22 -0.54 0.22 2.02 -0.81 -0.63 112.91 115.28 3g3e h THR 149 Ca 0.38 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3g3e h THR 149 Cb 0.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3g3e h THR 149 CO -0.21 0.24 0.11 -0.33 0.37 0.00 0.00 175.52 175.71 3g3e h GLU 150 N 1.02 0.88 -0.04 6.66 5.08 -0.91 0.33 114.58 127.60 3g3e h GLU 150 Ca 0.26 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g3e h GLU 150 Cb 0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3g3e h GLU 150 CO -0.04 0.84 0.02 0.00 -1.00 0.00 0.00 179.01 178.83 3g3e h ARG 151 N 0.77 0.06 -0.59 2.33 2.47 -0.94 -2.58 114.38 115.90 3g3e h ARG 151 Ca 0.17 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3g3e h ARG 151 Cb 0.37 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 3g3e h ARG 151 CO 0.01 0.21 0.36 -0.07 0.56 0.00 0.00 179.97 181.04 3g3e h LEU 152 N -0.09 0.70 -1.28 3.04 4.07 -1.04 -2.40 115.31 118.30 3g3e h LEU 152 Ca 0.01 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3g3e h LEU 152 Cb 0.17 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 3g3e h LEU 152 CO -0.00 0.54 0.05 0.74 -1.08 0.00 0.00 178.44 178.69 3g3e h THR 153 N 0.79 1.18 0.00 0.22 2.02 -0.83 -0.28 112.91 116.01 3g3e h THR 153 Ca 0.21 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 3g3e h THR 153 Cb -0.04 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3g3e h THR 153 CO -0.04 0.24 -0.17 -0.33 0.37 0.00 0.00 175.52 175.59 3g3e h GLU 154 N 0.53 0.00 -0.52 6.66 5.08 -1.04 -2.53 114.58 122.76 3g3e h GLU 154 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3g3e h GLU 154 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g3e h GLU 154 CO 0.00 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.72 3g3e n ARG 155 N -3.36 2.37 -0.98 2.33 5.12 -0.22 -4.88 116.66 117.05 3g3e n ARG 155 Ca -0.00 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.18 3g3e n ARG 155 Cb 0.38 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3g3e n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 156 N 1.06 0.58 3.65 -0.13 0.00 -0.95 -4.98 105.19 104.43 3g3e n GLY 156 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3g3e n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3e s VAL 157 N -2.30 4.30 0.12 1.61 1.01 -0.60 -4.87 120.40 119.65 3g3e s VAL 157 Ca 0.00 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 3g3e s VAL 157 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3g3e s VAL 157 CO 0.00 -0.24 0.56 -0.54 0.00 0.00 0.00 175.10 174.88 3g3e s LYS 158 N 3.64 4.06 -0.05 2.72 -0.14 -1.15 -4.20 119.74 124.63 3g3e s LYS 158 Ca 0.53 0.59 0.06 0.00 -1.36 0.00 0.00 55.97 55.79 3g3e s LYS 158 Cb -0.19 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 3g3e s LYS 158 CO 0.16 0.54 -0.22 -0.06 -0.76 0.00 0.00 175.35 175.00 3g3e s PHE 159 N -1.33 2.48 -0.02 3.18 0.40 -1.26 -0.31 117.98 121.12 3g3e s PHE 159 Ca 0.34 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 3g3e s PHE 159 Cb -0.17 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.79 3g3e s PHE 159 CO 0.19 -0.07 -0.05 -0.06 0.70 0.00 0.00 175.22 175.93 3g3e s PHE 160 N -0.41 0.56 -0.41 0.36 0.40 0.40 -4.95 117.98 113.93 3g3e s PHE 160 Ca 0.04 -0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.09 3g3e s PHE 160 Cb -0.12 -0.44 0.02 0.00 0.51 0.00 0.00 43.02 42.99 3g3e s PHE 160 CO 0.01 -0.08 0.36 1.14 0.70 0.00 0.00 175.22 177.36 3g3e s GLN 161 N 0.32 3.07 -0.13 0.44 1.03 -1.26 -1.69 119.66 121.44 3g3e s GLN 161 Ca -0.04 -0.87 -0.29 0.00 0.04 0.00 0.00 55.36 54.20 3g3e s GLN 161 Cb -0.07 -3.96 0.08 0.00 0.03 0.00 0.00 33.01 29.09 3g3e s GLN 161 CO -0.00 -0.77 0.77 -0.98 -2.54 0.00 0.00 175.29 171.76 3g3e s ARG 162 N 1.89 0.89 -0.31 9.60 1.70 -0.51 -4.94 118.95 127.28 3g3e s ARG 162 Ca 0.08 0.41 -0.18 0.00 -0.47 0.00 0.00 55.73 55.57 3g3e s ARG 162 Cb -0.18 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3g3e s ARG 162 CO 0.12 -0.24 0.52 0.21 -1.08 0.00 0.00 175.30 174.83 3g3e s LYS 163 N -0.76 3.84 -0.15 3.89 2.20 -1.26 -2.82 119.74 124.68 3g3e s LYS 163 Ca -0.06 0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.35 3g3e s LYS 163 Cb -0.01 -3.74 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3g3e s LYS 163 CO 0.06 -0.51 0.93 0.08 -0.36 0.00 0.00 175.35 175.54 3g3e s VAL 164 N 2.37 4.82 -0.19 4.02 1.01 -1.26 -4.94 120.40 126.23 3g3e s VAL 164 Ca 0.20 1.85 0.18 0.00 0.00 0.00 0.00 61.98 64.21 3g3e s VAL 164 Cb -0.15 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3g3e s VAL 164 CO 0.12 -0.01 1.18 -0.33 0.00 0.00 0.00 175.10 176.06 3g3e h GLU 165 N 7.25 0.00 -1.83 2.72 4.39 -1.95 -3.48 114.58 121.67 3g3e h GLU 165 Ca -0.29 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.44 3g3e h GLU 165 Cb 1.13 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.57 3g3e h GLU 165 CO 0.86 0.29 0.39 -1.54 -1.16 0.00 0.00 179.01 177.85 3g3e s SER 166 N -6.01 -0.49 0.48 1.42 1.04 -1.26 -4.83 113.70 104.04 3g3e s SER 166 Ca 0.01 0.49 0.14 0.00 0.48 0.00 0.00 55.95 57.07 3g3e s SER 166 Cb 0.08 0.41 1.14 0.00 0.10 0.00 0.00 66.02 67.75 3g3e s SER 166 CO 0.77 -0.49 2.07 -0.26 0.98 0.00 0.00 173.24 176.32 3g3e h PHE 167 N 2.68 0.21 -0.53 5.02 0.04 -1.92 -2.75 116.94 119.69 3g3e h PHE 167 Ca -0.22 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 3g3e h PHE 167 Cb 1.16 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 3g3e h PHE 167 CO 0.32 0.12 -0.07 1.49 -0.60 0.00 0.00 178.31 179.58 3g3e h GLU 168 N 0.22 0.98 -0.22 1.51 4.81 -1.96 -1.01 114.58 118.92 3g3e h GLU 168 Ca 0.12 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 3g3e h GLU 168 Cb 0.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3g3e h GLU 168 CO -0.02 1.02 -0.13 1.05 -0.73 0.00 0.00 179.01 180.20 3g3e h GLU 169 N 0.85 0.36 -0.03 1.92 4.11 -1.89 0.15 114.58 120.06 3g3e h GLU 169 Ca 0.14 -0.09 -0.20 0.00 0.07 0.00 0.00 59.36 59.28 3g3e h GLU 169 Cb 0.63 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3g3e h GLU 169 CO 0.04 0.49 -0.75 0.28 0.07 0.00 0.00 179.01 179.14 3g3e h VAL 170 N 0.34 1.35 -0.41 -1.06 2.07 -1.42 -2.84 116.25 114.29 3g3e h VAL 170 Ca 0.07 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 3g3e h VAL 170 Cb 0.43 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3g3e h VAL 170 CO 0.03 0.63 0.12 0.00 0.02 0.00 0.00 177.57 178.36 3g3e h ALA 171 N 0.39 0.53 -0.05 1.67 0.00 -0.87 -1.74 119.26 119.19 3g3e h ALA 171 Ca -0.08 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3g3e h ALA 171 Cb 1.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3g3e h ALA 171 CO 0.15 0.19 0.05 0.00 0.00 0.00 0.00 179.25 179.64 3g3e h ARG 172 N 0.51 0.00 -0.00 0.00 3.08 -0.74 0.26 114.38 117.49 3g3e h ARG 172 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3g3e h ARG 172 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3g3e h ARG 172 CO -0.00 0.00 -0.02 0.39 -1.07 0.00 0.00 179.97 179.27 3g3e n GLU 173 N -3.85 0.69 0.00 0.04 1.02 -0.66 -4.88 120.64 112.99 3g3e n GLU 173 Ca -0.02 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3g3e n GLU 173 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3g3e n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3e n GLY 174 N 1.19 1.05 3.74 0.62 0.00 0.91 -5.08 105.19 107.61 3g3e n GLY 174 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3g3e n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e s ALA 175 N -2.00 3.49 -0.10 4.61 0.00 -1.16 -4.78 121.76 121.82 3g3e s ALA 175 Ca 0.00 1.06 0.12 0.00 0.00 0.00 0.00 51.96 53.13 3g3e s ALA 175 Cb 0.00 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.43 3g3e s ALA 175 CO 0.00 -0.47 0.46 -0.25 0.00 0.00 0.00 175.76 175.50 3g3e n ASP 176 N 2.40 0.82 -3.83 0.00 10.43 0.55 -4.74 116.55 122.18 3g3e n ASP 176 Ca 0.05 0.28 -0.17 0.00 2.57 0.00 0.00 54.79 57.51 3g3e n ASP 176 Cb 0.43 0.10 -0.16 0.00 1.84 0.00 0.00 41.12 43.34 3g3e n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3g3e s VAL 177 N -2.57 0.24 -0.22 2.53 1.01 -0.98 -3.25 120.40 117.16 3g3e s VAL 177 Ca -0.09 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3g3e s VAL 177 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3g3e s VAL 177 CO 0.81 0.16 0.05 -0.63 0.00 0.00 0.00 175.10 175.49 3g3e s ILE 178 N 0.98 4.33 -0.32 2.22 1.01 -0.18 -1.00 121.20 128.23 3g3e s ILE 178 Ca -0.10 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 3g3e s ILE 178 Cb -0.14 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3g3e s ILE 178 CO -0.01 0.39 0.21 -0.69 0.00 0.00 0.00 174.94 174.84 3g3e s VAL 179 N 1.13 5.09 -0.53 2.92 1.01 0.07 -1.03 120.40 129.05 3g3e s VAL 179 Ca 0.04 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3g3e s VAL 179 Cb -0.14 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.73 3g3e s VAL 179 CO 0.03 0.04 0.60 0.21 0.00 0.00 0.00 175.10 175.98 3g3e s ASN 180 N 1.70 6.19 -0.44 3.32 3.04 0.96 -1.00 114.94 128.71 3g3e s ASN 180 Ca 0.06 -1.26 0.08 0.00 0.04 0.00 0.00 52.86 51.79 3g3e s ASN 180 Cb -0.17 -2.27 0.40 0.00 -1.54 0.00 0.00 41.25 37.67 3g3e s ASN 180 CO 0.09 -0.93 1.00 0.00 -3.04 0.00 0.00 177.10 174.23 3g3e n THR 182 N -0.26 0.12 -2.84 0.00 -2.24 -1.24 -4.29 114.28 103.53 3g3e n THR 182 Ca 0.29 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3g3e n THR 182 Cb 0.63 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3g3e n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 183 N 1.29 2.99 0.33 3.38 0.00 -1.26 -2.44 105.19 109.47 3g3e n GLY 183 Ca 0.17 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.10 3g3e n GLY 183 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3e h VAL 184 N 0.00 0.34 -0.53 1.61 3.04 -1.90 -2.14 116.25 116.67 3g3e h VAL 184 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g3e h VAL 184 Cb 0.00 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3g3e h VAL 184 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.35 3g3e n TRP 185 N -3.57 1.04 0.24 3.17 8.01 -1.02 -4.43 117.44 120.88 3g3e n TRP 185 Ca -0.01 -0.44 0.10 0.00 -1.31 0.00 0.00 57.50 55.84 3g3e n TRP 185 Cb 0.20 -0.14 0.59 0.00 -2.01 0.00 0.00 31.31 29.95 3g3e n TRP 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3g3e h ALA 186 N 3.89 1.25 0.00 6.99 0.00 -1.48 -2.66 119.26 127.25 3g3e h ALA 186 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g3e h ALA 186 Cb 1.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3g3e h ALA 186 CO 0.12 0.24 -0.03 0.78 0.00 0.00 0.00 179.25 180.36 3g3e h GLY 187 N 1.15 0.00 2.00 0.00 0.00 -1.77 -0.99 103.07 103.46 3g3e h GLY 187 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g3e h GLY 187 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3g3e n ALA 188 N -2.50 1.62 -0.06 3.60 0.00 -1.00 -2.81 120.51 119.36 3g3e n ALA 188 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 3g3e n ALA 188 Cb 0.12 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 3g3e n ALA 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g3e n LEU 189 N -2.01 0.00 -3.34 0.00 4.77 -0.40 -4.89 117.00 111.13 3g3e n LEU 189 Ca 0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3g3e n LEU 189 Cb 0.20 0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3g3e n LEU 189 CO 0.17 0.32 0.30 -1.58 -1.33 0.00 0.00 177.39 175.27 3g3e s GLN 190 N -2.52 0.49 0.30 3.23 0.74 -1.07 -4.67 119.66 116.16 3g3e s GLN 190 Ca -0.07 1.03 -0.30 0.00 0.05 0.00 0.00 55.36 56.07 3g3e s GLN 190 Cb 0.06 0.60 -0.12 0.00 1.10 0.00 0.00 33.01 34.64 3g3e s GLN 190 CO 0.65 -0.37 1.47 2.89 -0.55 0.00 0.00 175.29 179.38 3g3e n ARG 191 N 5.38 2.40 -3.39 1.67 1.85 -1.12 -4.17 116.66 119.27 3g3e n ARG 191 Ca -0.06 0.85 -0.19 0.00 -1.00 0.00 0.00 57.85 57.45 3g3e n ARG 191 Cb 0.51 -2.55 -0.09 0.00 -1.05 0.00 0.00 32.46 29.28 3g3e n ARG 191 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3g3e s ASP 192 N 0.19 1.60 0.27 2.89 -1.08 -1.26 -5.00 116.67 114.28 3g3e s ASP 192 Ca 0.62 -1.42 0.23 0.00 -0.52 0.00 0.00 52.55 51.46 3g3e s ASP 192 Cb -0.55 0.40 1.02 0.00 -1.46 0.00 0.00 42.92 42.33 3g3e s ASP 192 CO 0.54 -0.31 1.71 -0.81 0.52 0.00 0.00 175.17 176.82 3g3e n PRO 193 N 4.54 0.19 0.00 4.34 -0.04 -1.26 -1.69 135.00 141.08 3g3e n PRO 193 Ca 0.07 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3g3e n PRO 193 Cb 0.44 -1.89 0.50 0.00 -0.04 0.00 0.00 33.50 32.51 3g3e n PRO 193 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g3e n LEU 194 N -2.26 0.22 -4.67 1.53 4.77 -1.26 -4.72 117.00 110.62 3g3e n LEU 194 Ca 0.02 0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 3g3e n LEU 194 Cb 0.20 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 3g3e n LEU 194 CO 0.18 0.05 -0.18 -0.22 -1.33 0.00 0.00 177.39 175.89 3g3e s LEU 195 N -2.92 4.09 0.11 2.23 2.96 -0.68 -4.13 118.68 120.33 3g3e s LEU 195 Ca 0.15 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3g3e s LEU 195 Cb 0.19 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3g3e s LEU 195 CO 0.58 0.09 0.18 0.00 -1.32 0.00 0.00 176.35 175.87 3g3e s GLN 196 N 0.89 0.91 0.23 1.98 -2.07 0.08 -4.97 119.66 116.71 3g3e s GLN 196 Ca 0.07 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 52.23 3g3e s GLN 196 Cb -0.13 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 3g3e s GLN 196 CO 0.03 -0.29 0.91 -1.25 -1.32 0.00 0.00 175.29 173.37 3g3e s PRO 197 N -3.91 4.80 -0.70 9.60 0.04 -1.26 0.05 135.00 143.62 3g3e s PRO 197 Ca 0.10 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 3g3e s PRO 197 Cb 0.05 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.51 3g3e s PRO 197 CO -0.07 0.52 0.53 0.20 0.04 0.00 0.00 177.00 178.22 3g3e s GLY 198 N -1.19 2.67 0.16 0.56 0.00 0.78 -1.12 107.32 109.17 3g3e s GLY 198 Ca 0.40 -3.44 -0.31 0.00 0.00 0.00 0.00 44.72 41.37 3g3e s GLY 198 CO 0.31 1.12 1.67 -1.60 0.00 0.00 0.00 173.10 174.60 3g3e s ARG 199 N -0.45 4.17 0.15 2.90 3.52 -0.92 -1.54 118.95 126.78 3g3e s ARG 199 Ca 0.20 2.47 0.08 0.00 -0.13 0.00 0.00 55.73 58.34 3g3e s ARG 199 Cb -0.16 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3g3e s ARG 199 CO -0.06 -0.71 -0.17 0.20 -0.81 0.00 0.00 175.30 173.75 3g3e s GLY 200 N 1.62 1.28 0.04 8.12 0.00 0.18 -1.15 107.32 117.40 3g3e s GLY 200 Ca 0.74 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 44.07 3g3e s GLY 200 CO 0.32 -1.47 -0.09 1.62 0.00 0.00 0.00 173.10 173.48 3g3e s GLN 201 N -2.76 0.60 0.05 2.90 0.74 -1.26 0.07 119.66 120.00 3g3e s GLN 201 Ca 0.13 -0.68 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 3g3e s GLN 201 Cb -0.05 -0.46 -0.01 0.00 1.10 0.00 0.00 33.01 33.58 3g3e s GLN 201 CO 0.05 0.10 0.11 0.96 -0.55 0.00 0.00 175.29 175.96 3g3e s ILE 202 N -1.08 0.15 0.04 -2.34 -5.25 0.37 -4.37 121.20 108.72 3g3e s ILE 202 Ca -0.05 -1.21 0.07 0.00 -0.99 0.00 0.00 60.65 58.46 3g3e s ILE 202 Cb -0.08 -1.10 -0.03 0.00 2.95 0.00 0.00 42.46 44.20 3g3e s ILE 202 CO 0.01 -0.67 -0.16 -0.04 -1.79 0.00 0.00 174.94 172.29 3g3e s MET 203 N -3.10 2.13 -0.15 0.37 -1.94 0.76 -1.64 119.30 115.73 3g3e s MET 203 Ca -0.01 -0.96 -0.02 0.00 -1.71 0.00 0.00 55.69 52.99 3g3e s MET 203 Cb 0.02 -2.23 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 3g3e s MET 203 CO -0.07 0.54 -0.07 0.15 -0.01 0.00 0.00 175.02 175.57 3g3e s LYS 204 N -1.48 3.56 0.09 2.03 1.02 0.20 0.24 119.74 125.39 3g3e s LYS 204 Ca 0.15 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.62 3g3e s LYS 204 Cb -0.11 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3g3e s LYS 204 CO 0.06 0.21 -0.15 0.54 -0.92 0.00 0.00 175.35 175.10 3g3e s VAL 205 N 0.41 1.23 -0.55 3.17 0.11 0.67 -0.01 120.40 125.42 3g3e s VAL 205 Ca -0.06 -1.47 -0.20 0.00 -2.93 0.00 0.00 61.98 57.32 3g3e s VAL 205 Cb -0.15 -1.27 0.07 0.00 -1.53 0.00 0.00 36.38 33.50 3g3e s VAL 205 CO 0.04 -0.28 0.73 -0.62 -3.33 0.00 0.00 175.10 171.64 3g3e s ASP 206 N -2.00 6.22 -0.41 3.54 2.15 0.98 -0.79 116.67 126.37 3g3e s ASP 206 Ca 0.02 -0.98 0.09 0.00 0.43 0.00 0.00 52.55 52.11 3g3e s ASP 206 Cb -0.08 -2.33 0.31 0.00 -0.30 0.00 0.00 42.92 40.52 3g3e s ASP 206 CO 0.03 -1.06 0.79 0.00 -0.17 0.00 0.00 175.17 174.75 3g3e n ALA 207 N 6.57 1.13 0.72 3.66 0.00 -1.26 -3.60 120.51 127.72 3g3e n ALA 207 Ca -0.06 -2.77 0.07 0.00 0.00 0.00 0.00 53.44 50.68 3g3e n ALA 207 Cb 0.45 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 19.28 3g3e n ALA 207 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g3e n PRO 208 N 0.69 0.22 0.00 0.00 -0.04 -1.26 -1.03 135.00 133.58 3g3e n PRO 208 Ca 0.18 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.92 3g3e n PRO 208 Cb 0.64 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.16 3g3e n PRO 208 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3g3e n TRP 209 N -1.28 0.00 -3.06 0.54 2.14 -1.26 -4.74 117.44 109.79 3g3e n TRP 209 Ca 0.07 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.22 3g3e n TRP 209 Cb 0.12 -0.13 -0.06 0.00 -0.81 0.00 0.00 31.31 30.43 3g3e n TRP 209 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 3g3e s MET 210 N -2.38 3.46 0.00 -2.67 -1.94 -0.20 -4.89 119.30 110.69 3g3e s MET 210 Ca 0.30 -0.13 0.10 0.00 -1.71 0.00 0.00 55.69 54.26 3g3e s MET 210 Cb 0.20 -3.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 3g3e s MET 210 CO 0.46 -0.95 0.60 1.63 -0.01 0.00 0.00 175.02 176.75 3g3e n LYS 211 N 6.34 2.45 -4.42 2.03 4.76 -1.26 -4.76 118.16 123.30 3g3e n LYS 211 Ca -0.00 -0.47 -0.23 0.00 -2.87 0.00 0.00 58.31 54.75 3g3e n LYS 211 Cb 0.48 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 3g3e n LYS 211 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3g3e s HIS 212 N -1.55 2.10 0.24 2.13 3.76 -1.26 -4.53 115.29 116.18 3g3e s HIS 212 Ca 0.08 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 3g3e s HIS 212 Cb 0.08 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 3g3e s HIS 212 CO 0.30 0.58 0.47 -0.59 -0.85 0.00 0.00 174.74 174.65 3g3e s PHE 213 N -2.52 3.48 -0.12 1.40 -0.12 -0.76 -4.37 117.98 114.96 3g3e s PHE 213 Ca 0.26 0.49 -0.04 0.00 -0.05 0.00 0.00 56.93 57.60 3g3e s PHE 213 Cb -0.04 -1.98 0.05 0.00 -0.63 0.00 0.00 43.02 40.42 3g3e s PHE 213 CO 0.12 0.28 0.10 0.42 -0.05 0.00 0.00 175.22 176.09 3g3e s ILE 214 N -1.97 -0.14 -0.16 -4.49 1.01 -0.51 -0.18 121.20 114.77 3g3e s ILE 214 Ca 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 3g3e s ILE 214 Cb -0.11 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3g3e s ILE 214 CO 0.29 -0.07 -0.10 -0.76 0.00 0.00 0.00 174.94 174.31 3g3e s LEU 215 N 2.19 2.80 0.12 2.97 1.43 0.42 -1.52 118.68 127.08 3g3e s LEU 215 Ca 0.04 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3g3e s LEU 215 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3g3e s LEU 215 CO -0.07 0.11 0.25 0.42 0.23 0.00 0.00 176.35 177.29 3g3e s THR 216 N 0.71 5.31 -0.07 5.49 -4.23 -1.04 -0.75 115.64 121.05 3g3e s THR 216 Ca -0.05 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 3g3e s THR 216 Cb -0.15 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.02 3g3e s THR 216 CO 0.02 -0.01 -0.14 -1.00 -0.54 0.00 0.00 174.62 172.95 3g3e s HIS 217 N -1.66 1.64 -0.12 3.99 0.09 0.48 -4.72 115.29 114.98 3g3e s HIS 217 Ca 0.34 -0.64 -0.04 0.00 -0.00 0.00 0.00 55.06 54.73 3g3e s HIS 217 Cb -0.12 -1.18 0.05 0.00 -0.00 0.00 0.00 32.58 31.33 3g3e s HIS 217 CO 0.28 -0.32 0.08 0.34 -0.00 0.00 0.00 174.74 175.12 3g3e s ASP 218 N 0.68 1.91 0.44 1.40 -1.08 -1.26 -4.35 116.67 114.41 3g3e s ASP 218 Ca -0.14 -0.36 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 3g3e s ASP 218 Cb -0.16 -0.21 0.99 0.00 -1.46 0.00 0.00 42.92 42.08 3g3e s ASP 218 CO 0.04 -0.31 2.04 1.55 0.52 0.00 0.00 175.17 179.00 3g3e h PRO 219 N 8.42 0.21 -0.61 4.34 0.13 -1.99 0.24 132.00 142.74 3g3e h PRO 219 Ca -0.14 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 3g3e h PRO 219 Cb 1.14 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3g3e h PRO 219 CO 0.24 0.22 0.16 0.93 -0.23 0.00 0.00 178.00 179.32 3g3e h GLU 220 N 0.21 0.98 0.05 0.86 4.39 -2.02 -3.30 114.58 115.75 3g3e h GLU 220 Ca 0.05 -0.23 -0.34 0.00 0.34 0.00 0.00 59.36 59.18 3g3e h GLU 220 Cb 0.13 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3g3e h GLU 220 CO 0.00 0.89 -1.99 0.54 -1.16 0.00 0.00 179.01 177.29 3g3e n ARG 221 N -4.34 0.69 0.00 2.33 5.12 -1.01 -5.09 116.66 114.36 3g3e n ARG 221 Ca 0.03 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 3g3e n ARG 221 Cb 0.24 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 3g3e n ARG 221 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 222 N 1.84 0.01 3.32 -0.13 0.00 0.82 -4.68 105.19 106.37 3g3e n GLY 222 Ca -0.28 -1.79 -0.49 0.00 0.00 0.00 0.00 46.02 43.45 3g3e n GLY 222 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g3e n ILE 223 N 0.18 1.44 -0.91 -0.61 0.13 -1.26 -1.52 119.36 116.81 3g3e n ILE 223 Ca 0.00 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.29 3g3e n ILE 223 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3g3e n ILE 223 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3g3e n TYR 224 N 0.38 0.00 -0.81 9.51 0.53 -1.26 -4.76 117.16 120.75 3g3e n TYR 224 Ca 0.18 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.14 3g3e n TYR 224 Cb 0.20 -1.88 0.12 0.00 -1.03 0.00 0.00 39.34 36.75 3g3e n TYR 224 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3g3e n ASN 225 N -0.71 2.40 -4.17 7.72 5.15 -0.57 -2.19 115.26 122.89 3g3e n ASN 225 Ca 0.00 -2.82 -0.13 0.00 -0.60 0.00 0.00 54.58 51.03 3g3e n ASN 225 Cb 0.44 -0.34 -0.11 0.00 -0.53 0.00 0.00 39.78 39.24 3g3e n ASN 225 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3g3e s SER 226 N -2.35 1.35 0.09 1.20 1.04 -1.25 -4.72 113.70 109.05 3g3e s SER 226 Ca 0.25 -0.86 -0.36 0.00 0.48 0.00 0.00 55.95 55.46 3g3e s SER 226 Cb 0.22 0.03 -0.16 0.00 0.10 0.00 0.00 66.02 66.21 3g3e s SER 226 CO 0.03 -0.32 1.39 -2.65 0.98 0.00 0.00 173.24 172.68 3g3e n PRO 227 N 0.41 1.33 -4.11 4.02 -0.02 -1.26 -4.29 135.00 131.08 3g3e n PRO 227 Ca -0.15 0.48 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 3g3e n PRO 227 Cb 0.58 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 3g3e n PRO 227 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3g3e s TYR 228 N 0.65 0.82 -0.07 6.00 -0.85 -0.79 -2.51 117.35 120.61 3g3e s TYR 228 Ca 0.84 -0.58 -0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3g3e s TYR 228 Cb -0.91 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 40.98 3g3e s TYR 228 CO 0.46 -0.06 -0.02 0.42 -1.52 0.00 0.00 175.55 174.82 3g3e s ILE 229 N -1.83 0.51 -0.27 -3.49 1.01 -0.58 -1.80 121.20 114.74 3g3e s ILE 229 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3g3e s ILE 229 Cb -0.07 -0.60 0.09 0.00 0.01 0.00 0.00 42.46 41.89 3g3e s ILE 229 CO -0.00 0.26 0.10 -0.63 0.00 0.00 0.00 174.94 174.67 3g3e s ILE 230 N 1.58 0.39 0.28 2.92 1.01 -0.45 -1.42 121.20 125.51 3g3e s ILE 230 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 3g3e s ILE 230 Cb -0.13 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 41.02 3g3e s ILE 230 CO -0.04 -0.59 1.45 -2.84 0.00 0.00 0.00 174.94 172.92 3g3e s PRO 231 N 1.88 4.25 0.00 2.79 0.02 -1.26 -1.66 135.00 141.02 3g3e s PRO 231 Ca 0.07 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3g3e s PRO 231 Cb -0.17 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3g3e s PRO 231 CO -0.26 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 3g3e n GLY 232 N 1.82 4.38 0.19 0.52 0.00 0.13 -4.93 105.19 107.30 3g3e n GLY 232 Ca 0.05 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 43.76 3g3e n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3e h THR 233 N 0.40 1.31 -0.00 2.61 1.35 -1.97 -3.38 112.91 113.22 3g3e h THR 233 Ca 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3g3e h THR 233 Cb 0.00 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3g3e h THR 233 CO 0.00 0.66 -0.18 0.00 -0.25 0.00 0.00 175.52 175.75 3g3e n GLN 234 N -3.96 2.84 -3.56 4.72 1.13 -1.26 -5.05 117.38 112.24 3g3e n GLN 234 Ca -0.10 -0.39 -0.08 0.00 -1.94 0.00 0.00 57.00 54.49 3g3e n GLN 234 Cb 0.81 -0.95 -0.03 0.00 0.11 0.00 0.00 30.24 30.18 3g3e n GLN 234 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3g3e s THR 235 N -1.21 0.00 -0.22 5.09 2.01 -1.26 -4.91 115.64 115.14 3g3e s THR 235 Ca 0.05 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 3g3e s THR 235 Cb 0.05 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3g3e s THR 235 CO 0.20 0.00 0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 3g3e s VAL 236 N -1.97 5.05 -0.13 3.82 1.01 0.03 -0.69 120.40 127.53 3g3e s VAL 236 Ca 0.03 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 3g3e s VAL 236 Cb -0.01 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3g3e s VAL 236 CO -0.04 0.38 0.82 -0.89 0.00 0.00 0.00 175.10 175.37 3g3e s THR 237 N 0.90 4.92 -0.18 3.92 2.01 -0.66 -0.24 115.64 126.30 3g3e s THR 237 Ca 0.06 1.64 -0.03 0.00 0.31 0.00 0.00 61.69 63.66 3g3e s THR 237 Cb -0.13 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 3g3e s THR 237 CO 0.03 0.09 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.23 3g3e s LEU 238 N 1.73 2.97 0.00 4.42 1.02 0.14 -1.34 118.68 127.61 3g3e s LEU 238 Ca 0.40 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.25 3g3e s LEU 238 Cb -0.17 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.31 3g3e s LEU 238 CO 0.15 0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.21 3g3e n GLY 239 N 4.16 4.23 0.00 -3.19 0.00 -0.75 -0.17 105.19 109.47 3g3e n GLY 239 Ca -0.18 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3g3e n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 240 N 0.00 0.25 2.94 -0.02 0.00 -1.26 -1.89 105.19 105.21 3g3e n GLY 240 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3g3e n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3e s ILE 241 N -0.45 0.97 -0.11 -0.61 -1.09 -0.93 -3.91 121.20 115.06 3g3e s ILE 241 Ca 0.00 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 3g3e s ILE 241 Cb 0.00 -0.95 0.04 0.00 -1.58 0.00 0.00 42.46 39.97 3g3e s ILE 241 CO 0.00 0.34 0.04 0.12 -1.23 0.00 0.00 174.94 174.21 3g3e s PHE 242 N 1.25 0.48 -0.36 3.97 2.19 -1.22 -4.24 117.98 120.04 3g3e s PHE 242 Ca -0.04 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 56.98 3g3e s PHE 242 Cb -0.14 -0.74 0.12 0.00 -1.31 0.00 0.00 43.02 40.95 3g3e s PHE 242 CO -0.03 -0.40 0.16 -0.65 1.83 0.00 0.00 175.22 176.14 3g3e s GLN 243 N 2.04 0.92 0.15 10.12 -0.21 -0.30 -4.91 119.66 127.46 3g3e s GLN 243 Ca 0.03 -1.47 -0.31 0.00 0.02 0.00 0.00 55.36 53.63 3g3e s GLN 243 Cb -0.14 -2.06 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 3g3e s GLN 243 CO -0.06 -1.08 1.42 -1.17 -2.12 0.00 0.00 175.29 172.28 3g3e s LEU 244 N 1.07 4.38 0.00 2.90 2.96 -1.26 -2.16 118.68 126.57 3g3e s LEU 244 Ca 0.14 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 3g3e s LEU 244 Cb -0.21 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.89 3g3e s LEU 244 CO -0.12 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 3g3e n GLY 245 N 3.29 2.04 3.63 7.98 0.00 -0.28 -4.98 105.19 116.87 3g3e n GLY 245 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3g3e n GLY 245 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g3e s ASN 246 N -3.45 6.79 -0.13 1.61 3.84 -0.95 -4.89 114.94 117.75 3g3e s ASN 246 Ca 0.00 0.87 0.17 0.00 0.21 0.00 0.00 52.86 54.11 3g3e s ASN 246 Cb 0.00 -2.46 0.70 0.00 -0.55 0.00 0.00 41.25 38.94 3g3e s ASN 246 CO 0.00 -0.68 1.61 0.79 -2.79 0.00 0.00 177.10 176.04 3g3e n TRP 247 N 6.36 1.48 -2.75 0.43 7.02 -1.26 -4.32 117.44 124.40 3g3e n TRP 247 Ca 0.07 -0.65 -0.43 0.00 -1.02 0.00 0.00 57.50 55.47 3g3e n TRP 247 Cb 0.48 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 3g3e n TRP 247 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3g3e s SER 248 N -0.99 6.58 -1.21 -0.99 0.15 -1.26 -4.94 113.70 111.04 3g3e s SER 248 Ca 0.50 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.40 3g3e s SER 248 Cb 0.33 -2.48 0.21 0.00 -1.71 0.00 0.00 66.02 62.37 3g3e s SER 248 CO 0.22 -1.07 1.83 1.21 1.20 0.00 0.00 173.24 176.63 3g3e n GLU 249 N 7.27 4.13 -3.68 5.44 2.13 -1.26 -4.86 120.64 129.81 3g3e n GLU 249 Ca 0.08 -3.89 -0.10 0.00 0.66 0.00 0.00 57.16 53.91 3g3e n GLU 249 Cb 0.48 -2.73 -0.09 0.00 0.27 0.00 0.00 31.44 29.37 3g3e n GLU 249 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3g3e s LEU 250 N -1.48 -0.37 0.19 4.31 2.96 -1.26 -5.02 118.68 118.00 3g3e s LEU 250 Ca 0.39 1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 55.12 3g3e s LEU 250 Cb 0.10 1.76 -0.10 0.00 0.50 0.00 0.00 46.19 48.45 3g3e s LEU 250 CO 0.01 -0.21 1.48 0.20 -1.32 0.00 0.00 176.35 176.51 3g3e s ASN 251 N 1.35 6.67 -0.20 3.68 0.01 -1.26 -4.89 114.94 120.29 3g3e s ASN 251 Ca -0.09 2.57 -0.07 0.00 -0.71 0.00 0.00 52.86 54.56 3g3e s ASN 251 Cb -0.07 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 3g3e s ASN 251 CO -0.14 -0.73 0.06 0.21 -1.51 0.00 0.00 177.10 174.99 3g3e s ASN 252 N 0.82 5.45 0.19 -1.22 2.47 -1.26 -5.03 114.94 116.36 3g3e s ASN 252 Ca 0.65 -0.02 -0.14 0.00 0.42 0.00 0.00 52.86 53.77 3g3e s ASN 252 Cb -0.41 -1.95 0.19 0.00 -1.45 0.00 0.00 41.25 37.63 3g3e s ASN 252 CO 0.36 0.11 1.66 0.40 -3.72 0.00 0.00 177.10 175.90 3g3e h ILE 253 N 5.09 0.52 -0.65 -5.21 1.08 -1.99 0.26 117.51 116.61 3g3e h ILE 253 Ca -0.36 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 3g3e h ILE 253 Cb 1.17 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 3g3e h ILE 253 CO 0.65 0.01 0.35 1.56 -0.69 0.00 0.00 178.15 180.03 3g3e h GLN 254 N 0.04 0.62 -0.43 2.37 1.08 -1.99 -0.97 115.11 115.83 3g3e h GLN 254 Ca 0.26 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 3g3e h GLN 254 Cb 0.40 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3g3e h GLN 254 CO -0.50 0.41 -0.28 -0.44 -0.95 0.00 0.00 178.83 177.07 3g3e h ASP 255 N 0.64 0.97 -0.27 1.46 3.32 -1.75 -0.46 116.42 120.33 3g3e h ASP 255 Ca 0.30 -0.39 0.07 0.00 0.02 0.00 0.00 57.03 57.02 3g3e h ASP 255 Cb 0.22 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3g3e h ASP 255 CO -0.20 1.18 -0.24 -0.74 -1.72 0.00 0.00 179.24 177.51 3g3e h HIS 256 N 0.79 -0.65 -0.89 4.55 -0.00 -0.71 -0.66 115.15 117.59 3g3e h HIS 256 Ca 0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3g3e h HIS 256 Cb 0.85 0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 28.54 3g3e h HIS 256 CO 0.05 -0.32 0.48 -0.91 -0.00 0.00 0.00 177.93 177.24 3g3e h ASN 257 N -0.24 1.11 -0.36 3.26 2.35 -0.71 0.13 115.58 121.12 3g3e h ASN 257 Ca 0.15 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3g3e h ASN 257 Cb 0.46 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3g3e h ASN 257 CO -0.41 0.89 0.20 0.74 -1.65 0.00 0.00 177.43 177.21 3g3e h THR 258 N 1.24 1.14 0.18 2.81 2.02 -0.39 -0.57 112.91 119.34 3g3e h THR 258 Ca 0.31 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3g3e h THR 258 Cb 0.03 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3g3e h THR 258 CO -0.05 0.14 -0.09 0.40 0.37 0.00 0.00 175.52 176.30 3g3e h ILE 259 N 0.46 0.88 -0.42 3.11 2.04 -0.88 -1.59 117.51 121.12 3g3e h ILE 259 Ca 0.13 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3g3e h ILE 259 Cb 0.05 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3g3e h ILE 259 CO -0.02 0.07 0.20 -0.25 0.00 0.00 0.00 178.15 178.15 3g3e h TRP 260 N -0.40 0.36 0.00 1.37 2.91 -0.83 -0.70 115.95 118.66 3g3e h TRP 260 Ca -0.03 0.02 -0.19 0.00 1.13 0.00 0.00 58.89 59.82 3g3e h TRP 260 Cb 0.31 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 3g3e h TRP 260 CO -0.02 0.18 -0.90 0.93 -1.03 0.00 0.00 178.44 177.60 3g3e h GLU 261 N 0.40 0.00 -0.15 2.65 5.08 -1.10 -1.33 114.58 120.13 3g3e h GLU 261 Ca 0.18 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3g3e h GLU 261 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g3e h GLU 261 CO -0.14 0.90 -0.29 0.78 -1.00 0.00 0.00 179.01 179.26 3g3e h GLY 262 N 2.69 0.50 1.76 -3.84 0.00 -1.05 -2.39 103.07 100.75 3g3e h GLY 262 Ca -0.01 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.59 3g3e h GLY 262 CO 0.12 0.53 -0.57 0.00 0.00 0.00 0.00 176.54 176.62 3g3e h ARG 265 N 0.00 0.37 -0.60 0.00 2.43 -1.04 -2.46 114.38 113.09 3g3e h ARG 265 Ca -0.00 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3g3e h ARG 265 Cb 0.84 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3g3e h ARG 265 CO 0.06 0.88 0.36 1.25 -1.51 0.00 0.00 179.97 181.01 3g3e h LEU 266 N -0.07 0.58 -6.58 3.80 6.46 -0.87 -3.38 115.31 115.26 3g3e h LEU 266 Ca -0.01 0.01 -0.43 0.00 -0.12 0.00 0.00 57.88 57.33 3g3e h LEU 266 Cb 0.89 -0.12 -0.36 0.00 -0.73 0.00 0.00 40.66 40.35 3g3e h LEU 266 CO 0.06 0.40 -0.72 -0.70 -0.62 0.00 0.00 178.44 176.86 3g3e s GLU 267 N -6.13 0.37 0.63 1.25 2.56 -0.00 -4.93 118.70 112.45 3g3e s GLU 267 Ca -0.13 -0.56 0.30 0.00 0.00 0.00 0.00 54.97 54.58 3g3e s GLU 267 Cb 0.14 -0.91 1.61 0.00 2.00 0.00 0.00 34.13 36.97 3g3e s GLU 267 CO 0.75 -1.08 1.95 -1.35 -0.56 0.00 0.00 175.26 174.97 3g3e h PRO 268 N 7.92 0.00 0.00 4.30 0.11 -1.63 -1.31 132.00 141.39 3g3e h PRO 268 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3g3e h PRO 268 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3g3e h PRO 268 CO 0.33 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 179.89 3g3e h THR 269 N 0.00 0.07 0.00 -1.15 1.35 -1.93 -2.55 112.91 108.70 3g3e h THR 269 Ca 0.07 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3g3e h THR 269 Cb 0.78 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3g3e h THR 269 CO -0.00 0.02 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.12 3g3e h LEU 270 N 0.00 0.00 -1.24 3.87 4.07 -1.56 -3.27 115.31 117.18 3g3e h LEU 270 Ca -0.00 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.22 3g3e h LEU 270 Cb 0.35 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.99 3g3e h LEU 270 CO 0.00 0.10 0.64 0.11 -1.08 0.00 0.00 178.44 178.21 3g3e h LYS 271 N 0.00 0.46 -0.60 1.13 1.57 -1.68 0.25 116.57 117.69 3g3e h LYS 271 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3g3e h LYS 271 Cb 0.25 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3g3e h LYS 271 CO 0.01 0.30 0.13 0.09 -0.57 0.00 0.00 179.45 179.41 3g3e n ASN 272 N -4.71 4.89 -4.70 0.86 3.02 -1.23 -4.94 115.26 108.45 3g3e n ASN 272 Ca 0.26 -3.13 -0.41 0.00 -0.03 0.00 0.00 54.58 51.27 3g3e n ASN 272 Cb 0.82 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 3g3e n ASN 272 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g3e s ALA 273 N -2.92 3.34 0.19 5.41 0.00 0.88 -4.99 121.76 123.67 3g3e s ALA 273 Ca 0.53 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 3g3e s ALA 273 Cb 0.42 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.31 3g3e s ALA 273 CO 0.13 -0.31 1.18 0.50 0.00 0.00 0.00 175.76 177.26 3g3e s ARG 274 N 1.28 4.51 -0.09 0.00 3.52 -1.24 -4.77 118.95 122.15 3g3e s ARG 274 Ca 0.42 1.85 -0.27 0.00 -0.13 0.00 0.00 55.73 57.60 3g3e s ARG 274 Cb -0.18 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 3g3e s ARG 274 CO 0.19 -0.06 0.89 0.42 -0.81 0.00 0.00 175.30 175.93 3g3e s ILE 275 N -0.10 4.88 -0.18 4.11 1.01 -1.26 -0.02 121.20 129.65 3g3e s ILE 275 Ca 0.52 1.80 0.06 0.00 0.00 0.00 0.00 60.65 63.03 3g3e s ILE 275 Cb -0.32 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 37.79 3g3e s ILE 275 CO 0.36 0.09 -0.09 -0.38 0.00 0.00 0.00 174.94 174.92 3g3e n ILE 276 N 4.32 1.09 -3.70 2.92 5.41 0.98 -4.95 119.36 125.43 3g3e n ILE 276 Ca 0.05 -0.50 0.01 0.00 1.00 0.00 0.00 62.75 63.30 3g3e n ILE 276 Cb 0.50 -0.98 -0.00 0.00 -0.71 0.00 0.00 39.64 38.45 3g3e n ILE 276 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3g3e s GLY 277 N -5.53 -0.32 -0.14 7.39 0.00 -1.03 -4.98 107.32 102.70 3g3e s GLY 277 Ca -0.20 0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.90 3g3e s GLY 277 CO 0.51 0.99 0.36 -0.54 0.00 0.00 0.00 173.10 174.42 3g3e s GLU 278 N -2.46 0.37 -0.03 2.90 2.02 -1.26 0.58 118.70 120.81 3g3e s GLU 278 Ca 0.16 0.62 -0.10 0.00 0.02 0.00 0.00 54.97 55.68 3g3e s GLU 278 Cb 0.03 0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.32 3g3e s GLU 278 CO -0.02 -0.11 0.22 1.03 0.02 0.00 0.00 175.26 176.39 3g3e s ARG 279 N 0.87 0.47 0.20 1.61 1.81 -0.65 -4.99 118.95 118.28 3g3e s ARG 279 Ca -0.06 -0.11 0.07 0.00 -1.72 0.00 0.00 55.73 53.92 3g3e s ARG 279 Cb -0.06 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 3g3e s ARG 279 CO -0.06 -0.11 0.06 0.99 -0.68 0.00 0.00 175.30 175.49 3g3e s THR 280 N -0.89 3.93 0.20 0.02 2.01 -1.26 -0.48 115.64 119.17 3g3e s THR 280 Ca -0.10 -1.45 -0.23 0.00 0.31 0.00 0.00 61.69 60.23 3g3e s THR 280 Cb -0.05 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3g3e s THR 280 CO 0.02 -0.20 0.71 -0.83 -0.69 0.00 0.00 174.62 173.63 3g3e s GLY 281 N -3.25 -0.33 -0.32 4.40 0.00 0.11 -4.96 107.32 102.97 3g3e s GLY 281 Ca 0.30 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 3g3e s GLY 281 CO 0.21 0.04 0.06 -1.36 0.00 0.00 0.00 173.10 172.05 3g3e s PHE 282 N -3.74 3.27 0.19 1.90 0.08 -1.26 -0.64 117.98 117.78 3g3e s PHE 282 Ca 0.07 -1.68 -0.31 0.00 0.12 0.00 0.00 56.93 55.14 3g3e s PHE 282 Cb -0.03 -2.23 -0.10 0.00 -0.57 0.00 0.00 43.02 40.09 3g3e s PHE 282 CO -0.02 -0.77 1.49 1.03 -0.10 0.00 0.00 175.22 176.85 3g3e s ARG 283 N 1.32 4.25 -1.16 0.44 0.52 -0.59 -4.72 118.95 119.02 3g3e s ARG 283 Ca -0.03 2.30 -0.18 0.00 -0.52 0.00 0.00 55.73 57.30 3g3e s ARG 283 Cb -0.20 -3.15 0.10 0.00 0.52 0.00 0.00 34.95 32.22 3g3e s ARG 283 CO 0.01 -0.51 1.51 -1.25 0.02 0.00 0.00 175.30 175.08 3g3e s PRO 284 N 0.52 3.87 0.12 3.54 0.04 -1.24 -0.16 135.00 141.69 3g3e s PRO 284 Ca 0.65 -1.91 -0.30 0.00 0.04 0.00 0.00 61.00 59.48 3g3e s PRO 284 Cb -0.42 -5.29 -0.06 0.00 0.04 0.00 0.00 34.50 28.77 3g3e s PRO 284 CO 0.36 -2.06 1.01 0.08 0.04 0.00 0.00 177.00 176.43 3g3e s VAL 285 N 3.53 4.33 0.04 -0.36 1.01 0.11 0.06 120.40 129.11 3g3e s VAL 285 Ca 0.46 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 64.15 3g3e s VAL 285 Cb 0.00 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.20 3g3e s VAL 285 CO -0.01 0.29 0.51 -0.60 0.00 0.00 0.00 175.10 175.30 3g3e s ARG 286 N -0.01 1.02 0.43 2.72 3.52 -1.26 -0.74 118.95 124.63 3g3e s ARG 286 Ca 0.48 -0.22 0.16 0.00 -0.13 0.00 0.00 55.73 56.02 3g3e s ARG 286 Cb -0.25 0.47 0.97 0.00 -1.56 0.00 0.00 34.95 34.57 3g3e s ARG 286 CO 0.31 -0.36 1.94 -1.35 -0.81 0.00 0.00 175.30 175.03 3g3e h PRO 287 N 2.83 0.00 -3.95 5.12 0.11 -1.92 -3.43 132.00 130.76 3g3e h PRO 287 Ca -0.31 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 3g3e h PRO 287 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 3g3e h PRO 287 CO 0.41 0.24 -0.65 -0.65 -0.21 0.00 0.00 178.00 177.14 3g3e s GLN 288 N -4.42 0.42 0.42 1.05 -0.21 -1.26 -4.75 119.66 110.92 3g3e s GLN 288 Ca -0.03 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.38 3g3e s GLN 288 Cb 0.15 0.15 -0.08 0.00 1.00 0.00 0.00 33.01 34.23 3g3e s GLN 288 CO 0.69 -0.08 1.34 0.42 -2.12 0.00 0.00 175.29 175.54 3g3e s ILE 289 N -2.03 2.43 -0.51 1.08 1.01 -1.25 -4.86 121.20 117.06 3g3e s ILE 289 Ca -0.10 0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 3g3e s ILE 289 Cb -0.05 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.29 3g3e s ILE 289 CO -0.03 0.05 0.48 -0.60 0.00 0.00 0.00 174.94 174.85 3g3e s ARG 290 N -2.33 3.00 -0.43 2.79 3.52 0.96 -4.98 118.95 121.47 3g3e s ARG 290 Ca 0.59 -1.48 0.02 0.00 -0.13 0.00 0.00 55.73 54.73 3g3e s ARG 290 Cb -0.40 -4.22 0.13 0.00 -1.56 0.00 0.00 34.95 28.90 3g3e s ARG 290 CO 0.51 -1.22 0.21 -1.17 -0.81 0.00 0.00 175.30 172.83 3g3e s LEU 291 N 1.77 3.02 0.16 -0.88 2.96 -1.25 -2.06 118.68 122.41 3g3e s LEU 291 Ca 0.05 -2.54 -0.24 0.00 -0.22 0.00 0.00 54.13 51.18 3g3e s LEU 291 Cb -0.26 -1.15 0.06 0.00 0.50 0.00 0.00 46.19 45.34 3g3e s LEU 291 CO 0.05 -0.29 0.81 -1.83 -1.32 0.00 0.00 176.35 173.78 3g3e s GLU 292 N 0.43 1.30 0.40 1.98 -1.05 -0.96 -4.97 118.70 115.84 3g3e s GLU 292 Ca 0.16 -0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 54.32 3g3e s GLU 292 Cb -0.24 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 3g3e s GLU 292 CO -0.03 -0.59 0.64 1.03 0.95 0.00 0.00 175.26 177.27 3g3e s ARG 293 N -3.52 3.51 -0.28 -4.83 0.52 -1.26 -0.22 118.95 112.86 3g3e s ARG 293 Ca 0.08 -0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 54.99 3g3e s ARG 293 Cb -0.03 -2.55 0.10 0.00 0.52 0.00 0.00 34.95 33.00 3g3e s ARG 293 CO -0.02 0.01 0.81 -2.00 0.02 0.00 0.00 175.30 174.12 3g3e s GLU 294 N -4.49 0.62 -0.30 3.54 2.12 0.30 -4.93 118.70 115.57 3g3e s GLU 294 Ca 0.43 0.96 -0.15 0.00 0.36 0.00 0.00 54.97 56.57 3g3e s GLU 294 Cb -0.10 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 3g3e s GLU 294 CO 0.40 -0.11 0.39 1.14 -0.54 0.00 0.00 175.26 176.53 3g3e s GLN 295 N 1.18 3.87 0.28 4.30 0.00 -1.26 -0.25 119.66 127.77 3g3e s GLN 295 Ca -0.06 -0.09 -0.29 0.00 -0.00 0.00 0.00 55.36 54.92 3g3e s GLN 295 Cb -0.05 -3.71 -0.09 0.00 0.00 0.00 0.00 33.01 29.16 3g3e s GLN 295 CO -0.13 -0.38 1.00 -0.51 0.00 0.00 0.00 175.29 175.27 3g3e s LEU 296 N 2.10 4.54 -0.12 2.60 2.01 0.37 -4.87 118.68 125.31 3g3e s LEU 296 Ca 0.15 2.04 -0.21 0.00 0.01 0.00 0.00 54.13 56.11 3g3e s LEU 296 Cb -0.16 -3.72 -0.19 0.00 0.01 0.00 0.00 46.19 42.14 3g3e s LEU 296 CO 0.11 -0.01 0.61 -0.09 1.01 0.00 0.00 176.35 177.97 3g3e h ARG 297 N 3.78 -0.02 -0.08 1.70 9.65 -1.86 0.46 114.38 128.01 3g3e h ARG 297 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3g3e h ARG 297 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3g3e h ARG 297 CO 0.67 0.68 0.00 0.25 2.80 0.00 0.00 179.97 184.37 3g3e n THR 298 N -4.68 0.00 -3.68 0.20 -2.24 -1.26 -3.86 114.28 98.76 3g3e n THR 298 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3g3e n THR 298 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3g3e n THR 298 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 299 N 0.33 -1.73 0.00 3.38 0.00 -1.26 -3.91 105.19 102.00 3g3e n GLY 299 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3g3e n GLY 299 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g3e n PRO 300 N 0.00 0.01 -5.16 1.61 -0.04 -1.26 -4.63 135.00 125.53 3g3e n PRO 300 Ca 0.00 0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 3g3e n PRO 300 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 3g3e n PRO 300 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g3e s SER 301 N -2.99 2.89 0.01 3.54 1.04 -1.25 -5.12 113.70 111.82 3g3e s SER 301 Ca 0.08 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 3g3e s SER 301 Cb 0.10 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 65.17 3g3e s SER 301 CO 0.28 0.19 0.39 0.20 0.98 0.00 0.00 173.24 175.29 3g3e s ASN 302 N 0.07 6.76 -0.12 7.02 0.02 -1.25 -4.30 114.94 123.14 3g3e s ASN 302 Ca -0.09 0.91 -0.03 0.00 -1.02 0.00 0.00 52.86 52.62 3g3e s ASN 302 Cb -0.15 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3g3e s ASN 302 CO 0.05 0.30 0.00 -0.89 0.02 0.00 0.00 177.10 176.59 3g3e s THR 303 N -1.13 4.30 0.08 1.60 2.01 0.16 -4.92 115.64 117.73 3g3e s THR 303 Ca 0.25 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.77 3g3e s THR 303 Cb -0.16 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 3g3e s THR 303 CO 0.14 0.55 0.76 -1.61 -0.69 0.00 0.00 174.62 173.76 3g3e s GLU 304 N -0.29 4.51 -0.06 4.92 0.41 -1.20 0.14 118.70 127.13 3g3e s GLU 304 Ca 0.06 1.08 0.02 0.00 -0.41 0.00 0.00 54.97 55.72 3g3e s GLU 304 Cb -0.12 -3.33 0.02 0.00 -1.78 0.00 0.00 34.13 28.91 3g3e s GLU 304 CO 0.02 0.38 -0.09 0.08 -0.49 0.00 0.00 175.26 175.16 3g3e s VAL 305 N -0.42 0.89 -0.30 2.63 1.01 0.65 -1.01 120.40 123.85 3g3e s VAL 305 Ca 0.37 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3g3e s VAL 305 Cb -0.21 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.35 3g3e s VAL 305 CO 0.24 0.30 0.07 -0.63 0.00 0.00 0.00 175.10 175.08 3g3e s ILE 306 N 0.74 3.82 -0.02 2.22 1.01 -0.20 -0.54 121.20 128.24 3g3e s ILE 306 Ca -0.13 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.46 3g3e s ILE 306 Cb -0.15 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 3g3e s ILE 306 CO 0.02 0.02 0.65 -1.00 0.00 0.00 0.00 174.94 174.64 3g3e s HIS 307 N 1.46 3.65 -0.39 3.97 3.76 0.69 -0.03 115.29 128.40 3g3e s HIS 307 Ca 0.01 1.24 0.03 0.00 -0.15 0.00 0.00 55.06 56.19 3g3e s HIS 307 Cb -0.18 -2.70 0.16 0.00 1.11 0.00 0.00 32.58 30.97 3g3e s HIS 307 CO 0.02 0.24 0.32 1.21 -0.85 0.00 0.00 174.74 175.69 3g3e s ASN 308 N 0.19 1.76 0.26 1.40 2.47 0.12 -2.25 114.94 118.88 3g3e s ASN 308 Ca 0.34 -2.34 -0.17 0.00 0.42 0.00 0.00 52.86 51.11 3g3e s ASN 308 Cb -0.18 -0.06 0.01 0.00 -1.45 0.00 0.00 41.25 39.57 3g3e s ASN 308 CO 0.18 -0.23 0.60 -0.72 -3.72 0.00 0.00 177.10 173.21 3g3e s TYR 309 N 0.78 0.03 0.00 0.43 -0.85 -0.87 -4.29 117.35 112.58 3g3e s TYR 309 Ca 0.24 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 3g3e s TYR 309 Cb -0.11 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.70 3g3e s TYR 309 CO -0.07 -1.11 0.00 0.41 -1.52 0.00 0.00 175.55 173.26 3g3e n GLY 310 N -0.42 0.47 1.41 5.49 0.00 -1.26 -0.03 105.19 110.85 3g3e n GLY 310 Ca -0.04 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3g3e n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g3e n HIS 311 N -0.64 1.27 -0.56 1.61 8.25 -1.07 -3.92 115.22 120.16 3g3e n HIS 311 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3g3e n HIS 311 Cb 0.31 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3g3e n HIS 311 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3e n GLY 312 N 1.07 2.95 2.19 -1.41 0.00 0.11 -1.61 105.19 108.49 3g3e n GLY 312 Ca 0.22 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3g3e n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 313 N 0.00 4.40 1.72 -0.02 0.00 -1.26 -3.66 105.19 106.37 3g3e n GLY 313 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 44.96 3g3e n GLY 313 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g3e n TYR 314 N -1.02 0.18 -0.03 1.61 4.11 -0.63 -4.90 117.16 116.48 3g3e n TYR 314 Ca 0.57 -0.81 -0.11 0.00 -0.00 0.00 0.00 57.90 57.55 3g3e n TYR 314 Cb 1.63 -0.08 0.03 0.00 -0.00 0.00 0.00 39.34 40.92 3g3e n TYR 314 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 3g3e h GLY 315 N 1.21 0.73 0.96 -7.48 0.00 -1.75 -1.19 103.07 95.54 3g3e h GLY 315 Ca -0.24 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 46.14 3g3e h GLY 315 CO 0.08 0.74 -0.29 1.41 0.00 0.00 0.00 176.54 178.48 3g3e h LEU 316 N 0.52 0.72 -1.98 3.11 3.38 -1.92 -1.25 115.31 117.90 3g3e h LEU 316 Ca 0.02 -0.48 0.22 0.00 0.09 0.00 0.00 57.88 57.72 3g3e h LEU 316 Cb 1.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3g3e h LEU 316 CO 0.10 1.06 0.57 0.74 0.09 0.00 0.00 178.44 181.01 3g3e h THR 317 N 0.40 0.54 0.00 0.22 2.02 -1.74 -3.24 112.91 111.11 3g3e h THR 317 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3g3e h THR 317 Cb 0.87 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3g3e h THR 317 CO 0.07 0.00 -0.68 0.00 0.37 0.00 0.00 175.52 175.28 3g3e n ILE 318 N -4.17 0.00 -0.13 3.11 3.06 -0.47 -4.45 119.36 116.31 3g3e n ILE 318 Ca 0.15 -0.24 0.22 0.00 -2.50 0.00 0.00 62.75 60.38 3g3e n ILE 318 Cb 0.85 0.70 0.65 0.00 0.54 0.00 0.00 39.64 42.38 3g3e n ILE 318 CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 3g3e h HIS 319 N 0.00 0.15 0.15 9.51 2.07 -1.26 -2.75 115.15 123.03 3g3e h HIS 319 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3g3e h HIS 319 Cb 0.12 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.06 3g3e h HIS 319 CO 0.00 0.05 -1.53 2.35 -3.07 0.00 0.00 177.93 175.73 3g3e h TRP 320 N 0.12 0.58 -0.24 6.12 2.91 -1.84 -1.32 115.95 122.27 3g3e h TRP 320 Ca 0.37 -0.42 -0.11 0.00 1.13 0.00 0.00 58.89 59.85 3g3e h TRP 320 Cb 1.27 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3g3e h TRP 320 CO -0.00 1.44 -0.33 0.78 -1.03 0.00 0.00 178.44 179.31 3g3e h GLY 321 N 1.29 0.54 1.37 2.65 0.00 -1.55 -1.56 103.07 105.81 3g3e h GLY 321 Ca -0.25 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 3g3e h GLY 321 CO 0.19 0.45 -0.34 0.00 0.00 0.00 0.00 176.54 176.83 3g3e h ALA 323 N 1.03 0.93 0.05 0.00 0.00 -0.96 0.18 119.26 120.48 3g3e h ALA 323 Ca 0.06 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 3g3e h ALA 323 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3g3e h ALA 323 CO 0.07 0.64 -1.05 -0.07 0.00 0.00 0.00 179.25 178.85 3g3e h LEU 324 N 0.35 0.49 -0.51 0.00 3.38 -1.20 -1.89 115.31 115.92 3g3e h LEU 324 Ca 0.03 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 3g3e h LEU 324 Cb 0.91 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3g3e h LEU 324 CO 0.08 1.27 0.00 -0.08 0.09 0.00 0.00 178.44 179.79 3g3e h GLU 325 N 0.17 0.91 -0.09 1.13 4.57 -0.78 -1.73 114.58 118.77 3g3e h GLU 325 Ca -0.10 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 3g3e h GLU 325 Cb 1.71 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.21 3g3e h GLU 325 CO 0.18 0.93 0.02 0.00 -1.18 0.00 0.00 179.01 178.96 3g3e h ALA 326 N 0.94 1.88 -0.06 2.92 0.00 -0.62 -2.04 119.26 122.27 3g3e h ALA 326 Ca 0.15 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3g3e h ALA 326 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g3e h ALA 326 CO 0.03 0.10 -0.72 0.00 0.00 0.00 0.00 179.25 178.66 3g3e h ALA 327 N 1.91 0.66 -0.26 0.00 0.00 -0.73 -2.43 119.26 118.40 3g3e h ALA 327 Ca 0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3g3e h ALA 327 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3g3e h ALA 327 CO -0.00 0.78 -0.13 0.87 0.00 0.00 0.00 179.25 180.76 3g3e h LYS 328 N 0.21 0.55 -0.64 0.00 1.57 -0.67 -1.89 116.57 115.72 3g3e h LYS 328 Ca -0.03 -0.24 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3g3e h LYS 328 Cb 1.28 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 3g3e h LYS 328 CO 0.12 0.81 0.42 -0.07 -0.57 0.00 0.00 179.45 180.16 3g3e h LEU 329 N 0.28 0.47 -0.32 2.94 3.38 -1.31 -0.39 115.31 120.37 3g3e h LEU 329 Ca 0.06 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 3g3e h LEU 329 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3g3e h LEU 329 CO 0.04 0.29 -0.70 0.15 0.09 0.00 0.00 178.44 178.31 3g3e h PHE 330 N 0.53 0.83 -0.03 1.13 3.57 -1.17 -2.26 116.94 119.54 3g3e h PHE 330 Ca 0.29 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3g3e h PHE 330 Cb 0.43 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3g3e h PHE 330 CO -0.00 1.13 -0.39 0.78 -2.23 0.00 0.00 178.31 177.60 3g3e h GLY 331 N 0.92 0.08 1.38 2.40 0.00 -0.38 -1.78 103.07 105.68 3g3e h GLY 331 Ca -0.03 -0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 3g3e h GLY 331 CO 0.14 0.06 -0.57 3.21 0.00 0.00 0.00 176.54 179.38 3g3e h ARG 332 N 0.06 0.65 -0.88 4.80 3.08 -0.98 -1.70 114.38 119.41 3g3e h ARG 332 Ca 0.00 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3g3e h ARG 332 Cb 0.72 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3g3e h ARG 332 CO 0.05 1.04 0.49 0.82 -1.07 0.00 0.00 179.97 181.30 3g3e h ILE 333 N 0.49 1.25 -0.43 2.04 2.04 -1.06 -2.18 117.51 119.67 3g3e h ILE 333 Ca 0.01 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3g3e h ILE 333 Cb 1.14 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3g3e h ILE 333 CO 0.11 0.28 -0.08 -0.07 0.00 0.00 0.00 178.15 178.39 3g3e h LEU 334 N 1.23 0.81 -1.13 1.44 3.38 -1.12 -2.05 115.31 117.88 3g3e h LEU 334 Ca 0.31 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g3e h LEU 334 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3g3e h LEU 334 CO -0.05 0.98 0.00 -0.33 0.09 0.00 0.00 178.44 179.12 3g3e h GLU 335 N 0.64 0.00 0.06 1.13 4.39 -1.02 0.15 114.58 119.92 3g3e h GLU 335 Ca 0.11 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.50 3g3e h GLU 335 Cb 0.61 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3g3e h GLU 335 CO 0.04 0.00 -1.71 0.93 -1.16 0.00 0.00 179.01 177.11 3g3e h GLU 336 N 0.00 0.13 -0.00 2.33 5.08 -0.93 -3.21 114.58 117.99 3g3e h GLU 336 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3g3e h GLU 336 Cb 0.27 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3g3e h GLU 336 CO 0.00 0.87 -0.00 1.63 -1.00 0.00 0.00 179.01 180.50 3g3e n LYS 337 N -3.28 0.74 -3.84 2.33 5.02 -0.74 -4.86 118.16 113.53 3g3e n LYS 337 Ca -0.20 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.85 3g3e n LYS 337 Cb 1.04 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 3g3e n LYS 337 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g3e n LYS 338 N -1.13 -4.03 -0.82 1.97 5.02 -0.44 -4.86 118.16 113.88 3g3e n LYS 338 Ca 0.20 0.50 -0.04 0.00 -2.02 0.00 0.00 58.31 56.94 3g3e n LYS 338 Cb 0.17 -4.83 0.24 0.00 -0.02 0.00 0.00 35.03 30.59 3g3e n LYS 338 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g3e n LEU 339 N -4.35 4.87 0.00 -0.35 4.32 0.39 -5.01 117.00 116.87 3g3e n LEU 339 Ca -0.30 -3.44 0.00 0.00 -0.02 0.00 0.00 56.01 52.25 3g3e n LEU 339 Cb 0.68 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 3g3e n LEU 339 CO 0.72 0.98 0.00 -0.24 -1.22 0.00 0.00 177.39 177.63