#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n GLY 3 N 0.00 0.52 0.21 7.55 0.00 -1.26 -5.09 105.19 107.12 3i4m n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i4m n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i4m n GLN 4 N 0.00 0.00 -2.31 1.61 6.02 -1.26 -4.67 117.38 116.77 3i4m n GLN 4 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i4m n GLN 4 Cb 0.00 -0.21 -0.00 0.00 1.02 0.00 0.00 30.24 31.05 3i4m n GLN 4 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3i4m n GLN 5 N -1.08 -4.20 -1.81 -1.09 7.27 -1.26 -4.91 117.38 110.29 3i4m n GLN 5 Ca 0.00 3.05 -0.37 0.00 0.07 0.00 0.00 57.00 59.75 3i4m n GLN 5 Cb 0.47 -3.94 0.05 0.00 2.41 0.00 0.00 30.24 29.23 3i4m n GLN 5 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 3i4m s TYR 6 N -0.49 2.22 -0.04 3.69 5.04 -1.26 -5.04 117.35 121.47 3i4m s TYR 6 Ca -0.01 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 3i4m s TYR 6 Cb 0.00 -3.71 0.03 0.00 0.35 0.00 0.00 41.96 38.63 3i4m s TYR 6 CO 0.03 -2.79 -0.01 -1.54 -1.34 0.00 0.00 175.55 169.90 3i4m s SER 7 N -1.23 0.77 0.00 4.32 1.04 -1.26 -5.00 113.70 112.34 3i4m s SER 7 Ca 0.77 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.14 3i4m s SER 7 Cb -0.38 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.43 3i4m s SER 7 CO 0.42 -0.11 0.14 -1.54 0.98 0.00 0.00 173.24 173.14 3i4m n SER 8 N 4.30 0.00 -4.59 7.02 3.41 -1.26 -4.66 113.62 117.85 3i4m n SER 8 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 3i4m n SER 8 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3i4m n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m s ALA 9 N -1.74 2.68 0.12 7.33 0.00 -1.26 -4.91 121.76 123.98 3i4m s ALA 9 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 51.96 51.88 3i4m s ALA 9 Cb 0.00 -4.08 -0.14 0.00 0.00 0.00 0.00 23.12 18.90 3i4m s ALA 9 CO 0.00 -2.92 1.54 -0.35 0.00 0.00 0.00 175.76 174.03 3i4m n PRO 10 N 8.62 1.90 -4.25 0.00 -0.04 -1.26 -4.93 135.00 135.04 3i4m n PRO 10 Ca 0.25 0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 64.08 3i4m n PRO 10 Cb 0.47 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.42 3i4m n PRO 10 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3i4m s LEU 11 N 1.04 3.51 0.00 1.53 0.05 -1.26 -5.11 118.68 118.44 3i4m s LEU 11 Ca 0.81 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.95 3i4m s LEU 11 Cb -0.75 -2.06 0.00 0.00 -2.05 0.00 0.00 46.19 41.33 3i4m s LEU 11 CO 0.41 0.26 0.00 0.54 -0.55 0.00 0.00 176.35 177.01 3i4m n ARG 12 N 1.21 0.00 -4.23 1.48 1.74 -1.26 -5.17 116.66 110.43 3i4m n ARG 12 Ca -0.14 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.65 3i4m n ARG 12 Cb 0.52 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.87 3i4m n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i4m s THR 13 N -1.80 3.33 -0.00 0.55 -4.23 -1.26 -5.08 115.64 107.14 3i4m s THR 13 Ca 0.00 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 3i4m s THR 13 Cb 0.00 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 3i4m s THR 13 CO 0.00 0.08 1.12 -0.69 -0.54 0.00 0.00 174.62 174.59 3i4m s VAL 14 N -1.28 4.40 -0.16 2.29 1.01 -1.26 -4.90 120.40 120.50 3i4m s VAL 14 Ca 0.22 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 3i4m s VAL 14 Cb -0.11 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 3i4m s VAL 14 CO 0.14 0.08 -0.24 0.29 0.00 0.00 0.00 175.10 175.37 3i4m n LYS 15 N 4.38 0.39 -4.11 2.72 4.76 -1.26 -5.00 118.16 120.05 3i4m n LYS 15 Ca 0.09 0.17 -0.27 0.00 -2.87 0.00 0.00 58.31 55.43 3i4m n LYS 15 Cb 0.48 -1.17 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 3i4m n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i4m s GLU 16 N -2.44 2.78 -0.20 1.97 2.02 -1.26 -3.74 118.70 117.83 3i4m s GLU 16 Ca -0.25 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 3i4m s GLU 16 Cb 0.08 -2.58 0.05 0.00 0.10 0.00 0.00 34.13 31.78 3i4m s GLU 16 CO 0.32 0.48 -0.02 0.08 0.02 0.00 0.00 175.26 176.15 3i4m s VAL 17 N -1.71 1.00 -0.35 2.63 1.01 -0.39 -4.91 120.40 117.68 3i4m s VAL 17 Ca 0.30 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3i4m s VAL 17 Cb -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3i4m s VAL 17 CO 0.22 -0.07 0.22 -1.10 0.00 0.00 0.00 175.10 174.37 3i4m s GLN 18 N 1.65 3.17 0.02 2.72 -1.52 -1.26 -0.06 119.66 124.38 3i4m s GLN 18 Ca -0.02 -0.85 -0.18 0.00 -1.95 0.00 0.00 55.36 52.35 3i4m s GLN 18 Cb -0.17 -3.75 -0.06 0.00 -0.22 0.00 0.00 33.01 28.81 3i4m s GLN 18 CO -0.07 -0.56 0.53 -0.06 -0.25 0.00 0.00 175.29 174.88 3i4m s PHE 19 N 1.64 3.73 0.00 0.91 0.40 -0.80 -5.02 117.98 118.84 3i4m s PHE 19 Ca 0.04 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 3i4m s PHE 19 Cb -0.18 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 40.86 3i4m s PHE 19 CO 0.08 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.91 3i4m n GLY 20 N 2.08 4.35 3.00 4.36 0.00 -1.26 -3.74 105.19 113.97 3i4m n GLY 20 Ca -0.10 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 3i4m n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4m s LEU 21 N 0.00 0.49 0.54 0.99 1.43 0.21 -4.33 118.68 118.01 3i4m s LEU 21 Ca 0.00 0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 53.32 3i4m s LEU 21 Cb 0.00 0.58 -0.06 0.00 0.03 0.00 0.00 46.19 46.75 3i4m s LEU 21 CO 0.00 -0.16 1.25 0.49 0.23 0.00 0.00 176.35 178.16 3i4m n PHE 22 N 4.28 1.92 -3.90 0.29 3.01 -1.26 -4.65 117.46 117.15 3i4m n PHE 22 Ca -0.25 0.45 -0.35 0.00 1.01 0.00 0.00 57.45 58.31 3i4m n PHE 22 Cb 0.52 -2.31 -0.10 0.00 -0.01 0.00 0.00 39.48 37.58 3i4m n PHE 22 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i4m s SER 23 N -0.94 5.71 0.25 4.37 1.04 -1.26 -4.91 113.70 117.96 3i4m s SER 23 Ca 0.71 0.07 0.08 0.00 0.48 0.00 0.00 55.95 57.30 3i4m s SER 23 Cb -0.43 -1.99 0.76 0.00 0.10 0.00 0.00 66.02 64.45 3i4m s SER 23 CO 0.50 0.14 1.15 -2.65 0.98 0.00 0.00 173.24 173.35 3i4m n PRO 24 N 3.78 -0.05 0.16 4.02 -0.02 -1.26 0.61 135.00 142.24 3i4m n PRO 24 Ca -0.16 1.05 -0.14 0.00 -2.02 0.00 0.00 63.50 62.23 3i4m n PRO 24 Cb 0.52 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 3i4m n PRO 24 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i4m h GLU 25 N 0.00 -0.39 -0.02 -0.52 3.07 -1.96 -0.31 114.58 114.45 3i4m h GLU 25 Ca 0.53 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.44 3i4m h GLU 25 Cb 1.26 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 29.20 3i4m h GLU 25 CO -0.63 -0.26 -0.44 1.49 -1.40 0.00 0.00 179.01 177.77 3i4m h GLU 26 N -0.40 -0.57 -1.12 2.33 4.81 -0.23 1.02 114.58 120.42 3i4m h GLU 26 Ca -0.02 0.04 0.41 0.00 -0.13 0.00 0.00 59.36 59.66 3i4m h GLU 26 Cb 0.35 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.70 3i4m h GLU 26 CO 0.00 -0.38 0.66 0.28 -0.73 0.00 0.00 179.01 178.84 3i4m h VAL 27 N -0.59 0.10 0.28 0.32 2.07 -0.96 0.22 116.25 117.69 3i4m h VAL 27 Ca 0.04 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3i4m h VAL 27 Cb 0.67 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3i4m h VAL 27 CO -0.34 0.02 -0.14 -0.09 0.02 0.00 0.00 177.57 177.04 3i4m h ARG 28 N 0.10 -0.36 -0.81 1.57 2.43 0.24 -2.41 114.38 115.13 3i4m h ARG 28 Ca 0.82 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 60.09 3i4m h ARG 28 Cb 2.25 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 31.78 3i4m h ARG 28 CO -0.62 -0.24 -0.57 0.00 -1.51 0.00 0.00 179.97 177.04 3i4m h ALA 29 N -1.43 -0.60 -0.77 2.80 0.00 0.34 -0.21 119.26 119.39 3i4m h ALA 29 Ca -0.04 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3i4m h ALA 29 Cb 0.29 1.30 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 3i4m h ALA 29 CO 0.06 -0.97 0.15 0.82 0.00 0.00 0.00 179.25 179.31 3i4m h ILE 30 N -0.11 0.43 -3.51 0.00 2.04 -0.86 -3.44 117.51 112.06 3i4m h ILE 30 Ca 0.13 -0.07 -0.56 0.00 1.00 0.00 0.00 64.86 65.36 3i4m h ILE 30 Cb 0.45 0.20 0.12 0.00 -0.74 0.00 0.00 36.82 36.84 3i4m h ILE 30 CO -0.82 0.04 0.53 -0.24 0.00 0.00 0.00 178.15 177.66 3i4m n SER 31 N -5.22 2.77 -0.04 1.72 2.88 -0.09 -4.85 113.62 110.79 3i4m n SER 31 Ca 0.15 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.83 3i4m n SER 31 Cb 0.51 -1.51 -0.08 0.00 -0.75 0.00 0.00 64.21 62.38 3i4m n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3i4m n VAL 32 N 0.06 0.51 -4.01 2.46 0.24 -0.87 -4.97 118.33 111.75 3i4m n VAL 32 Ca 0.05 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.61 3i4m n VAL 32 Cb 0.38 -0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 32.22 3i4m n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i4m s ALA 33 N -2.41 3.45 -0.31 2.33 0.00 -1.26 -4.85 121.76 118.71 3i4m s ALA 33 Ca -0.05 -0.74 0.27 0.00 0.00 0.00 0.00 51.96 51.45 3i4m s ALA 33 Cb 0.04 -1.90 0.84 0.00 0.00 0.00 0.00 23.12 22.10 3i4m s ALA 33 CO 0.44 0.26 1.77 0.87 0.00 0.00 0.00 175.76 179.11 3i4m h LYS 34 N 6.39 0.00 -6.43 0.00 6.56 -1.90 -2.15 116.57 119.04 3i4m h LYS 34 Ca -0.40 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 58.79 3i4m h LYS 34 Cb 1.17 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.85 3i4m h LYS 34 CO 0.68 0.00 -1.16 -0.89 -2.06 0.00 0.00 179.45 176.03 3i4m n ILE 35 N -2.86 -3.55 -0.10 1.86 2.08 -1.24 -4.63 119.36 110.93 3i4m n ILE 35 Ca 0.03 0.05 -0.18 0.00 0.56 0.00 0.00 62.75 63.22 3i4m n ILE 35 Cb 0.40 -3.23 -0.08 0.00 -0.75 0.00 0.00 39.64 35.98 3i4m n ILE 35 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i4m n ARG 36 N -0.60 0.44 -2.72 0.38 1.74 -0.96 -4.76 116.66 110.18 3i4m n ARG 36 Ca -0.13 0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 3i4m n ARG 36 Cb 0.66 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3i4m n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i4m s PHE 37 N -2.37 3.79 -0.02 -1.55 0.40 -1.25 -4.97 117.98 112.01 3i4m s PHE 37 Ca -0.27 1.83 -0.07 0.00 -0.60 0.00 0.00 56.93 57.82 3i4m s PHE 37 Cb 0.09 -3.00 -0.29 0.00 0.51 0.00 0.00 43.02 40.32 3i4m s PHE 37 CO 0.39 0.18 0.78 -1.00 0.70 0.00 0.00 175.22 176.28 3i4m h PRO 38 N 3.64 0.33 -6.43 0.24 0.13 -1.90 -3.17 132.00 124.83 3i4m h PRO 38 Ca -0.46 -0.56 -0.60 0.00 -0.87 0.00 0.00 66.00 63.50 3i4m h PRO 38 Cb 1.20 0.21 0.13 0.00 0.13 0.00 0.00 31.00 32.67 3i4m h PRO 38 CO 0.66 1.22 -0.11 -0.85 -0.23 0.00 0.00 178.00 178.69 3i4m n GLU 39 N -3.52 0.95 -0.06 0.86 0.28 -1.26 -4.66 120.64 113.23 3i4m n GLU 39 Ca -0.20 0.34 -0.08 0.00 -0.16 0.00 0.00 57.16 57.06 3i4m n GLU 39 Cb 1.06 -1.70 -0.05 0.00 1.43 0.00 0.00 31.44 32.18 3i4m n GLU 39 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3i4m h THR 40 N 1.35 0.00 0.00 3.84 2.02 -1.90 -3.36 112.91 114.86 3i4m h THR 40 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3i4m h THR 40 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i4m h THR 40 CO 0.56 0.00 0.00 1.15 0.37 0.00 0.00 175.52 177.60 3i4m n MET 41 N -4.16 0.00 -2.36 6.66 0.00 -1.26 -4.21 117.12 111.79 3i4m n MET 41 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.67 3i4m n MET 41 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.40 3i4m n MET 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3i4m n ASP 42 N 0.00 -5.71 -3.40 3.17 2.03 -1.21 -4.15 116.55 107.28 3i4m n ASP 42 Ca 0.00 1.53 -0.16 0.00 0.52 0.00 0.00 54.79 56.67 3i4m n ASP 42 Cb 0.00 -4.07 -0.04 0.00 -0.72 0.00 0.00 41.12 36.29 3i4m n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i4m n GLU 43 N 1.92 0.00 -3.20 -0.67 1.02 0.20 -3.74 120.64 116.18 3i4m n GLU 43 Ca -0.06 -0.54 -0.21 0.00 -0.02 0.00 0.00 57.16 56.32 3i4m n GLU 43 Cb 0.10 -1.90 0.02 0.00 -0.02 0.00 0.00 31.44 29.64 3i4m n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3i4m n THR 44 N 5.16 -6.54 0.00 2.62 -1.04 -1.26 -2.46 114.28 110.75 3i4m n THR 44 Ca 0.17 0.54 0.00 0.00 -2.04 0.00 0.00 64.05 62.72 3i4m n THR 44 Cb 0.19 -4.90 0.00 0.00 -1.82 0.00 0.00 70.33 63.80 3i4m n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n GLN 45 N 0.06 0.00 -1.68 -2.82 6.02 -1.25 -4.92 117.38 112.80 3i4m n GLN 45 Ca -0.01 0.00 -0.48 0.00 -0.01 0.00 0.00 57.00 56.51 3i4m n GLN 45 Cb 0.53 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.75 3i4m n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3i4m n THR 46 N 0.00 0.60 -2.00 5.09 -1.04 -1.03 -4.87 114.28 111.03 3i4m n THR 46 Ca 0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.48 3i4m n THR 46 Cb 0.00 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 3i4m n THR 46 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i4m s ARG 47 N 4.18 4.25 0.00 -2.82 0.52 -1.26 0.61 118.95 124.43 3i4m s ARG 47 Ca 0.93 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 58.45 3i4m s ARG 47 Cb -0.67 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 31.67 3i4m s ARG 47 CO 0.51 -0.48 0.00 0.00 0.02 0.00 0.00 175.30 175.35 3i4m n ALA 48 N 2.89 0.00 -3.45 2.13 0.00 -1.26 -4.77 120.51 116.06 3i4m n ALA 48 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3i4m n ALA 48 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 3i4m n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i4m s LYS 49 N -1.63 0.30 0.17 0.00 1.02 -1.26 -3.30 119.74 115.04 3i4m s LYS 49 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 3i4m s LYS 49 Cb 0.00 0.04 -0.07 0.00 -0.52 0.00 0.00 37.83 37.28 3i4m s LYS 49 CO 0.00 -0.10 0.96 0.42 -0.92 0.00 0.00 175.35 175.71 3i4m s ILE 50 N 0.73 4.29 -0.24 2.17 1.01 -1.26 -4.71 121.20 123.19 3i4m s ILE 50 Ca -0.05 2.05 -0.28 0.00 0.00 0.00 0.00 60.65 62.37 3i4m s ILE 50 Cb -0.06 -4.31 -0.31 0.00 0.01 0.00 0.00 42.46 37.80 3i4m s ILE 50 CO -0.05 0.39 1.69 0.61 0.00 0.00 0.00 174.94 177.58 3i4m n GLY 51 N 1.93 1.18 1.25 6.18 0.00 -1.26 -3.57 105.19 110.90 3i4m n GLY 51 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3i4m n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 52 N 4.84 -0.14 3.33 -0.02 0.00 -1.26 -4.72 105.19 107.21 3i4m n GLY 52 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 3i4m n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4m s LEU 53 N -3.96 2.29 -0.13 0.99 0.20 -1.20 -2.27 118.68 114.60 3i4m s LEU 53 Ca 0.00 -1.17 -0.01 0.00 0.69 0.00 0.00 54.13 53.64 3i4m s LEU 53 Cb 0.00 -0.33 0.00 0.00 -0.43 0.00 0.00 46.19 45.43 3i4m s LEU 53 CO 0.00 -0.45 0.02 -3.20 -0.29 0.00 0.00 176.35 172.43 3i4m n ASN 54 N -0.39 -6.67 -3.20 3.68 5.15 -1.26 -4.33 115.26 108.24 3i4m n ASN 54 Ca -0.06 0.94 -0.15 0.00 -0.60 0.00 0.00 54.58 54.71 3i4m n ASN 54 Cb 0.63 -3.35 0.08 0.00 -0.53 0.00 0.00 39.78 36.61 3i4m n ASN 54 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3i4m n ASP 55 N 1.24 -2.83 -0.01 1.20 2.03 -1.26 -4.66 116.55 112.26 3i4m n ASP 55 Ca -0.04 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.69 3i4m n ASP 55 Cb 0.28 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 3i4m n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3i4m n PRO 56 N -3.72 1.00 0.00 -0.67 -0.02 -1.26 -4.55 135.00 125.77 3i4m n PRO 56 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3i4m n PRO 56 Cb 0.65 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 3i4m n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i4m n ARG 57 N -0.49 0.00 -0.64 -0.52 3.00 -1.26 -4.86 116.66 111.89 3i4m n ARG 57 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 3i4m n ARG 57 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 3i4m n ARG 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3i4m n LEU 58 N 0.00 0.00 -4.14 0.55 4.77 -1.26 -3.91 117.00 113.01 3i4m n LEU 58 Ca 0.00 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 3i4m n LEU 58 Cb 0.00 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 40.72 3i4m n LEU 58 CO 0.00 -1.89 -1.13 0.61 -1.33 0.00 0.00 177.39 173.65 3i4m n GLY 59 N 2.40 -3.36 3.60 -0.72 0.00 -1.26 -4.63 105.19 101.23 3i4m n GLY 59 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3i4m n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4m s SER 60 N -1.36 3.50 0.41 1.61 1.04 -1.26 -4.29 113.70 113.36 3i4m s SER 60 Ca 0.45 -1.46 0.07 0.00 0.48 0.00 0.00 55.95 55.50 3i4m s SER 60 Cb -0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3i4m s SER 60 CO 0.73 -0.62 0.24 -0.63 0.98 0.00 0.00 173.24 173.94 3i4m s ILE 61 N -2.92 2.41 -0.28 -1.02 1.01 -1.26 -4.81 121.20 114.33 3i4m s ILE 61 Ca 0.28 -1.59 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 3i4m s ILE 61 Cb 0.07 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3i4m s ILE 61 CO 0.14 -0.00 0.07 -0.67 0.00 0.00 0.00 174.94 174.48 3i4m n ASP 62 N -1.33 -7.29 -0.11 3.58 -0.08 -1.26 -4.40 116.55 105.65 3i4m n ASP 62 Ca 0.00 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 3i4m n ASP 62 Cb 0.64 -4.82 0.00 0.00 2.34 0.00 0.00 41.12 39.27 3i4m n ASP 62 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3i4m n ARG 63 N 0.50 0.00 -3.43 -0.67 1.85 -1.26 -4.85 116.66 108.80 3i4m n ARG 63 Ca 0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.71 3i4m n ARG 63 Cb 0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.36 3i4m n ARG 63 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3i4m s ASN 64 N -0.02 1.13 0.11 2.89 0.01 -1.26 -5.01 114.94 112.78 3i4m s ASN 64 Ca 0.00 -0.23 -0.17 0.00 -0.71 0.00 0.00 52.86 51.74 3i4m s ASN 64 Cb 0.00 0.62 0.00 0.00 0.41 0.00 0.00 41.25 42.29 3i4m s ASN 64 CO 0.00 -0.34 0.96 0.18 -1.51 0.00 0.00 177.10 176.39 3i4m n LEU 65 N 5.33 -0.60 -2.28 0.60 4.77 -1.26 -4.43 117.00 119.13 3i4m n LEU 65 Ca -0.04 1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 56.76 3i4m n LEU 65 Cb 0.49 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3i4m n LEU 65 CO 0.06 -0.92 0.16 0.29 -1.33 0.00 0.00 177.39 175.65 3i4m n LYS 66 N -4.81 0.00 0.00 3.23 5.02 -1.26 -3.78 118.16 116.56 3i4m n LYS 66 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3i4m n LYS 66 Cb 0.18 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3i4m n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m n GLN 68 N 0.00 -0.95 0.00 0.00 -0.00 -1.25 -2.42 117.38 112.76 3i4m n GLN 68 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 3i4m n GLN 68 Cb 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 30.24 27.77 3i4m n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3i4m n THR 69 N -3.74 0.00 0.04 -0.39 -1.04 -1.26 -4.59 114.28 103.30 3i4m n THR 69 Ca -0.22 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.83 3i4m n THR 69 Cb 0.63 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.20 3i4m n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n GLN 71 N -1.51 0.00 -2.71 0.00 10.64 -1.25 -4.90 117.38 117.65 3i4m n GLN 71 Ca 0.03 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.19 3i4m n GLN 71 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.81 3i4m n GLN 71 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i4m n GLU 72 N 8.65 -1.07 -0.92 2.61 -0.58 -1.26 -4.59 120.64 123.49 3i4m n GLU 72 Ca 0.00 1.22 -0.31 0.00 -0.42 0.00 0.00 57.16 57.65 3i4m n GLU 72 Cb 0.00 -4.77 -0.01 0.00 -0.57 0.00 0.00 31.44 26.08 3i4m n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i4m n GLY 73 N -1.57 -1.48 0.78 0.62 0.00 -1.26 -3.26 105.19 99.02 3i4m n GLY 73 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i4m n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i4m n MET 74 N 0.78 0.00 -2.00 1.61 2.81 -1.26 -4.09 117.12 114.97 3i4m n MET 74 Ca 0.10 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.56 3i4m n MET 74 Cb 0.21 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.70 3i4m n MET 74 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3i4m s ASN 75 N -0.52 6.25 0.00 7.83 3.84 -1.26 -3.09 114.94 127.99 3i4m s ASN 75 Ca 0.00 1.76 0.00 0.00 0.21 0.00 0.00 52.86 54.83 3i4m s ASN 75 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 3i4m s ASN 75 CO 0.00 -1.34 0.00 1.21 -2.79 0.00 0.00 177.10 174.18 3i4m n GLU 76 N 7.81 0.00 -2.02 0.43 4.07 -1.26 -4.96 120.64 124.71 3i4m n GLU 76 Ca 0.20 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.97 3i4m n GLU 76 Cb 0.45 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.79 3i4m n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i4m n PRO 78 N 9.04 -2.20 -0.80 0.00 -0.04 -1.26 -4.85 135.00 134.89 3i4m n PRO 78 Ca 0.30 -0.58 -0.30 0.00 -0.04 0.00 0.00 63.50 62.88 3i4m n PRO 78 Cb 0.50 -0.60 0.18 0.00 -0.04 0.00 0.00 33.50 33.54 3i4m n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3i4m s GLY 79 N -2.91 1.63 -0.44 0.55 0.00 -1.26 -4.67 107.32 100.22 3i4m s GLY 79 Ca 0.24 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.19 3i4m s GLY 79 CO 0.19 0.73 0.28 0.30 0.00 0.00 0.00 173.10 174.60 3i4m s HIS 80 N -2.67 1.66 0.38 1.90 3.76 -1.26 -4.84 115.29 114.22 3i4m s HIS 80 Ca 0.66 -2.30 -0.21 0.00 -0.15 0.00 0.00 55.06 53.06 3i4m s HIS 80 Cb -0.22 -1.54 -0.15 0.00 1.11 0.00 0.00 32.58 31.77 3i4m s HIS 80 CO 0.60 -0.78 0.11 1.19 -0.85 0.00 0.00 174.74 175.01 3i4m n PHE 81 N 3.37 -1.95 -4.67 1.40 3.01 -1.26 -4.31 117.46 113.04 3i4m n PHE 81 Ca 0.15 0.63 -0.30 0.00 1.01 0.00 0.00 57.45 58.94 3i4m n PHE 81 Cb 0.38 -1.75 -0.08 0.00 -0.01 0.00 0.00 39.48 38.02 3i4m n PHE 81 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3i4m s GLY 82 N -0.98 2.89 0.36 1.37 0.00 -0.99 -2.06 107.32 107.92 3i4m s GLY 82 Ca 0.58 -0.66 0.06 0.00 0.00 0.00 0.00 44.72 44.70 3i4m s GLY 82 CO 0.61 -2.06 0.23 -2.39 0.00 0.00 0.00 173.10 169.49 3i4m n HIS 83 N -1.14 -0.43 -3.00 1.90 1.44 -0.81 0.20 115.22 113.38 3i4m n HIS 83 Ca -0.14 -2.75 0.01 0.00 -2.01 0.00 0.00 57.72 52.82 3i4m n HIS 83 Cb 0.66 0.18 -0.00 0.00 0.12 0.00 0.00 29.99 30.95 3i4m n HIS 83 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 3i4m s ILE 84 N -3.26 -0.71 -0.44 0.61 2.07 -0.73 -3.83 121.20 114.91 3i4m s ILE 84 Ca 0.33 -0.10 -0.42 0.00 -1.41 0.00 0.00 60.65 59.04 3i4m s ILE 84 Cb 0.02 0.00 -0.17 0.00 0.13 0.00 0.00 42.46 42.44 3i4m s ILE 84 CO 0.23 0.00 2.05 0.47 -1.91 0.00 0.00 174.94 175.78 3i4m n ASP 85 N 3.96 1.28 -3.78 4.50 8.00 -1.26 -3.26 116.55 125.98 3i4m n ASP 85 Ca 0.10 0.72 -0.30 0.00 0.71 0.00 0.00 54.79 56.02 3i4m n ASP 85 Cb 0.59 -1.00 0.28 0.00 -0.02 0.00 0.00 41.12 40.97 3i4m n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i4m s LEU 86 N 5.70 -0.46 -0.19 0.64 1.43 -0.72 -4.96 118.68 120.12 3i4m s LEU 86 Ca 1.14 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3i4m s LEU 86 Cb -1.31 -2.61 -0.21 0.00 0.03 0.00 0.00 46.19 42.08 3i4m s LEU 86 CO 0.64 -4.97 0.07 0.00 0.23 0.00 0.00 176.35 172.32 3i4m n ALA 87 N -5.39 1.22 -3.11 4.21 0.00 -1.26 -4.97 120.51 111.22 3i4m n ALA 87 Ca 0.09 -0.90 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 3i4m n ALA 87 Cb 0.58 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 3i4m n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i4m s LYS 88 N -2.54 0.35 0.26 0.00 1.02 -1.26 -4.99 119.74 112.59 3i4m s LYS 88 Ca -0.27 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 3i4m s LYS 88 Cb 0.08 0.16 -0.14 0.00 -0.52 0.00 0.00 37.83 37.41 3i4m s LYS 88 CO 0.69 -0.07 1.25 -0.35 -0.92 0.00 0.00 175.35 175.96 3i4m n PRO 89 N 2.40 1.76 -4.51 -1.68 -0.04 -1.26 -4.94 135.00 126.72 3i4m n PRO 89 Ca -0.16 0.62 -0.22 0.00 -0.04 0.00 0.00 63.50 63.70 3i4m n PRO 89 Cb 0.57 -2.17 -0.15 0.00 -0.04 0.00 0.00 33.50 31.71 3i4m n PRO 89 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i4m s VAL 90 N -0.56 0.95 0.87 0.52 1.01 -1.02 -4.66 120.40 117.52 3i4m s VAL 90 Ca 0.64 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3i4m s VAL 90 Cb -0.67 -0.83 0.08 0.00 0.00 0.00 0.00 36.38 34.96 3i4m s VAL 90 CO 0.55 0.29 0.93 0.49 0.00 0.00 0.00 175.10 177.36 3i4m n PHE 91 N 3.17 0.28 -3.44 5.22 3.72 -1.26 -2.07 117.46 123.07 3i4m n PHE 91 Ca -0.17 0.36 -0.43 0.00 -0.05 0.00 0.00 57.45 57.15 3i4m n PHE 91 Cb 0.54 -1.98 -0.09 0.00 -0.94 0.00 0.00 39.48 37.01 3i4m n PHE 91 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3i4m s HIS 92 N -2.33 3.23 0.15 1.38 5.65 -1.19 -4.75 115.29 117.43 3i4m s HIS 92 Ca 0.67 -0.63 0.12 0.00 0.25 0.00 0.00 55.06 55.47 3i4m s HIS 92 Cb -0.26 -2.71 0.50 0.00 -1.18 0.00 0.00 32.58 28.93 3i4m s HIS 92 CO 0.58 -0.64 0.50 0.28 -0.65 0.00 0.00 174.74 174.81 3i4m n VAL 93 N 5.19 -0.06 -0.04 0.89 0.31 -1.26 -0.41 118.33 122.96 3i4m n VAL 93 Ca -0.11 0.54 -0.22 0.00 -0.01 0.00 0.00 64.34 64.55 3i4m n VAL 93 Cb 0.46 -0.90 -0.13 0.00 -0.91 0.00 0.00 33.84 32.37 3i4m n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i4m h GLY 94 N 0.00 0.17 2.00 2.92 0.00 -1.93 -3.37 103.07 102.86 3i4m h GLY 94 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3i4m h GLY 94 CO -0.10 0.38 0.00 0.69 0.00 0.00 0.00 176.54 177.50 3i4m n PHE 95 N -3.99 0.45 -0.05 5.60 0.99 0.46 -4.19 117.46 116.73 3i4m n PHE 95 Ca -0.30 0.16 -0.01 0.00 -0.00 0.00 0.00 57.45 57.29 3i4m n PHE 95 Cb 0.86 -0.76 -0.01 0.00 -1.00 0.00 0.00 39.48 38.57 3i4m n PHE 95 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 3i4m n ILE 96 N -1.89 -0.08 -0.26 4.37 0.13 -0.86 0.11 119.36 120.89 3i4m n ILE 96 Ca 0.04 0.59 0.04 0.00 -1.10 0.00 0.00 62.75 62.32 3i4m n ILE 96 Cb 0.26 -0.76 0.18 0.00 -0.84 0.00 0.00 39.64 38.48 3i4m n ILE 96 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i4m h ALA 97 N -0.16 1.05 -0.02 1.51 0.00 -1.89 0.79 119.26 120.54 3i4m h ALA 97 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3i4m h ALA 97 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3i4m h ALA 97 CO -0.11 -0.16 -0.55 -0.22 0.00 0.00 0.00 179.25 178.22 3i4m h LYS 98 N 0.50 0.07 -0.43 0.00 3.64 0.50 0.63 116.57 121.48 3i4m h LYS 98 Ca 0.40 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 3i4m h LYS 98 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3i4m h LYS 98 CO -0.36 0.60 -0.00 0.82 -2.27 0.00 0.00 179.45 178.23 3i4m h ILE 99 N 0.05 1.23 0.20 2.00 2.04 0.20 0.21 117.51 123.44 3i4m h ILE 99 Ca -0.00 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3i4m h ILE 99 Cb 0.98 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3i4m h ILE 99 CO 0.07 0.33 -0.10 0.50 0.00 0.00 0.00 178.15 178.96 3i4m h LYS 100 N 0.65 -0.26 -0.09 2.37 3.64 -0.49 -2.43 116.57 119.97 3i4m h LYS 100 Ca 0.13 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3i4m h LYS 100 Cb 0.41 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3i4m h LYS 100 CO 0.02 0.10 0.18 0.87 -2.27 0.00 0.00 179.45 178.34 3i4m h LYS 101 N -0.94 0.00 0.23 1.90 1.57 0.36 0.33 116.57 120.03 3i4m h LYS 101 Ca -0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 3i4m h LYS 101 Cb 0.48 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.81 3i4m h LYS 101 CO 0.04 0.00 -1.58 0.28 -0.57 0.00 0.00 179.45 177.62 3i4m h VAL 102 N 0.00 1.16 -0.51 0.50 2.07 -0.60 -3.20 116.25 115.68 3i4m h VAL 102 Ca 0.04 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 3i4m h VAL 102 Cb 0.40 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3i4m h VAL 102 CO -0.00 0.83 0.21 0.00 0.02 0.00 0.00 177.57 178.63 3i4m n GLU 104 N -4.55 0.00 -0.08 0.00 1.02 0.98 -1.63 120.64 116.37 3i4m n GLU 104 Ca 0.02 0.45 -0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3i4m n GLU 104 Cb 0.15 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 3i4m n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4m s VAL 106 N -2.45 2.28 0.00 0.00 1.01 -0.60 -3.60 120.40 117.04 3i4m s VAL 106 Ca -0.08 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.20 3i4m s VAL 106 Cb 0.05 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3i4m s VAL 106 CO 0.71 0.00 0.04 0.00 0.00 0.00 0.00 175.10 175.85 3i4m s MET 108 N -1.71 1.22 0.00 0.00 1.00 -1.26 -0.93 119.30 117.62 3i4m s MET 108 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 55.69 56.03 3i4m s MET 108 Cb -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 34.83 32.85 3i4m s MET 108 CO 0.13 -2.11 0.00 0.72 0.00 0.00 0.00 175.02 173.76 3i4m n HIS 109 N -3.67 0.00 -0.14 -0.03 8.25 -1.26 -4.20 115.22 114.17 3i4m n HIS 109 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 3i4m n HIS 109 Cb 0.60 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.61 3i4m n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4m n GLY 111 N 1.28 0.67 3.33 0.00 0.00 -0.11 -4.58 105.19 105.78 3i4m n GLY 111 Ca -0.54 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 3i4m n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i4m s LYS 112 N -3.25 1.28 0.74 1.61 2.20 -1.26 -2.96 119.74 118.09 3i4m s LYS 112 Ca 0.00 -1.41 -0.16 0.00 -0.36 0.00 0.00 55.97 54.04 3i4m s LYS 112 Cb 0.00 -1.33 -0.00 0.00 -1.51 0.00 0.00 37.83 34.99 3i4m s LYS 112 CO 0.00 0.27 0.80 1.28 -0.36 0.00 0.00 175.35 177.33 3i4m n LEU 113 N 0.28 2.39 -1.55 5.43 4.77 -1.26 -2.95 117.00 124.11 3i4m n LEU 113 Ca -0.13 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.56 3i4m n LEU 113 Cb 0.57 -1.33 0.35 0.00 -2.33 0.00 0.00 43.42 40.68 3i4m n LEU 113 CO 0.29 -2.49 0.81 0.18 -1.33 0.00 0.00 177.39 174.86 3i4m n LEU 114 N -1.27 4.78 -3.02 2.23 4.77 -1.24 -4.63 117.00 118.62 3i4m n LEU 114 Ca 0.12 -2.52 -0.06 0.00 -0.03 0.00 0.00 56.01 53.51 3i4m n LEU 114 Cb 0.50 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3i4m n LEU 114 CO 0.49 0.78 0.04 -0.76 -1.33 0.00 0.00 177.39 176.62 3i4m s LEU 115 N -1.98 -1.05 0.87 2.23 1.43 -1.26 -4.93 118.68 113.98 3i4m s LEU 115 Ca 0.50 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.92 3i4m s LEU 115 Cb 0.33 1.55 0.11 0.00 0.03 0.00 0.00 46.19 48.21 3i4m s LEU 115 CO 0.22 -0.12 1.13 -1.81 0.23 0.00 0.00 176.35 176.01 3i4m s ASP 116 N 1.15 3.92 0.61 2.29 1.01 -1.26 -4.82 116.67 119.57 3i4m s ASP 116 Ca 0.25 1.02 0.27 0.00 0.71 0.00 0.00 52.55 54.79 3i4m s ASP 116 Cb -0.03 -1.63 1.17 0.00 1.01 0.00 0.00 42.92 43.45 3i4m s ASP 116 CO -0.07 -2.30 1.58 -0.33 0.21 0.00 0.00 175.17 174.27 3i4m h GLU 117 N -1.32 0.00 -0.98 8.23 3.07 -1.98 0.29 114.58 121.89 3i4m h GLU 117 Ca -0.49 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 58.71 3i4m h GLU 117 Cb 1.32 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.06 3i4m h GLU 117 CO 0.62 0.00 0.46 0.45 -1.40 0.00 0.00 179.01 179.14 3i4m h HIS 118 N 0.00 0.72 -3.37 4.33 3.86 -2.01 -3.32 115.15 115.36 3i4m h HIS 118 Ca 0.33 0.04 -0.58 0.00 -1.16 0.00 0.00 60.37 59.00 3i4m h HIS 118 Cb 2.02 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 30.25 3i4m h HIS 118 CO 0.00 -0.30 0.02 1.21 0.86 0.00 0.00 177.93 179.72 3i4m s ASN 119 N -4.82 6.77 0.05 2.45 3.84 0.10 -4.98 114.94 118.35 3i4m s ASN 119 Ca -0.10 0.93 -0.29 0.00 0.21 0.00 0.00 52.86 53.61 3i4m s ASN 119 Cb 0.31 -2.34 -0.17 0.00 -0.55 0.00 0.00 41.25 38.49 3i4m s ASN 119 CO 0.78 -0.13 1.45 -0.08 -2.79 0.00 0.00 177.10 176.34 3i4m h GLU 120 N 7.00 -0.68 -1.18 0.43 4.81 -1.86 -2.64 114.58 120.46 3i4m h GLU 120 Ca -0.38 0.05 0.41 0.00 -0.13 0.00 0.00 59.36 59.31 3i4m h GLU 120 Cb 1.17 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.56 3i4m h GLU 120 CO 0.76 -0.40 0.72 -0.07 -0.73 0.00 0.00 179.01 179.29 3i4m h LEU 121 N -0.85 0.32 -0.11 1.64 3.38 -1.93 0.85 115.31 118.61 3i4m h LEU 121 Ca -0.07 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i4m h LEU 121 Cb 0.60 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3i4m h LEU 121 CO 0.12 -0.24 0.06 -0.03 0.09 0.00 0.00 178.44 178.44 3i4m h MET 122 N 0.11 0.15 -0.16 1.13 4.05 -1.80 -2.63 114.93 115.78 3i4m h MET 122 Ca 0.81 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 60.27 3i4m h MET 122 Cb 2.32 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 33.03 3i4m h MET 122 CO -0.54 0.17 -0.27 0.00 0.23 0.00 0.00 176.91 176.49 3i4m h ARG 123 N 0.09 -0.31 -0.93 0.39 3.08 0.86 1.39 114.38 118.95 3i4m h ARG 123 Ca 0.04 0.02 0.32 0.00 0.07 0.00 0.00 59.98 60.43 3i4m h ARG 123 Cb 0.06 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.01 3i4m h ARG 123 CO -0.01 -0.21 0.23 1.04 -1.07 0.00 0.00 179.97 179.96 3i4m n GLN 124 N -5.39 -0.07 0.00 0.04 6.02 -0.77 0.56 117.38 117.77 3i4m n GLN 124 Ca -0.02 1.34 -0.21 0.00 -0.01 0.00 0.00 57.00 58.10 3i4m n GLN 124 Cb 0.30 -2.26 -0.14 0.00 1.02 0.00 0.00 30.24 29.17 3i4m n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4m h ALA 125 N 1.86 0.12 0.00 -1.58 0.00 -0.75 -3.30 119.26 115.62 3i4m h ALA 125 Ca 0.67 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i4m h ALA 125 Cb 1.58 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3i4m h ALA 125 CO -0.80 0.67 0.00 1.28 0.00 0.00 0.00 179.25 180.39 3i4m n LEU 126 N -4.05 0.00 0.00 0.00 4.77 0.46 0.13 117.00 118.30 3i4m n LEU 126 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3i4m n LEU 126 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3i4m n LEU 126 CO 0.40 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.48 3i4m n ALA 127 N -0.23 0.33 -2.11 -1.18 0.00 -0.51 -4.96 120.51 111.85 3i4m n ALA 127 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 3i4m n ALA 127 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i4m n ALA 127 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4m s ILE 128 N -0.05 3.58 -0.33 0.00 1.01 0.12 -4.89 121.20 120.64 3i4m s ILE 128 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 60.65 59.39 3i4m s ILE 128 Cb 0.00 -4.52 -0.13 0.00 0.01 0.00 0.00 42.46 37.82 3i4m s ILE 128 CO 0.00 -1.08 2.04 0.29 0.00 0.00 0.00 174.94 176.20 3i4m n LYS 129 N 8.41 1.04 0.00 2.79 5.02 -1.26 -4.11 118.16 130.05 3i4m n LYS 129 Ca 0.44 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3i4m n LYS 129 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 3i4m n LYS 129 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3i4m n ASP 130 N 8.18 0.00 0.00 4.39 -0.08 -1.26 -4.93 116.55 122.85 3i4m n ASP 130 Ca 0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 3i4m n ASP 130 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 3i4m n ASP 130 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3i4m n SER 131 N 0.00 0.00 0.03 1.67 3.41 -1.26 -1.35 113.62 116.12 3i4m n SER 131 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i4m n SER 131 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i4m n SER 131 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i4m n LYS 132 N -0.56 0.00 0.30 4.33 5.02 -1.26 -4.38 118.16 121.62 3i4m n LYS 132 Ca 0.00 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.49 3i4m n LYS 132 Cb 0.00 -0.20 1.09 0.00 -0.02 0.00 0.00 35.03 35.90 3i4m n LYS 132 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i4m h LYS 133 N 0.00 0.00 0.02 1.97 1.57 -1.84 0.51 116.57 118.80 3i4m h LYS 133 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i4m h LYS 133 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i4m h LYS 133 CO 0.00 0.00 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.78 3i4m h ARG 134 N 0.00 -0.02 0.00 3.15 2.43 -1.37 -2.75 114.38 115.82 3i4m h ARG 134 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i4m h ARG 134 Cb 0.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3i4m h ARG 134 CO 0.00 -0.02 0.28 0.34 -1.51 0.00 0.00 179.97 179.06 3i4m n PHE 135 N -3.20 0.23 -0.06 2.20 7.35 -0.74 0.18 117.46 123.42 3i4m n PHE 135 Ca -0.00 0.12 -0.06 0.00 -0.76 0.00 0.00 57.45 56.74 3i4m n PHE 135 Cb 0.01 -0.47 -0.06 0.00 0.35 0.00 0.00 39.48 39.31 3i4m n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i4m h ALA 136 N 1.12 0.00 0.68 3.13 0.00 -0.01 -3.20 119.26 120.97 3i4m h ALA 136 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3i4m h ALA 136 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i4m h ALA 136 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.93 3i4m h ALA 137 N -0.56 -1.07 -0.56 0.00 0.00 0.04 -2.83 119.26 114.28 3i4m h ALA 137 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3i4m h ALA 137 Cb 0.44 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3i4m h ALA 137 CO -0.00 -1.00 -0.25 -0.89 0.00 0.00 0.00 179.25 177.11 3i4m n ILE 138 N -4.84 -0.32 0.43 0.00 5.41 0.40 -0.65 119.36 119.79 3i4m n ILE 138 Ca -0.11 1.32 -0.18 0.00 1.00 0.00 0.00 62.75 64.77 3i4m n ILE 138 Cb 0.36 -1.71 -0.09 0.00 -0.71 0.00 0.00 39.64 37.48 3i4m n ILE 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3i4m h TRP 139 N 0.00 -1.00 -1.15 1.39 7.01 -1.58 -2.54 115.95 118.08 3i4m h TRP 139 Ca 0.17 -0.02 0.32 0.00 2.11 0.00 0.00 58.89 61.47 3i4m h TRP 139 Cb 0.31 0.33 -0.08 0.00 -2.10 0.00 0.00 29.16 27.62 3i4m h TRP 139 CO -0.51 -0.61 0.78 1.15 -2.79 0.00 0.00 178.44 176.45 3i4m h THR 140 N -1.16 0.42 0.53 2.65 2.02 -0.62 0.27 112.91 117.02 3i4m h THR 140 Ca -0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3i4m h THR 140 Cb 0.84 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3i4m h THR 140 CO 0.18 0.04 -0.25 -0.07 0.37 0.00 0.00 175.52 175.78 3i4m h LEU 141 N 0.20 -0.60 -1.03 2.58 3.38 -0.70 -3.36 115.31 115.79 3i4m h LEU 141 Ca 0.61 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3i4m h LEU 141 Cb 1.97 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.87 3i4m h LEU 141 CO -0.19 -0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.11 3i4m n LYS 143 N 0.24 0.35 -0.08 0.00 2.85 0.92 -2.79 118.16 119.65 3i4m n LYS 143 Ca 0.18 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.29 3i4m n LYS 143 Cb 0.36 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 3i4m n LYS 143 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3i4m n THR 144 N -1.03 1.16 -1.64 0.58 -1.04 -1.25 -4.90 114.28 106.16 3i4m n THR 144 Ca 0.09 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 3i4m n THR 144 Cb 0.05 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.67 3i4m n THR 144 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i4m s LYS 145 N -2.43 2.39 -0.60 -2.82 -0.14 -1.12 -4.85 119.74 110.17 3i4m s LYS 145 Ca -0.25 1.43 -0.00 0.00 -1.36 0.00 0.00 55.97 55.79 3i4m s LYS 145 Cb 0.08 -4.51 0.48 0.00 -1.68 0.00 0.00 37.83 32.21 3i4m s LYS 145 CO 0.33 -2.96 1.94 -1.33 -0.76 0.00 0.00 175.35 172.57 3i4m n MET 146 N 8.97 2.68 -3.30 1.68 2.81 -1.26 -4.84 117.12 123.85 3i4m n MET 146 Ca 0.33 -3.32 -0.07 0.00 -1.81 0.00 0.00 57.70 52.83 3i4m n MET 146 Cb 0.52 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.71 3i4m n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3i4m s VAL 147 N -4.55 -0.67 -0.96 2.03 1.01 -1.26 0.13 120.40 116.12 3i4m s VAL 147 Ca 0.62 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 3i4m s VAL 147 Cb 0.50 -0.91 -0.19 0.00 0.00 0.00 0.00 36.38 35.78 3i4m s VAL 147 CO 0.01 -0.16 2.23 0.00 0.00 0.00 0.00 175.10 177.18 3i4m s GLU 149 N 8.59 2.88 0.00 0.00 2.02 -1.26 -2.55 118.70 128.38 3i4m s GLU 149 Ca 0.86 1.40 0.06 0.00 0.02 0.00 0.00 54.97 57.30 3i4m s GLU 149 Cb -0.08 -1.96 0.09 0.00 0.10 0.00 0.00 34.13 32.28 3i4m s GLU 149 CO 0.14 -1.19 0.84 2.41 0.02 0.00 0.00 175.26 177.48 3i4m n THR 150 N -2.30 0.34 -3.71 3.63 -1.04 -1.26 -4.50 114.28 105.44 3i4m n THR 150 Ca 0.10 -0.67 -0.11 0.00 -2.04 0.00 0.00 64.05 61.33 3i4m n THR 150 Cb 0.52 0.91 -0.12 0.00 -1.82 0.00 0.00 70.33 69.82 3i4m n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i4m s ASP 151 N -0.67 -0.38 -0.00 8.00 1.01 -1.26 -2.88 116.67 120.49 3i4m s ASP 151 Ca 0.09 0.71 -0.07 0.00 0.71 0.00 0.00 52.55 53.98 3i4m s ASP 151 Cb 0.06 0.60 0.00 0.00 1.01 0.00 0.00 42.92 44.58 3i4m s ASP 151 CO 0.08 -0.18 0.14 -0.69 0.21 0.00 0.00 175.17 174.73 3i4m s VAL 152 N 1.36 0.08 -0.59 -1.27 1.01 -0.17 -4.94 120.40 115.88 3i4m s VAL 152 Ca -0.09 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 3i4m s VAL 152 Cb -0.09 -0.43 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 3i4m s VAL 152 CO -0.11 -0.36 2.33 -2.16 0.00 0.00 0.00 175.10 174.80 3i4m s PRO 153 N -1.31 2.05 0.90 2.72 0.04 -1.26 -1.07 135.00 137.08 3i4m s PRO 153 Ca -0.14 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 3i4m s PRO 153 Cb -0.07 -4.63 -0.16 0.00 0.04 0.00 0.00 34.50 29.67 3i4m s PRO 153 CO 0.02 -3.51 -1.28 -1.13 0.04 0.00 0.00 177.00 171.14 3i4m n SER 154 N 16.15 -2.80 -0.19 6.66 3.41 -1.25 -4.69 113.62 130.91 3i4m n SER 154 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3i4m n SER 154 Cb 0.52 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3i4m n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4m n GLU 155 N 2.39 0.28 -1.23 4.33 1.02 -1.26 -4.58 120.64 121.60 3i4m n GLU 155 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3i4m n GLU 155 Cb 0.62 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 3i4m n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i4m n ASP 156 N -0.17 1.51 -4.67 1.62 8.00 -1.26 -5.06 116.55 116.53 3i4m n ASP 156 Ca 0.00 -0.61 -0.64 0.00 0.71 0.00 0.00 54.79 54.25 3i4m n ASP 156 Cb 0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 3i4m n ASP 156 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i4m n ASP 157 N -0.92 0.94 -0.47 -2.24 5.75 -1.26 -4.69 116.55 113.66 3i4m n ASP 157 Ca 0.00 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.95 3i4m n ASP 157 Cb 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 3i4m n ASP 157 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3i4m n PRO 158 N 3.30 0.26 0.00 0.11 -0.04 -1.26 -1.18 135.00 136.19 3i4m n PRO 158 Ca 0.27 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 3i4m n PRO 158 Cb 0.00 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3i4m n PRO 158 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i4m n THR 159 N 0.32 0.00 -3.68 0.52 -1.04 -1.26 -4.70 114.28 104.45 3i4m n THR 159 Ca 0.00 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.05 61.51 3i4m n THR 159 Cb 0.06 1.04 -0.10 0.00 -1.82 0.00 0.00 70.33 69.51 3i4m n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n GLN 160 N -1.04 2.05 -0.58 -2.82 1.13 -0.33 -5.10 117.38 110.69 3i4m n GLN 160 Ca 0.03 -4.50 -0.30 0.00 -1.94 0.00 0.00 57.00 50.29 3i4m n GLN 160 Cb 0.23 -2.23 0.21 0.00 0.11 0.00 0.00 30.24 28.56 3i4m n GLN 160 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i4m n LEU 161 N 1.51 0.89 -4.03 1.08 4.77 -1.26 -3.94 117.00 116.01 3i4m n LEU 161 Ca 0.24 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 3i4m n LEU 161 Cb 0.38 -1.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.02 3i4m n LEU 161 CO 0.32 -2.75 -0.28 -0.69 -1.33 0.00 0.00 177.39 172.66 3i4m s VAL 162 N -2.52 0.19 0.54 4.08 1.01 -0.23 -4.74 120.40 118.73 3i4m s VAL 162 Ca 0.67 -1.64 0.09 0.00 0.00 0.00 0.00 61.98 61.10 3i4m s VAL 162 Cb -0.24 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.69 3i4m s VAL 162 CO 0.62 -0.85 0.74 -0.94 0.00 0.00 0.00 175.10 174.67 3i4m s SER 163 N -2.92 5.22 0.00 3.32 1.04 -1.25 -0.99 113.70 118.12 3i4m s SER 163 Ca 0.08 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3i4m s SER 163 Cb 0.07 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3i4m s SER 163 CO -0.09 -1.21 0.00 -2.11 0.98 0.00 0.00 173.24 170.81 3i4m n ARG 164 N -2.16 0.00 -1.49 4.02 1.85 -1.14 -4.93 116.66 112.80 3i4m n ARG 164 Ca 0.14 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.69 3i4m n ARG 164 Cb 0.61 0.00 0.22 0.00 -1.05 0.00 0.00 32.46 32.24 3i4m n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3i4m s GLY 165 N 0.00 1.69 0.00 2.89 0.00 -1.26 -5.00 107.32 105.64 3i4m s GLY 165 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3i4m s GLY 165 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.43 3i4m n GLY 166 N -2.35 0.92 0.00 0.20 0.00 -1.26 -4.00 105.19 98.70 3i4m n GLY 166 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i4m n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m n GLY 168 N 0.95 -0.71 0.17 0.00 0.00 -1.06 -4.37 105.19 100.17 3i4m n GLY 168 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 3i4m n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4m n ASN 169 N -0.76 0.05 -4.70 1.61 3.02 -1.26 -3.10 115.26 110.11 3i4m n ASN 169 Ca 0.12 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 3i4m n ASN 169 Cb 0.34 -0.04 0.10 0.00 -0.61 0.00 0.00 39.78 39.56 3i4m n ASN 169 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3i4m n THR 170 N 0.21 3.41 -4.68 3.41 -1.04 -1.26 -3.69 114.28 110.62 3i4m n THR 170 Ca 0.02 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 3i4m n THR 170 Cb -0.00 -1.32 -0.16 0.00 -1.82 0.00 0.00 70.33 67.03 3i4m n THR 170 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3i4m s GLN 171 N -3.72 3.17 0.45 -2.82 -0.21 0.35 -4.93 119.66 111.95 3i4m s GLN 171 Ca 0.78 -0.78 -0.25 0.00 0.02 0.00 0.00 55.36 55.12 3i4m s GLN 171 Cb -0.34 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.05 3i4m s GLN 171 CO 0.46 0.05 1.39 -1.25 -2.12 0.00 0.00 175.29 173.83 3i4m s PRO 172 N 0.70 3.71 -0.43 2.91 0.04 -1.26 -4.74 135.00 135.93 3i4m s PRO 172 Ca -0.08 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 3i4m s PRO 172 Cb -0.16 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.75 3i4m s PRO 172 CO 0.01 -0.77 1.25 0.99 0.04 0.00 0.00 177.00 178.53 3i4m s THR 173 N -1.23 4.11 0.55 1.26 2.01 -1.23 -4.66 115.64 116.46 3i4m s THR 173 Ca 0.61 1.15 -0.17 0.00 0.31 0.00 0.00 61.69 63.59 3i4m s THR 173 Cb -0.42 -4.41 -0.05 0.00 0.01 0.00 0.00 72.50 67.63 3i4m s THR 173 CO 0.54 -0.84 1.05 -0.63 -0.69 0.00 0.00 174.62 174.05 3i4m s ILE 174 N 4.75 3.80 -0.13 1.82 1.01 -1.26 -3.37 121.20 127.82 3i4m s ILE 174 Ca 0.53 0.95 -0.20 0.00 0.00 0.00 0.00 60.65 61.93 3i4m s ILE 174 Cb -0.11 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 39.00 3i4m s ILE 174 CO 0.30 -0.41 0.51 0.00 0.00 0.00 0.00 174.94 175.34 3i4m s ARG 175 N -3.78 0.71 0.35 2.79 1.70 0.36 -4.94 118.95 116.13 3i4m s ARG 175 Ca 0.65 0.47 -0.26 0.00 -0.47 0.00 0.00 55.73 56.12 3i4m s ARG 175 Cb -0.16 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 3i4m s ARG 175 CO 0.31 -0.14 1.04 0.21 -1.08 0.00 0.00 175.30 175.64 3i4m s LYS 176 N -0.30 4.37 -0.29 3.89 2.20 -1.26 -2.73 119.74 125.62 3i4m s LYS 176 Ca -0.05 1.56 -0.15 0.00 -0.36 0.00 0.00 55.97 56.97 3i4m s LYS 176 Cb -0.03 -2.77 0.11 0.00 -1.51 0.00 0.00 37.83 33.63 3i4m s LYS 176 CO 0.03 0.03 0.77 0.34 -0.36 0.00 0.00 175.35 176.16 3i4m s ASP 177 N -1.39 -0.85 0.47 1.43 -1.08 -1.20 -4.99 116.67 109.06 3i4m s ASP 177 Ca 0.53 1.33 0.00 0.00 -0.52 0.00 0.00 52.55 53.88 3i4m s ASP 177 Cb -0.24 1.48 0.00 0.00 -1.46 0.00 0.00 42.92 42.70 3i4m s ASP 177 CO 0.31 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.40 3i4m n GLY 178 N 4.36 2.74 1.32 2.66 0.00 -1.26 -1.35 105.19 113.66 3i4m n GLY 178 Ca -0.18 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3i4m n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 179 N 0.00 4.10 -3.73 0.99 4.77 -1.26 -4.97 117.00 116.91 3i4m n LEU 179 Ca 0.00 -4.19 -0.14 0.00 -0.03 0.00 0.00 56.01 51.65 3i4m n LEU 179 Cb 0.00 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 3i4m n LEU 179 CO 0.00 1.62 0.08 -0.54 -1.33 0.00 0.00 177.39 177.22 3i4m s LYS 180 N -3.40 0.70 0.24 3.23 1.02 -0.45 -4.86 119.74 116.22 3i4m s LYS 180 Ca 0.46 -0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.43 3i4m s LYS 180 Cb 0.40 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 38.00 3i4m s LYS 180 CO -0.01 -0.19 0.33 -0.51 -0.92 0.00 0.00 175.35 174.04 3i4m s LEU 181 N -1.19 4.22 -0.12 3.17 1.43 -1.26 -3.22 118.68 121.70 3i4m s LEU 181 Ca -0.12 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3i4m s LEU 181 Cb -0.04 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.46 3i4m s LEU 181 CO 0.05 -0.06 0.43 -0.69 0.23 0.00 0.00 176.35 176.31 3i4m s VAL 182 N -2.01 0.01 0.17 -1.59 1.01 -1.11 -1.03 120.40 115.86 3i4m s VAL 182 Ca 0.34 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3i4m s VAL 182 Cb -0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 3i4m s VAL 182 CO 0.28 -0.06 -0.00 -0.83 0.00 0.00 0.00 175.10 174.49 3i4m s GLY 183 N -0.21 1.19 -0.15 4.51 0.00 -1.15 -0.49 107.32 111.02 3i4m s GLY 183 Ca -0.04 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 3i4m s GLY 183 CO 0.02 -1.52 -0.02 -1.35 0.00 0.00 0.00 173.10 170.23 3i4m s SER 184 N -3.16 2.54 0.00 1.64 1.04 -1.22 -2.60 113.70 111.94 3i4m s SER 184 Ca 0.23 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3i4m s SER 184 Cb 0.06 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.47 3i4m s SER 184 CO 0.03 -0.22 0.00 0.79 0.98 0.00 0.00 173.24 174.83 3i4m n TRP 185 N 4.99 -0.10 0.00 5.02 5.03 -1.23 -3.48 117.44 127.68 3i4m n TRP 185 Ca -0.10 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.43 3i4m n TRP 185 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.76 3i4m n TRP 185 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 3i4m n LYS 186 N 0.00 0.00 -0.85 -0.99 5.02 -1.26 -3.28 118.16 116.80 3i4m n LYS 186 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i4m n LYS 186 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i4m n LYS 186 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i4m n LYS 187 N 0.00 0.00 -1.30 1.97 3.00 -1.26 -4.35 118.16 116.22 3i4m n LYS 187 Ca 0.00 0.28 0.17 0.00 -0.00 0.00 0.00 58.31 58.76 3i4m n LYS 187 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 35.03 34.31 3i4m n LYS 187 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i4m n ASP 188 N -0.09 -7.81 -3.26 3.14 8.00 -1.26 -3.23 116.55 112.04 3i4m n ASP 188 Ca 0.00 0.92 -0.11 0.00 0.71 0.00 0.00 54.79 56.31 3i4m n ASP 188 Cb 0.00 -4.20 -0.05 0.00 -0.02 0.00 0.00 41.12 36.85 3i4m n ASP 188 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i4m s ARG 189 N -3.11 0.76 0.00 -1.24 3.52 -1.26 -2.56 118.95 115.05 3i4m s ARG 189 Ca 0.00 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3i4m s ARG 189 Cb 0.00 -0.45 0.00 0.00 -1.56 0.00 0.00 34.95 32.94 3i4m s ARG 189 CO 0.00 -1.22 0.00 0.00 -0.81 0.00 0.00 175.30 173.27 3i4m n ALA 190 N 4.08 0.00 -1.16 6.12 0.00 -1.26 -4.98 120.51 123.31 3i4m n ALA 190 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3i4m n ALA 190 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i4m n ALA 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i4m n THR 191 N -2.04 0.00 -3.57 0.00 -1.04 -1.26 -4.94 114.28 101.43 3i4m n THR 191 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3i4m n THR 191 Cb 0.00 -0.15 -0.13 0.00 -1.82 0.00 0.00 70.33 68.24 3i4m n THR 191 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3i4m s GLY 192 N -0.28 1.11 0.58 3.41 0.00 -1.26 -5.10 107.32 105.77 3i4m s GLY 192 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.68 3i4m s GLY 192 CO 0.00 1.88 0.00 1.22 0.00 0.00 0.00 173.10 176.20 3i4m n ASP 193 N 4.00 -7.27 0.00 1.64 8.00 -1.26 -4.84 116.55 116.82 3i4m n ASP 193 Ca 0.09 1.36 0.00 0.00 0.71 0.00 0.00 54.79 56.94 3i4m n ASP 193 Cb 0.37 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 3i4m n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n ALA 194 N -4.15 0.00 -0.56 2.24 0.00 -1.26 -4.59 120.51 112.19 3i4m n ALA 194 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i4m n ALA 194 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3i4m n ALA 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i4m n ASP 195 N 4.46 0.00 -3.16 0.00 10.43 -1.06 -4.81 116.55 122.41 3i4m n ASP 195 Ca 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.22 3i4m n ASP 195 Cb 0.00 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.10 3i4m n ASP 195 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3i4m n GLU 196 N 13.11 -2.76 -0.49 -1.24 0.00 -1.26 -4.48 120.64 123.52 3i4m n GLU 196 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 57.16 56.26 3i4m n GLU 196 Cb 0.00 -0.97 0.18 0.00 0.00 0.00 0.00 31.44 30.65 3i4m n GLU 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3i4m n PRO 197 N -3.24 -2.69 -3.35 3.44 -0.04 -1.26 -4.70 135.00 123.17 3i4m n PRO 197 Ca 0.06 -0.79 -0.25 0.00 -0.04 0.00 0.00 63.50 62.48 3i4m n PRO 197 Cb 0.28 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 3i4m n PRO 197 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3i4m s GLU 198 N -3.78 0.87 -0.11 0.54 2.12 -1.21 -4.90 118.70 112.23 3i4m s GLU 198 Ca 0.45 -1.90 -0.29 0.00 0.36 0.00 0.00 54.97 53.58 3i4m s GLU 198 Cb -0.08 -1.27 -0.06 0.00 0.26 0.00 0.00 34.13 32.98 3i4m s GLU 198 CO 0.42 -1.36 1.94 -0.51 -0.54 0.00 0.00 175.26 175.21 3i4m s LEU 199 N 0.28 3.99 -0.03 2.70 1.43 -1.26 -3.55 118.68 122.24 3i4m s LEU 199 Ca 0.31 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 3i4m s LEU 199 Cb 0.00 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3i4m s LEU 199 CO -0.16 -1.37 -0.09 -0.60 0.23 0.00 0.00 176.35 174.36 3i4m s ARG 200 N 5.06 0.99 0.27 1.70 3.52 -1.07 -5.05 118.95 124.37 3i4m s ARG 200 Ca 0.87 -0.31 -0.21 0.00 -0.13 0.00 0.00 55.73 55.95 3i4m s ARG 200 Cb -0.35 -0.92 -0.09 0.00 -1.56 0.00 0.00 34.95 32.03 3i4m s ARG 200 CO 0.36 0.11 0.80 0.08 -0.81 0.00 0.00 175.30 175.83 3i4m s VAL 201 N 0.23 4.47 -0.44 7.11 1.01 -1.26 -2.95 120.40 128.57 3i4m s VAL 201 Ca -0.04 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.18 3i4m s VAL 201 Cb -0.09 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3i4m s VAL 201 CO 0.01 0.13 0.50 -0.76 0.00 0.00 0.00 175.10 174.98 3i4m s LEU 202 N -2.14 4.86 0.54 3.92 1.43 -0.19 -5.00 118.68 122.10 3i4m s LEU 202 Ca 0.47 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3i4m s LEU 202 Cb -0.16 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 3i4m s LEU 202 CO 0.21 -0.67 1.03 -0.94 0.23 0.00 0.00 176.35 176.21 3i4m s SER 203 N 2.02 6.21 0.07 2.29 1.04 -1.26 -4.35 113.70 119.72 3i4m s SER 203 Ca 0.14 1.76 -0.36 0.00 0.48 0.00 0.00 55.95 57.97 3i4m s SER 203 Cb -0.17 -2.53 -0.19 0.00 0.10 0.00 0.00 66.02 63.23 3i4m s SER 203 CO 0.14 -0.87 1.58 0.71 0.98 0.00 0.00 173.24 175.78 3i4m h THR 204 N 0.90 0.10 -0.99 2.02 1.35 -1.97 -1.39 112.91 112.94 3i4m h THR 204 Ca -0.48 0.00 0.34 0.00 -0.55 0.00 0.00 66.41 65.72 3i4m h THR 204 Cb 1.21 0.10 -0.18 0.00 -1.73 0.00 0.00 68.15 67.55 3i4m h THR 204 CO 0.59 0.00 0.28 -0.33 -0.25 0.00 0.00 175.52 175.81 3i4m h GLU 205 N -1.12 0.03 0.35 4.72 3.07 -1.93 0.45 114.58 120.14 3i4m h GLU 205 Ca -0.10 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3i4m h GLU 205 Cb 0.90 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3i4m h GLU 205 CO 0.11 0.02 -0.22 1.49 -1.40 0.00 0.00 179.01 179.00 3i4m h GLU 206 N 0.03 -0.52 0.00 2.33 4.81 -1.81 -2.44 114.58 116.98 3i4m h GLU 206 Ca 0.71 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.98 3i4m h GLU 206 Cb 1.68 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.18 3i4m h GLU 206 CO -0.83 -0.34 0.00 -0.89 -0.73 0.00 0.00 179.01 176.22 3i4m n ILE 207 N -3.67 0.00 -0.21 2.32 2.08 0.12 -1.84 119.36 118.15 3i4m n ILE 207 Ca -0.07 1.46 -0.01 0.00 0.56 0.00 0.00 62.75 64.70 3i4m n ILE 207 Cb 0.22 -2.21 0.02 0.00 -0.75 0.00 0.00 39.64 36.92 3i4m n ILE 207 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3i4m n LEU 208 N -2.36 -0.37 0.29 1.39 0.00 0.11 0.11 117.00 116.18 3i4m n LEU 208 Ca 0.00 0.95 -0.17 0.00 0.00 0.00 0.00 56.01 56.79 3i4m n LEU 208 Cb 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 43.42 43.13 3i4m n LEU 208 CO 0.00 -0.84 0.60 -1.13 0.00 0.00 0.00 177.39 176.02 3i4m h ASN 209 N 0.00 -1.03 -0.89 1.96 -0.73 -1.14 0.10 115.58 113.84 3i4m h ASN 209 Ca 0.18 0.08 0.24 0.00 1.87 0.00 0.00 56.30 58.67 3i4m h ASN 209 Cb 0.32 0.33 -0.15 0.00 0.27 0.00 0.00 38.32 39.09 3i4m h ASN 209 CO -0.54 -0.57 0.24 0.40 -0.37 0.00 0.00 177.43 176.59 3i4m h ILE 210 N -0.88 0.29 0.23 2.57 2.04 0.16 0.54 117.51 122.47 3i4m h ILE 210 Ca -0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3i4m h ILE 210 Cb 0.75 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3i4m h ILE 210 CO -0.00 0.04 -0.11 -0.26 0.00 0.00 0.00 178.15 177.81 3i4m h PHE 211 N 0.19 -0.29 -0.83 1.37 -1.00 -0.51 -2.94 116.94 112.94 3i4m h PHE 211 Ca 0.57 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.53 3i4m h PHE 211 Cb 1.16 0.10 -0.15 0.00 3.61 0.00 0.00 35.95 40.67 3i4m h PHE 211 CO -0.27 -0.01 -0.05 0.87 -1.61 0.00 0.00 178.31 177.24 3i4m h LYS 212 N -0.56 0.05 0.00 1.51 1.57 0.11 1.00 116.57 120.25 3i4m h LYS 212 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3i4m h LYS 212 Cb 0.41 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3i4m h LYS 212 CO 0.05 0.04 -0.09 0.45 -0.57 0.00 0.00 179.45 179.33 3i4m h HIS 213 N 0.06 0.00 -1.75 -1.35 3.86 -1.22 -3.44 115.15 111.31 3i4m h HIS 213 Ca 0.45 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.99 3i4m h HIS 213 Cb 0.79 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.34 3i4m h HIS 213 CO -0.50 0.09 0.15 -0.89 0.86 0.00 0.00 177.93 177.64 3i4m n ILE 214 N -3.72 0.94 -1.60 2.45 5.41 0.35 -4.79 119.36 118.40 3i4m n ILE 214 Ca -0.02 -0.24 -0.37 0.00 1.00 0.00 0.00 62.75 63.13 3i4m n ILE 214 Cb 0.20 -0.66 0.07 0.00 -0.71 0.00 0.00 39.64 38.54 3i4m n ILE 214 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3i4m n SER 215 N 1.93 1.44 0.04 4.38 2.88 -1.16 -4.76 113.62 118.36 3i4m n SER 215 Ca 0.16 0.78 -0.11 0.00 -1.33 0.00 0.00 58.87 58.37 3i4m n SER 215 Cb 0.23 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.15 3i4m n SER 215 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3i4m h VAL 216 N 0.28 0.81 0.00 2.46 2.07 -1.94 0.59 116.25 120.52 3i4m h VAL 216 Ca -0.50 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3i4m h VAL 216 Cb 1.34 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3i4m h VAL 216 CO 0.51 0.00 -0.41 0.11 0.02 0.00 0.00 177.57 177.80 3i4m h LYS 217 N -0.11 0.00 -0.59 1.57 1.57 -2.00 -2.38 116.57 114.63 3i4m h LYS 217 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3i4m h LYS 217 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3i4m h LYS 217 CO -0.09 0.41 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.74 3i4m h ASP 218 N 0.00 1.04 0.00 0.86 3.32 -1.57 0.52 116.42 120.59 3i4m h ASP 218 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3i4m h ASP 218 Cb 0.90 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3i4m h ASP 218 CO 0.05 1.11 0.00 0.49 -1.72 0.00 0.00 179.24 179.17 3i4m n PHE 219 N -4.18 0.00 -0.08 4.55 0.99 0.19 -1.36 117.46 117.57 3i4m n PHE 219 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.37 3i4m n PHE 219 Cb 0.36 -0.08 -0.05 0.00 -1.00 0.00 0.00 39.48 38.70 3i4m n PHE 219 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3i4m h THR 220 N 0.00 0.13 -0.50 4.37 2.02 -1.53 -1.69 112.91 115.72 3i4m h THR 220 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3i4m h THR 220 Cb 0.00 0.13 -0.09 0.00 -1.74 0.00 0.00 68.15 66.45 3i4m h THR 220 CO 0.00 0.00 -0.12 -1.20 0.37 0.00 0.00 175.52 174.57 3i4m n SER 221 N -5.42 -0.18 0.00 4.18 7.64 0.18 -1.57 113.62 118.45 3i4m n SER 221 Ca -0.02 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.72 3i4m n SER 221 Cb 0.35 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3i4m n SER 221 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i4m n LEU 222 N -4.81 0.52 -0.45 -3.43 4.77 -0.46 -4.78 117.00 108.35 3i4m n LEU 222 Ca 0.08 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3i4m n LEU 222 Cb 0.25 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3i4m n LEU 222 CO -0.06 0.00 0.08 0.61 -1.33 0.00 0.00 177.39 176.69 3i4m n GLY 223 N 0.64 -0.06 0.00 -0.72 0.00 -0.61 -3.21 105.19 101.23 3i4m n GLY 223 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i4m n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4m n PHE 224 N 0.00 0.00 -3.66 1.61 3.01 -1.18 -4.47 117.46 112.76 3i4m n PHE 224 Ca -0.05 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.34 3i4m n PHE 224 Cb 0.28 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.67 3i4m n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3i4m s ASN 225 N -0.56 -0.56 0.55 4.37 2.47 -0.79 -4.44 114.94 115.98 3i4m s ASN 225 Ca 0.00 1.14 0.30 0.00 0.42 0.00 0.00 52.86 54.72 3i4m s ASN 225 Cb 0.00 1.41 1.64 0.00 -1.45 0.00 0.00 41.25 42.85 3i4m s ASN 225 CO 0.00 -0.22 1.91 -0.08 -3.72 0.00 0.00 177.10 174.98 3i4m h GLU 226 N 7.78 0.00 0.00 0.43 4.81 -1.90 -2.63 114.58 123.08 3i4m h GLU 226 Ca -0.22 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3i4m h GLU 226 Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3i4m h GLU 226 CO 0.16 0.00 -1.14 0.28 -0.73 0.00 0.00 179.01 177.58 3i4m n VAL 227 N -2.70 0.14 -0.06 0.32 0.31 -1.26 -4.89 118.33 110.20 3i4m n VAL 227 Ca -0.02 -0.07 -0.05 0.00 -0.01 0.00 0.00 64.34 64.18 3i4m n VAL 227 Cb 0.22 -0.80 -0.11 0.00 -0.91 0.00 0.00 33.84 32.24 3i4m n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i4m n PHE 228 N -2.28 0.00 -3.08 3.52 0.99 -1.22 -4.91 117.46 110.49 3i4m n PHE 228 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.27 3i4m n PHE 228 Cb 0.56 -0.63 -0.04 0.00 -1.00 0.00 0.00 39.48 38.37 3i4m n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3i4m s SER 229 N -4.55 -0.12 -0.08 4.37 1.04 -1.00 0.64 113.70 114.00 3i4m s SER 229 Ca -0.06 -2.17 -0.28 0.00 0.48 0.00 0.00 55.95 53.91 3i4m s SER 229 Cb 0.04 0.90 -0.02 0.00 0.10 0.00 0.00 66.02 67.04 3i4m s SER 229 CO 0.55 -0.12 0.92 -0.13 0.98 0.00 0.00 173.24 175.43 3i4m s ARG 230 N 0.67 4.45 0.28 4.02 0.52 -1.16 -1.88 118.95 125.85 3i4m s ARG 230 Ca 0.29 1.25 0.05 0.00 -0.52 0.00 0.00 55.73 56.80 3i4m s ARG 230 Cb -0.00 -3.51 0.76 0.00 0.52 0.00 0.00 34.95 32.72 3i4m s ARG 230 CO -0.10 -0.17 1.34 -2.30 0.02 0.00 0.00 175.30 174.09 3i4m n PRO 231 N 4.49 -0.06 0.00 3.54 -0.02 -1.26 0.17 135.00 141.85 3i4m n PRO 231 Ca 0.05 1.26 0.00 0.00 -2.02 0.00 0.00 63.50 62.79 3i4m n PRO 231 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3i4m n PRO 231 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i4m n GLU 232 N -5.17 0.00 -0.02 -0.52 0.28 -1.26 -0.18 120.64 113.77 3i4m n GLU 232 Ca 0.23 0.19 0.08 0.00 -0.16 0.00 0.00 57.16 57.50 3i4m n GLU 232 Cb 0.76 -1.66 -0.15 0.00 1.43 0.00 0.00 31.44 31.81 3i4m n GLU 232 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3i4m n TRP 233 N -1.13 0.00 0.00 -1.84 8.01 0.45 -4.25 117.44 118.68 3i4m n TRP 233 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3i4m n TRP 233 Cb 0.16 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 28.94 3i4m n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 3i4m n MET 234 N -2.25 0.00 -4.14 -0.99 2.81 0.75 -4.11 117.12 109.18 3i4m n MET 234 Ca -0.07 0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.54 3i4m n MET 234 Cb 0.59 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 31.43 3i4m n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3i4m s ILE 235 N -1.93 2.25 -0.15 2.02 1.01 -1.26 -3.18 121.20 119.95 3i4m s ILE 235 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3i4m s ILE 235 Cb 0.00 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 3i4m s ILE 235 CO 0.00 0.52 1.04 -0.76 0.00 0.00 0.00 174.94 175.75 3i4m s LEU 236 N 1.27 4.19 -0.22 2.97 1.43 -0.88 -4.89 118.68 122.55 3i4m s LEU 236 Ca 0.04 1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 54.56 3i4m s LEU 236 Cb -0.13 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 3i4m s LEU 236 CO -0.11 -0.55 -0.26 0.41 0.23 0.00 0.00 176.35 176.07 3i4m n THR 237 N 4.88 1.19 -4.95 5.49 -1.04 -1.26 -2.42 114.28 116.18 3i4m n THR 237 Ca 0.10 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.05 61.45 3i4m n THR 237 Cb 0.47 -1.64 -0.14 0.00 -1.82 0.00 0.00 70.33 67.20 3i4m n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m s LEU 239 N -0.84 3.40 0.28 0.00 2.96 -1.20 -4.81 118.68 118.47 3i4m s LEU 239 Ca 0.12 -0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 52.85 3i4m s LEU 239 Cb -0.10 -1.71 -0.11 0.00 0.50 0.00 0.00 46.19 44.76 3i4m s LEU 239 CO 0.01 -0.15 1.57 -2.16 -1.32 0.00 0.00 176.35 174.29 3i4m s PRO 240 N 1.35 4.15 -0.61 0.98 0.04 -1.26 -1.77 135.00 137.87 3i4m s PRO 240 Ca 0.00 2.53 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 3i4m s PRO 240 Cb -0.17 -3.04 0.16 0.00 0.04 0.00 0.00 34.50 31.49 3i4m s PRO 240 CO -0.03 -0.60 0.52 0.08 0.04 0.00 0.00 177.00 177.02 3i4m s VAL 241 N 0.01 4.88 0.17 -0.36 1.01 0.52 -4.92 120.40 121.72 3i4m s VAL 241 Ca 0.63 -2.00 -0.33 0.00 0.00 0.00 0.00 61.98 60.27 3i4m s VAL 241 Cb -0.47 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 31.65 3i4m s VAL 241 CO 0.47 -0.89 1.48 -0.81 0.00 0.00 0.00 175.10 175.35 3i4m n PRO 242 N 4.61 1.94 -1.49 2.72 -0.04 -1.26 -2.35 135.00 139.13 3i4m n PRO 242 Ca -0.02 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.82 3i4m n PRO 242 Cb 0.42 -2.41 0.06 0.00 -0.04 0.00 0.00 33.50 31.53 3i4m n PRO 242 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3i4m s PRO 243 N 0.43 2.75 0.05 0.54 0.04 -1.26 -4.83 135.00 132.72 3i4m s PRO 243 Ca 0.76 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 3i4m s PRO 243 Cb -0.72 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3i4m s PRO 243 CO 0.43 -1.25 0.48 -0.35 0.04 0.00 0.00 177.00 176.35 3i4m n PRO 244 N -3.21 -0.12 0.00 0.56 -0.04 -1.26 -0.86 135.00 130.06 3i4m n PRO 244 Ca 0.08 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 3i4m n PRO 244 Cb 0.53 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 3i4m n PRO 244 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i4m n PRO 245 N -4.40 0.00 -0.02 0.54 -0.02 -1.26 0.59 135.00 130.43 3i4m n PRO 245 Ca 0.01 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.53 3i4m n PRO 245 Cb 0.09 -1.28 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3i4m n PRO 245 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i4m n VAL 246 N -0.70 0.15 -2.91 -1.45 0.31 -0.04 -4.62 118.33 109.07 3i4m n VAL 246 Ca 0.00 -0.32 -0.18 0.00 -0.01 0.00 0.00 64.34 63.83 3i4m n VAL 246 Cb 0.00 0.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 3i4m n VAL 246 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3i4m n ARG 247 N -2.02 1.77 -1.65 5.55 1.85 0.20 -5.01 116.66 117.35 3i4m n ARG 247 Ca -0.05 -3.78 -0.51 0.00 -1.00 0.00 0.00 57.85 52.51 3i4m n ARG 247 Cb 0.42 -1.75 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 3i4m n ARG 247 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3i4m n PRO 248 N -0.01 1.73 -2.27 2.89 -0.04 0.44 -4.09 135.00 133.64 3i4m n PRO 248 Ca 0.24 0.61 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 3i4m n PRO 248 Cb 0.65 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3i4m n PRO 248 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i4m s SER 249 N 4.60 5.71 -1.10 3.54 1.04 -1.26 -3.81 113.70 122.43 3i4m s SER 249 Ca 0.97 -0.50 -0.25 0.00 0.48 0.00 0.00 55.95 56.65 3i4m s SER 249 Cb -0.81 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 62.62 3i4m s SER 249 CO 0.55 -2.16 2.04 -0.63 0.98 0.00 0.00 173.24 174.01 3i4m s ILE 250 N 7.67 3.31 -0.20 -1.02 1.01 -1.26 -4.62 121.20 126.08 3i4m s ILE 250 Ca 0.56 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 3i4m s ILE 250 Cb -0.07 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 3i4m s ILE 250 CO 0.07 -0.57 1.22 -0.94 0.00 0.00 0.00 174.94 174.71 3i4m s SER 251 N 7.68 6.94 -1.03 3.58 1.04 -1.26 -4.06 113.70 126.59 3i4m s SER 251 Ca 0.75 1.54 -0.23 0.00 0.48 0.00 0.00 55.95 58.50 3i4m s SER 251 Cb -0.04 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3i4m s SER 251 CO 0.14 -0.79 1.45 -0.36 0.98 0.00 0.00 173.24 174.66 3i4m s PHE 252 N 3.56 2.56 0.00 5.02 2.99 -0.83 -4.88 117.98 126.39 3i4m s PHE 252 Ca 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 56.93 56.57 3i4m s PHE 252 Cb -0.19 -4.69 0.00 0.00 0.00 0.00 0.00 43.02 38.13 3i4m s PHE 252 CO 0.14 -1.92 0.00 0.09 -0.00 0.00 0.00 175.22 173.53 3i4m n ASN 253 N 8.81 0.00 -4.09 1.36 3.02 -1.26 -4.15 115.26 118.95 3i4m n ASN 253 Ca 0.33 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.72 3i4m n ASN 253 Cb 0.51 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.55 3i4m n ASN 253 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i4m s GLU 254 N 0.00 0.68 -1.95 3.52 2.02 -1.26 -4.77 118.70 116.95 3i4m s GLU 254 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3i4m s GLU 254 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.64 3i4m s GLU 254 CO 0.00 0.13 0.00 -1.13 0.02 0.00 0.00 175.26 174.28 3i4m n SER 255 N 1.72 -5.37 -4.13 -0.19 3.41 -1.26 -4.97 113.62 102.83 3i4m n SER 255 Ca -0.20 0.31 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 3i4m n SER 255 Cb 0.55 -4.65 -0.14 0.00 -0.26 0.00 0.00 64.21 59.70 3i4m n SER 255 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3i4m s GLN 256 N -4.18 1.08 1.16 4.33 -0.21 -1.26 -5.12 119.66 115.46 3i4m s GLN 256 Ca 0.00 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.57 3i4m s GLN 256 Cb 0.00 -1.08 0.24 0.00 1.00 0.00 0.00 33.01 33.18 3i4m s GLN 256 CO 0.00 0.28 0.52 0.54 -2.12 0.00 0.00 175.29 174.52 3i4m n ARG 257 N 2.33 -3.10 0.00 2.91 1.74 -1.26 -3.80 116.66 115.48 3i4m n ARG 257 Ca -0.16 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3i4m n ARG 257 Cb 0.55 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3i4m n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4m n GLY 258 N 2.22 -2.07 0.00 -0.13 0.00 -1.26 -1.97 105.19 101.98 3i4m n GLY 258 Ca 0.08 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3i4m n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 259 N 0.00 0.00 -1.84 1.61 -0.58 -1.26 -4.25 120.64 114.32 3i4m n GLU 259 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 3i4m n GLU 259 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 3i4m n GLU 259 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i4m s ASP 260 N 0.00 5.00 0.38 1.62 -1.08 -1.25 -4.84 116.67 116.50 3i4m s ASP 260 Ca 0.00 2.60 0.19 0.00 -0.52 0.00 0.00 52.55 54.82 3i4m s ASP 260 Cb 0.00 -2.62 1.17 0.00 -1.46 0.00 0.00 42.92 40.01 3i4m s ASP 260 CO 0.00 -1.74 1.68 -0.78 0.52 0.00 0.00 175.17 174.85 3i4m h ASP 261 N 0.96 0.44 0.19 -0.34 -0.00 -1.92 0.45 116.42 116.20 3i4m h ASP 261 Ca -0.51 0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 56.67 3i4m h ASP 261 Cb 1.31 0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.75 3i4m h ASP 261 CO 0.55 -0.10 -0.09 -0.07 -0.00 0.00 0.00 179.24 179.53 3i4m h LEU 262 N 0.28 -0.22 -1.97 2.28 3.38 -1.90 -2.77 115.31 114.40 3i4m h LEU 262 Ca 0.73 -0.20 0.41 0.00 0.09 0.00 0.00 57.88 58.90 3i4m h LEU 262 Cb 1.86 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 3i4m h LEU 262 CO -0.49 0.09 1.03 0.74 0.09 0.00 0.00 178.44 179.89 3i4m h THR 263 N -0.55 0.27 0.24 0.22 2.02 -1.20 0.29 112.91 114.20 3i4m h THR 263 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3i4m h THR 263 Cb 0.41 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3i4m h THR 263 CO 0.04 0.00 -0.11 -0.26 0.37 0.00 0.00 175.52 175.56 3i4m h PHE 264 N 0.00 -0.30 -0.55 3.16 0.05 -1.27 -2.40 116.94 115.64 3i4m h PHE 264 Ca 0.67 -0.01 0.16 0.00 3.82 0.00 0.00 57.97 62.61 3i4m h PHE 264 Cb 2.72 0.10 -0.02 0.00 2.00 0.00 0.00 35.95 40.74 3i4m h PHE 264 CO 0.00 -0.08 0.66 -0.22 -0.18 0.00 0.00 178.31 178.49 3i4m h LYS 265 N -1.05 0.00 0.00 1.51 1.63 -0.78 0.75 116.57 118.63 3i4m h LYS 265 Ca -0.03 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3i4m h LYS 265 Cb 0.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3i4m h LYS 265 CO 0.05 0.00 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.85 3i4m h LEU 266 N 0.00 0.00 -0.97 5.20 3.38 -1.36 -1.78 115.31 119.78 3i4m h LEU 266 Ca 0.26 -0.50 0.27 0.00 0.09 0.00 0.00 57.88 58.00 3i4m h LEU 266 Cb 1.57 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.19 3i4m h LEU 266 CO -0.00 0.82 0.51 0.00 0.09 0.00 0.00 178.44 179.86 3i4m h ALA 267 N -0.50 1.73 0.77 1.53 0.00 -0.04 0.94 119.26 123.69 3i4m h ALA 267 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i4m h ALA 267 Cb 0.60 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i4m h ALA 267 CO -0.02 -0.41 -0.48 -0.44 0.00 0.00 0.00 179.25 177.90 3i4m h ASP 268 N 0.42 -1.21 -0.65 0.00 3.32 0.29 -1.44 116.42 117.15 3i4m h ASP 268 Ca 0.65 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.91 3i4m h ASP 268 Cb 1.34 0.35 -0.11 0.00 0.22 0.00 0.00 39.33 41.14 3i4m h ASP 268 CO -0.55 -0.73 0.03 0.40 -1.72 0.00 0.00 179.24 176.67 3i4m h ILE 269 N -1.17 0.49 0.44 0.35 2.04 0.95 -1.07 117.51 119.54 3i4m h ILE 269 Ca -0.10 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3i4m h ILE 269 Cb 0.94 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3i4m h ILE 269 CO 0.10 0.03 -0.51 0.25 0.00 0.00 0.00 178.15 178.02 3i4m h LEU 270 N 0.15 -1.41 -0.16 1.44 5.85 0.86 -1.09 115.31 120.95 3i4m h LEU 270 Ca 0.34 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.21 3i4m h LEU 270 Cb 0.56 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 3i4m h LEU 270 CO -0.53 -0.65 -0.41 0.11 -0.34 0.00 0.00 178.44 176.62 3i4m h LYS 271 N -0.96 -0.39 -1.64 1.25 1.57 -0.63 0.19 116.57 115.96 3i4m h LYS 271 Ca -0.05 0.03 0.49 0.00 -1.87 0.00 0.00 60.65 59.24 3i4m h LYS 271 Cb 0.85 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.17 3i4m h LYS 271 CO -0.10 -0.26 1.16 0.00 -0.57 0.00 0.00 179.45 179.68 3i4m h ALA 272 N -0.52 3.43 0.12 3.86 0.00 -1.05 0.14 119.26 125.25 3i4m h ALA 272 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i4m h ALA 272 Cb 0.49 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i4m h ALA 272 CO -0.36 -1.96 -0.06 -0.97 0.00 0.00 0.00 179.25 175.90 3i4m h ASN 273 N 0.03 -0.14 -0.98 0.00 -1.24 0.62 -3.16 115.58 110.70 3i4m h ASN 273 Ca 0.83 0.00 0.19 0.00 0.71 0.00 0.00 56.30 58.03 3i4m h ASN 273 Cb 3.14 0.04 -0.18 0.00 0.73 0.00 0.00 38.32 42.04 3i4m h ASN 273 CO -0.11 0.09 -0.26 -0.38 -1.29 0.00 0.00 177.43 175.48 3i4m n ILE 274 N -3.51 -0.43 -0.09 2.57 5.41 0.37 0.54 119.36 124.23 3i4m n ILE 274 Ca -0.02 2.26 -0.08 0.00 1.00 0.00 0.00 62.75 65.91 3i4m n ILE 274 Cb 0.06 -3.11 -0.01 0.00 -0.71 0.00 0.00 39.64 35.87 3i4m n ILE 274 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3i4m h SER 275 N 0.00 -0.94 -0.33 4.38 4.64 -1.30 -2.00 113.55 118.00 3i4m h SER 275 Ca 0.46 0.17 0.07 0.00 -0.47 0.00 0.00 61.79 62.01 3i4m h SER 275 Cb 0.70 0.44 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 3i4m h SER 275 CO -1.01 -0.30 -0.12 0.25 -0.87 0.00 0.00 176.83 174.77 3i4m h LEU 276 N -0.25 -0.43 -0.30 5.97 5.85 0.14 -0.85 115.31 125.43 3i4m h LEU 276 Ca 0.16 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3i4m h LEU 276 Cb 0.51 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3i4m h LEU 276 CO -0.47 -0.16 0.15 -0.08 -0.34 0.00 0.00 178.44 177.54 3i4m h GLU 277 N -0.06 0.30 0.00 1.25 4.81 -0.86 -2.29 114.58 117.74 3i4m h GLU 277 Ca 0.16 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3i4m h GLU 277 Cb 0.31 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3i4m h GLU 277 CO -0.37 0.20 -0.19 1.15 -0.73 0.00 0.00 179.01 179.07 3i4m h THR 278 N 0.31 1.01 0.00 0.32 2.02 -0.97 0.13 112.91 115.73 3i4m h THR 278 Ca 0.13 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3i4m h THR 278 Cb 0.04 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3i4m h THR 278 CO -0.09 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.17 3i4m n LEU 279 N -4.13 0.13 -0.02 2.58 4.77 -0.36 -2.43 117.00 117.54 3i4m n LEU 279 Ca -0.02 0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3i4m n LEU 279 Cb 0.26 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3i4m n LEU 279 CO 0.35 -0.26 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.35 3i4m n GLU 280 N -1.64 0.14 0.00 3.23 1.02 -0.12 -3.23 120.64 120.04 3i4m n GLU 280 Ca 0.04 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3i4m n GLU 280 Cb 0.21 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 3i4m n GLU 280 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3i4m n HIS 281 N -3.10 0.00 -3.33 -0.32 8.25 0.25 -4.45 115.22 112.53 3i4m n HIS 281 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3i4m n HIS 281 Cb 0.14 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3i4m n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i4m n ASN 282 N -1.15 0.19 -4.44 0.41 3.02 -1.02 -5.03 115.26 107.25 3i4m n ASN 282 Ca 0.00 -0.33 -0.19 0.00 -0.03 0.00 0.00 54.58 54.04 3i4m n ASN 282 Cb 0.21 0.00 -0.19 0.00 -0.61 0.00 0.00 39.78 39.19 3i4m n ASN 282 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4m n GLY 283 N 0.48 -0.42 3.39 7.41 0.00 -1.26 -4.81 105.19 109.96 3i4m n GLY 283 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3i4m n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m s ALA 284 N 0.56 3.48 0.00 4.61 0.00 -1.20 -4.80 121.76 124.41 3i4m s ALA 284 Ca 1.13 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3i4m s ALA 284 Cb -0.71 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 18.75 3i4m s ALA 284 CO 0.48 -2.50 0.69 -0.35 0.00 0.00 0.00 175.76 174.08 3i4m n PRO 285 N 6.12 0.52 0.00 0.00 -0.04 -1.26 -4.84 135.00 135.51 3i4m n PRO 285 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3i4m n PRO 285 Cb 0.45 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 3i4m n PRO 285 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i4m n HIS 286 N 1.05 0.00 0.16 0.54 8.25 -1.26 -1.89 115.22 122.08 3i4m n HIS 286 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i4m n HIS 286 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3i4m n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3i4m n HIS 287 N 0.00 0.00 0.34 4.41 8.25 -1.26 0.62 115.22 127.58 3i4m n HIS 287 Ca 0.00 -0.01 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3i4m n HIS 287 Cb 0.00 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 3i4m n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4m n ALA 288 N 0.45 2.90 -0.07 -1.41 0.00 -0.79 -4.50 120.51 117.09 3i4m n ALA 288 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 3i4m n ALA 288 Cb 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 3i4m n ALA 288 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i4m h ILE 289 N 0.14 0.91 -0.01 0.00 2.04 -0.04 -3.25 117.51 117.30 3i4m h ILE 289 Ca 0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 3i4m h ILE 289 Cb 0.18 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3i4m h ILE 289 CO 0.00 0.31 0.60 1.05 0.00 0.00 0.00 178.15 180.10 3i4m h GLU 290 N -1.00 0.00 0.00 2.37 4.11 -1.79 3.65 114.58 121.92 3i4m h GLU 290 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 3i4m h GLU 290 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i4m h GLU 290 CO -0.02 0.00 -0.13 0.93 0.07 0.00 0.00 179.01 179.86 3i4m h GLU 291 N 0.00 0.00 -0.11 1.06 5.08 -1.79 -2.82 114.58 116.01 3i4m h GLU 291 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4m h GLU 291 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3i4m h GLU 291 CO -0.00 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 3i4m n ALA 292 N -2.14 2.35 -0.09 3.43 0.00 1.19 -4.54 120.51 120.71 3i4m n ALA 292 Ca 0.03 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 3i4m n ALA 292 Cb 0.52 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 3i4m n ALA 292 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i4m n GLU 293 N 0.38 0.51 -0.46 0.00 2.13 0.09 -4.06 120.64 119.23 3i4m n GLU 293 Ca 0.06 0.47 0.41 0.00 0.66 0.00 0.00 57.16 58.76 3i4m n GLU 293 Cb 0.27 -1.65 0.65 0.00 0.27 0.00 0.00 31.44 30.98 3i4m n GLU 293 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3i4m h SER 294 N -1.00 0.00 -0.27 4.31 4.64 -1.74 1.05 113.55 120.55 3i4m h SER 294 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3i4m h SER 294 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3i4m h SER 294 CO -0.11 0.00 0.13 0.25 -0.87 0.00 0.00 176.83 176.23 3i4m h LEU 295 N 0.00 0.35 -0.15 5.97 5.85 -1.80 -1.87 115.31 123.66 3i4m h LEU 295 Ca 0.72 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 3i4m h LEU 295 Cb 3.30 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 44.23 3i4m h LEU 295 CO -0.01 0.37 0.08 0.25 -0.34 0.00 0.00 178.44 178.79 3i4m h LEU 296 N 0.30 0.19 -0.51 2.25 5.85 0.96 0.44 115.31 124.79 3i4m h LEU 296 Ca 0.09 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i4m h LEU 296 Cb 0.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3i4m h LEU 296 CO -0.01 0.22 0.11 1.67 -0.34 0.00 0.00 178.44 180.08 3i4m n GLN 297 N -4.93 0.05 -0.06 1.25 -0.06 -0.98 -1.26 117.38 111.38 3i4m n GLN 297 Ca -0.04 0.49 -0.05 0.00 -2.00 0.00 0.00 57.00 55.40 3i4m n GLN 297 Cb 0.07 -1.77 -0.02 0.00 -4.06 0.00 0.00 30.24 24.46 3i4m n GLN 297 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3i4m n PHE 298 N -1.73 0.43 -0.00 3.69 7.35 -0.01 -3.78 117.46 123.41 3i4m n PHE 298 Ca -0.01 0.19 -0.06 0.00 -0.76 0.00 0.00 57.45 56.81 3i4m n PHE 298 Cb 0.12 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 39.37 3i4m n PHE 298 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3i4m h HIS 299 N -0.77 -0.67 0.00 -5.13 3.86 -0.56 1.22 115.15 113.10 3i4m h HIS 299 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i4m h HIS 299 Cb 0.54 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3i4m h HIS 299 CO -0.23 -0.22 0.32 0.28 0.86 0.00 0.00 177.93 178.94 3i4m n VAL 300 N -3.75 0.67 -0.08 2.45 0.31 -0.39 0.79 118.33 118.33 3i4m n VAL 300 Ca -0.02 0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 64.90 3i4m n VAL 300 Cb 0.16 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 3i4m n VAL 300 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4m n ALA 301 N -1.46 0.59 0.26 3.52 0.00 0.17 -4.33 120.51 119.27 3i4m n ALA 301 Ca -0.01 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.03 3i4m n ALA 301 Cb 0.34 -0.05 0.71 0.00 0.00 0.00 0.00 19.45 20.46 3i4m n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h THR 302 N -1.00 0.76 -0.95 0.00 1.03 0.31 -1.96 112.91 111.10 3i4m h THR 302 Ca -0.07 -0.33 0.13 0.00 -0.01 0.00 0.00 66.41 66.13 3i4m h THR 302 Cb 0.72 1.20 -0.08 0.00 -1.07 0.00 0.00 68.15 68.92 3i4m h THR 302 CO -0.04 0.08 0.60 0.22 -0.01 0.00 0.00 175.52 176.38 3i4m h TYR 303 N 0.00 1.00 0.06 0.00 3.20 0.19 -2.95 116.97 118.47 3i4m h TYR 303 Ca -0.00 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.59 3i4m h TYR 303 Cb 0.19 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3i4m h TYR 303 CO 0.00 0.38 -1.72 -1.33 -1.64 0.00 0.00 178.16 173.85 3i4m n MET 304 N -4.59 0.66 -4.08 1.82 2.81 -0.91 -2.58 117.12 110.25 3i4m n MET 304 Ca 0.18 0.40 -0.23 0.00 -1.81 0.00 0.00 57.70 56.24 3i4m n MET 304 Cb 0.40 -1.71 -0.17 0.00 -0.71 0.00 0.00 33.22 31.04 3i4m n MET 304 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i4m s ASP 305 N -6.97 1.56 -0.01 7.83 -1.08 -0.79 -1.09 116.67 116.12 3i4m s ASP 305 Ca -0.27 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 51.66 3i4m s ASP 305 Cb 0.07 -0.61 -0.13 0.00 -1.46 0.00 0.00 42.92 40.78 3i4m s ASP 305 CO 0.67 -0.09 0.22 -3.20 0.52 0.00 0.00 175.17 173.29 3i4m n ASN 306 N 4.48 2.62 -4.24 -0.34 2.85 -1.21 -3.61 115.26 115.82 3i4m n ASN 306 Ca -0.17 -0.10 -0.44 0.00 -0.11 0.00 0.00 54.58 53.76 3i4m n ASN 306 Cb 0.51 1.35 0.00 0.00 1.24 0.00 0.00 39.78 42.87 3i4m n ASN 306 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3i4m n ASP 307 N -1.72 5.42 -0.37 1.20 8.00 -1.26 -4.71 116.55 123.11 3i4m n ASP 307 Ca -0.01 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.41 3i4m n ASP 307 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 3i4m n ASP 307 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i4m n ILE 308 N 3.45 0.00 -0.09 0.53 5.41 -1.26 -5.10 119.36 122.30 3i4m n ILE 308 Ca 0.33 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.93 3i4m n ILE 308 Cb 0.39 -0.71 -0.07 0.00 -0.71 0.00 0.00 39.64 38.54 3i4m n ILE 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m n ALA 309 N -3.00 0.71 -1.02 -1.39 0.00 -1.26 -4.47 120.51 110.07 3i4m n ALA 309 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 3i4m n ALA 309 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 3i4m n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4m n GLY 310 N 1.48 2.86 0.00 0.00 0.00 -1.26 -4.85 105.19 103.42 3i4m n GLY 310 Ca -0.24 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3i4m n GLY 310 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i4m n GLN 311 N 5.93 0.00 0.00 1.61 6.02 -1.26 -4.78 117.38 124.90 3i4m n GLN 311 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3i4m n GLN 311 Cb 0.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.56 3i4m n GLN 311 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3i4m n PRO 312 N 0.00 0.00 0.00 -1.09 -0.02 -1.26 -4.65 135.00 127.98 3i4m n PRO 312 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i4m n PRO 312 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i4m n PRO 312 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i4m n GLN 313 N 0.00 0.20 -3.86 -0.52 1.13 -1.26 -4.84 117.38 108.23 3i4m n GLN 313 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 3i4m n GLN 313 Cb 0.00 -1.01 0.01 0.00 0.11 0.00 0.00 30.24 29.35 3i4m n GLN 313 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i4m n ALA 314 N -0.43 -2.73 -1.83 -1.58 0.00 -1.26 -4.72 120.51 107.96 3i4m n ALA 314 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3i4m n ALA 314 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 3i4m n ALA 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i4m s LEU 315 N -5.81 4.38 -1.31 0.00 1.43 -1.26 -4.46 118.68 111.65 3i4m s LEU 315 Ca 0.18 2.76 -0.17 0.00 -1.03 0.00 0.00 54.13 55.87 3i4m s LEU 315 Cb -0.10 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.56 3i4m s LEU 315 CO 0.92 -0.73 1.76 1.67 0.23 0.00 0.00 176.35 180.20 3i4m n GLN 316 N 1.84 3.18 -0.09 1.70 0.00 0.60 -4.78 117.38 119.83 3i4m n GLN 316 Ca 0.05 -3.26 0.00 0.00 -0.00 0.00 0.00 57.00 53.79 3i4m n GLN 316 Cb 0.40 -3.46 0.00 0.00 0.00 0.00 0.00 30.24 27.18 3i4m n GLN 316 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3i4m n LYS 317 N 8.05 0.00 0.00 3.69 5.02 -1.26 -3.87 118.16 129.78 3i4m n LYS 317 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3i4m n LYS 317 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3i4m n LYS 317 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i4m n SER 318 N 0.37 0.00 0.00 4.39 3.41 -1.26 -4.87 113.62 115.65 3i4m n SER 318 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i4m n SER 318 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i4m n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4m n GLY 319 N 0.00 2.81 3.58 5.00 0.00 -1.25 -5.04 105.19 110.28 3i4m n GLY 319 Ca 0.00 -0.31 -0.47 0.00 0.00 0.00 0.00 46.02 45.24 3i4m n GLY 319 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i4m n ARG 320 N 0.00 1.20 0.00 1.61 0.63 -1.26 -4.62 116.66 114.22 3i4m n ARG 320 Ca 0.00 0.42 0.14 0.00 -0.92 0.00 0.00 57.85 57.50 3i4m n ARG 320 Cb 0.00 -1.85 0.62 0.00 0.45 0.00 0.00 32.46 31.68 3i4m n ARG 320 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3i4m n PRO 321 N 1.30 0.41 -1.72 -0.14 -0.02 -1.26 0.22 135.00 133.78 3i4m n PRO 321 Ca 0.13 -0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 3i4m n PRO 321 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 3i4m n PRO 321 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i4m n VAL 322 N -1.21 -6.86 -1.61 -1.45 3.14 -1.26 -4.43 118.33 104.65 3i4m n VAL 322 Ca 0.12 1.23 -0.43 0.00 -2.96 0.00 0.00 64.34 62.30 3i4m n VAL 322 Cb 0.28 -4.48 -0.03 0.00 -1.06 0.00 0.00 33.84 28.55 3i4m n VAL 322 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i4m n LYS 323 N 0.72 2.13 -2.52 1.45 4.01 -1.26 -4.89 118.16 117.81 3i4m n LYS 323 Ca -0.08 0.64 -0.35 0.00 -0.51 0.00 0.00 58.31 58.01 3i4m n LYS 323 Cb 0.12 -3.15 -0.04 0.00 -0.51 0.00 0.00 35.03 31.46 3i4m n LYS 323 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3i4m s SER 324 N 7.36 6.54 0.19 4.39 1.04 -1.26 -4.83 113.70 127.13 3i4m s SER 324 Ca 0.99 2.01 -0.18 0.00 0.48 0.00 0.00 55.95 59.25 3i4m s SER 324 Cb -0.39 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.31 3i4m s SER 324 CO 0.38 -0.65 1.61 0.40 0.98 0.00 0.00 173.24 175.96 3i4m h ILE 325 N 1.90 0.27 -0.96 -1.02 2.04 -1.32 0.31 117.51 118.73 3i4m h ILE 325 Ca -0.49 0.00 0.27 0.00 1.00 0.00 0.00 64.86 65.64 3i4m h ILE 325 Cb 1.22 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3i4m h ILE 325 CO 0.61 0.00 0.67 0.08 0.00 0.00 0.00 178.15 179.51 3i4m h ARG 326 N -0.12 0.09 0.00 2.37 -0.00 -1.41 1.23 114.38 116.55 3i4m h ARG 326 Ca 0.25 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 60.16 3i4m h ARG 326 Cb 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.45 3i4m h ARG 326 CO -0.63 0.06 -0.28 0.00 -0.00 0.00 0.00 179.97 179.12 3i4m h ALA 327 N 1.54 1.05 -0.27 0.08 0.00 -0.62 -1.37 119.26 119.67 3i4m h ALA 327 Ca 0.47 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3i4m h ALA 327 Cb 1.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3i4m h ALA 327 CO -0.06 0.35 -0.31 0.00 0.00 0.00 0.00 179.25 179.23 3i4m h ARG 328 N 0.00 0.57 0.00 0.00 3.08 0.18 -3.19 114.38 115.02 3i4m h ARG 328 Ca -0.00 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 3i4m h ARG 328 Cb 0.76 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3i4m h ARG 328 CO 0.04 0.81 -1.47 1.28 -1.07 0.00 0.00 179.97 179.56 3i4m n LEU 329 N -4.08 0.65 -4.56 3.04 4.77 -1.11 -0.98 117.00 114.73 3i4m n LEU 329 Ca -0.01 0.27 -0.59 0.00 -0.03 0.00 0.00 56.01 55.65 3i4m n LEU 329 Cb 0.46 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3i4m n LEU 329 CO 0.44 0.06 0.75 1.17 -1.33 0.00 0.00 177.39 178.47 3i4m n LYS 330 N -2.72 0.24 -0.53 3.23 4.81 -0.53 -3.94 118.16 118.72 3i4m n LYS 330 Ca -0.08 0.09 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 3i4m n LYS 330 Cb 0.74 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 34.16 3i4m n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i4m n GLY 331 N 2.18 -0.50 1.52 3.14 0.00 -1.26 -2.49 105.19 107.77 3i4m n GLY 331 Ca 0.22 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3i4m n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i4m n LYS 332 N 0.42 -4.17 0.00 1.61 3.00 -1.26 -4.25 118.16 113.50 3i4m n LYS 332 Ca 0.07 3.02 0.00 0.00 -0.00 0.00 0.00 58.31 61.40 3i4m n LYS 332 Cb 0.08 -3.29 0.00 0.00 0.00 0.00 0.00 35.03 31.82 3i4m n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i4m n GLU 333 N 0.51 0.00 -1.92 1.64 -0.58 -1.26 -4.74 120.64 114.30 3i4m n GLU 333 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 3i4m n GLU 333 Cb 0.00 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 29.15 3i4m n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i4m s GLY 334 N -0.61 2.88 0.34 0.62 0.00 -1.04 -4.53 107.32 104.98 3i4m s GLY 334 Ca 0.00 1.27 0.25 0.00 0.00 0.00 0.00 44.72 46.24 3i4m s GLY 334 CO 0.00 1.81 1.20 -2.13 0.00 0.00 0.00 173.10 173.98 3i4m n ARG 335 N -0.58 -0.03 0.00 2.90 3.00 -0.15 -0.55 116.66 121.25 3i4m n ARG 335 Ca 0.08 0.97 0.00 0.00 -0.00 0.00 0.00 57.85 58.89 3i4m n ARG 335 Cb 0.45 -1.90 0.00 0.00 0.00 0.00 0.00 32.46 31.01 3i4m n ARG 335 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3i4m n ILE 336 N -4.24 0.00 0.11 5.15 2.08 -1.26 -2.45 119.36 118.76 3i4m n ILE 336 Ca 0.31 0.12 0.16 0.00 0.56 0.00 0.00 62.75 63.90 3i4m n ILE 336 Cb 1.20 -0.43 0.70 0.00 -0.75 0.00 0.00 39.64 40.36 3i4m n ILE 336 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3i4m h ARG 337 N 0.00 0.00 -0.01 0.38 3.08 -1.73 -2.26 114.38 113.84 3i4m h ARG 337 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i4m h ARG 337 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i4m h ARG 337 CO 0.00 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.29 3i4m n GLY 338 N -1.57 -0.27 0.00 0.04 0.00 0.29 -4.02 105.19 99.66 3i4m n GLY 338 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i4m n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4m n ASN 339 N 0.56 3.59 -0.11 1.61 3.02 -1.14 -4.55 115.26 118.25 3i4m n ASN 339 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 3i4m n ASN 339 Cb 0.28 0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.52 3i4m n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4m n LEU 340 N -2.01 1.57 0.13 3.41 4.77 -0.97 -3.95 117.00 119.94 3i4m n LEU 340 Ca 0.00 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3i4m n LEU 340 Cb 0.40 -0.23 0.19 0.00 -2.33 0.00 0.00 43.42 41.46 3i4m n LEU 340 CO 0.00 0.70 0.55 0.24 -1.33 0.00 0.00 177.39 177.55 3i4m h MET 341 N 0.00 0.00 -1.21 3.23 2.86 -1.61 -3.40 114.93 114.80 3i4m h MET 341 Ca -0.53 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3i4m h MET 341 Cb 2.00 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 33.43 3i4m h MET 341 CO -0.03 0.00 -0.32 0.20 1.06 0.00 0.00 176.91 177.82 3i4m s GLY 342 N -3.96 -0.86 0.48 8.32 0.00 -1.26 -5.03 107.32 105.01 3i4m s GLY 342 Ca 0.06 1.64 0.07 0.00 0.00 0.00 0.00 44.72 46.49 3i4m s GLY 342 CO 0.69 3.21 0.44 0.54 0.00 0.00 0.00 173.10 177.98 3i4m s LYS 343 N 2.79 2.40 0.26 2.90 1.02 -1.25 -3.35 119.74 124.51 3i4m s LYS 343 Ca 0.19 -1.72 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 3i4m s LYS 343 Cb -0.15 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3i4m s LYS 343 CO -0.20 -0.42 0.47 0.50 -0.92 0.00 0.00 175.35 174.78 3i4m s ARG 344 N -4.25 3.56 0.07 1.68 3.52 -1.26 -5.09 118.95 117.18 3i4m s ARG 344 Ca 0.45 -0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3i4m s ARG 344 Cb -0.03 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 3i4m s ARG 344 CO 0.27 0.29 0.04 0.14 -0.81 0.00 0.00 175.30 175.24 3i4m s VAL 345 N -2.02 0.18 0.67 7.11 -7.23 -1.26 -5.14 120.40 112.71 3i4m s VAL 345 Ca 0.41 -1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 58.88 3i4m s VAL 345 Cb -0.11 -1.53 0.05 0.00 0.56 0.00 0.00 36.38 35.35 3i4m s VAL 345 CO 0.30 -0.84 0.97 -1.81 -0.31 0.00 0.00 175.10 173.41 3i4m s ASP 346 N -2.92 5.02 -1.17 4.85 1.01 -1.26 -4.46 116.67 117.73 3i4m s ASP 346 Ca 0.08 0.46 -0.12 0.00 0.71 0.00 0.00 52.55 53.68 3i4m s ASP 346 Cb 0.07 -1.20 -0.02 0.00 1.01 0.00 0.00 42.92 42.78 3i4m s ASP 346 CO -0.09 -1.44 0.77 0.49 0.21 0.00 0.00 175.17 175.11 3i4m n PHE 347 N -2.79 -2.00 -3.84 4.23 3.01 -1.26 -4.86 117.46 109.96 3i4m n PHE 347 Ca 0.07 0.63 -0.11 0.00 1.01 0.00 0.00 57.45 59.05 3i4m n PHE 347 Cb 0.60 -3.79 -0.09 0.00 -0.01 0.00 0.00 39.48 36.19 3i4m n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i4m s SER 348 N -3.71 -0.01 0.09 4.37 1.04 -1.26 -1.27 113.70 112.96 3i4m s SER 348 Ca 0.34 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 3i4m s SER 348 Cb -0.10 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3i4m s SER 348 CO 0.83 -0.48 0.28 0.00 0.98 0.00 0.00 173.24 174.85 3i4m s ALA 349 N -1.96 -0.54 -0.07 5.32 0.00 0.16 -4.97 121.76 119.71 3i4m s ALA 349 Ca -0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3i4m s ALA 349 Cb -0.04 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.63 3i4m s ALA 349 CO -0.01 -0.54 0.24 0.50 0.00 0.00 0.00 175.76 175.96 3i4m s ARG 350 N -3.61 0.37 0.24 0.00 3.52 -1.26 0.00 118.95 118.21 3i4m s ARG 350 Ca 0.02 0.17 -0.22 0.00 -0.13 0.00 0.00 55.73 55.58 3i4m s ARG 350 Cb 0.03 0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.64 3i4m s ARG 350 CO -0.10 -0.06 0.86 0.95 -0.81 0.00 0.00 175.30 176.13 3i4m s THR 351 N -0.27 0.00 0.16 4.11 -4.23 -1.18 -4.97 115.64 109.26 3i4m s THR 351 Ca -0.04 -0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 59.34 3i4m s THR 351 Cb -0.03 -2.25 -0.07 0.00 1.34 0.00 0.00 72.50 71.49 3i4m s THR 351 CO 0.01 0.00 1.12 0.68 -0.54 0.00 0.00 174.62 175.89 3i4m s VAL 352 N -3.22 3.90 0.00 2.29 -7.23 -1.26 -1.89 120.40 112.99 3i4m s VAL 352 Ca 0.13 1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 61.78 3i4m s VAL 352 Cb -0.04 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 32.84 3i4m s VAL 352 CO 0.06 0.25 0.35 0.27 -0.31 0.00 0.00 175.10 175.72 3i4m s ILE 353 N -0.02 5.15 -0.09 -0.62 -4.36 -0.17 -2.74 121.20 118.34 3i4m s ILE 353 Ca 0.51 0.57 -0.03 0.00 -0.26 0.00 0.00 60.65 61.44 3i4m s ILE 353 Cb -0.29 -3.63 0.04 0.00 1.25 0.00 0.00 42.46 39.83 3i4m s ILE 353 CO 0.34 0.49 0.07 -0.94 0.24 0.00 0.00 174.94 175.14 3i4m s SER 354 N -1.31 1.64 0.36 4.36 1.04 -0.67 -4.67 113.70 114.45 3i4m s SER 354 Ca 0.25 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 3i4m s SER 354 Cb -0.15 -0.18 -0.12 0.00 0.10 0.00 0.00 66.02 65.67 3i4m s SER 354 CO 0.13 -0.29 1.16 0.61 0.98 0.00 0.00 173.24 175.83 3i4m n GLY 355 N 5.29 0.20 2.99 7.32 0.00 -1.26 -4.02 105.19 115.71 3i4m n GLY 355 Ca -0.05 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3i4m n GLY 355 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i4m s ASP 356 N -0.49 1.50 -0.02 1.61 -1.08 -0.91 -4.94 116.67 112.34 3i4m s ASP 356 Ca 0.59 -0.24 0.16 0.00 -0.52 0.00 0.00 52.55 52.53 3i4m s ASP 356 Cb -0.59 -0.67 0.50 0.00 -1.46 0.00 0.00 42.92 40.69 3i4m s ASP 356 CO 0.60 0.02 1.40 -0.81 0.52 0.00 0.00 175.17 176.90 3i4m n PRO 357 N 3.80 2.44 -0.27 4.34 -0.04 -1.26 -3.77 135.00 140.25 3i4m n PRO 357 Ca -0.23 -2.00 0.07 0.00 -0.04 0.00 0.00 63.50 61.30 3i4m n PRO 357 Cb 0.52 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 3i4m n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i4m n ASN 358 N 1.03 3.18 -4.83 3.54 3.02 -1.26 -4.56 115.26 115.38 3i4m n ASN 358 Ca 0.18 -2.69 -0.22 0.00 -0.03 0.00 0.00 54.58 51.83 3i4m n ASN 358 Cb 0.51 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3i4m n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i4m s LEU 359 N -2.23 3.46 0.35 3.41 1.43 -1.25 -5.11 118.68 118.74 3i4m s LEU 359 Ca 0.32 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 3i4m s LEU 359 Cb 0.24 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 3i4m s LEU 359 CO 0.08 -0.42 0.75 -1.61 0.23 0.00 0.00 176.35 175.38 3i4m s GLU 360 N -3.99 3.92 0.24 1.70 0.41 -1.26 -4.86 118.70 114.85 3i4m s GLU 360 Ca 0.42 0.59 -0.14 0.00 -0.41 0.00 0.00 54.97 55.43 3i4m s GLU 360 Cb -0.04 -2.41 0.31 0.00 -1.78 0.00 0.00 34.13 30.20 3i4m s GLU 360 CO 0.26 0.08 1.56 1.25 -0.49 0.00 0.00 175.26 177.92 3i4m h LEU 361 N 1.87 -1.20 -1.05 1.80 5.85 -1.95 -0.92 115.31 119.71 3i4m h LEU 361 Ca -0.48 0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3i4m h LEU 361 Cb 1.18 0.68 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3i4m h LEU 361 CO 0.65 -0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 177.55 3i4m n ASP 362 N -5.52 1.40 -5.03 1.25 3.85 -1.26 -4.41 116.55 106.83 3i4m n ASP 362 Ca 0.12 -2.10 -0.19 0.00 -0.71 0.00 0.00 54.79 51.91 3i4m n ASP 362 Cb 0.43 -0.33 0.05 0.00 -1.35 0.00 0.00 41.12 39.92 3i4m n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i4m s GLN 363 N -1.57 2.39 -0.27 0.11 -0.21 -0.35 0.21 119.66 119.97 3i4m s GLN 363 Ca 0.10 -1.59 -0.06 0.00 0.02 0.00 0.00 55.36 53.84 3i4m s GLN 363 Cb 0.07 -2.65 0.14 0.00 1.00 0.00 0.00 33.01 31.57 3i4m s GLN 363 CO 0.05 -0.75 0.55 0.54 -2.12 0.00 0.00 175.29 173.56 3i4m s VAL 364 N -2.62 -0.87 -0.37 1.09 0.11 -0.42 -4.22 120.40 113.11 3i4m s VAL 364 Ca 0.60 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.39 3i4m s VAL 364 Cb -0.06 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3i4m s VAL 364 CO 0.37 0.00 1.75 -0.83 -3.33 0.00 0.00 175.10 173.07 3i4m s GLY 365 N 2.78 0.77 -0.17 6.54 0.00 0.44 -3.00 107.32 114.68 3i4m s GLY 365 Ca 0.04 0.12 -0.09 0.00 0.00 0.00 0.00 44.72 44.79 3i4m s GLY 365 CO -0.18 3.22 0.12 0.14 0.00 0.00 0.00 173.10 176.40 3i4m s VAL 366 N 6.92 5.31 0.25 1.40 1.01 -1.12 -1.35 120.40 132.82 3i4m s VAL 366 Ca 0.76 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3i4m s VAL 366 Cb -0.20 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 3i4m s VAL 366 CO 0.32 0.50 1.34 -2.16 0.00 0.00 0.00 175.10 175.10 3i4m s PRO 367 N -0.05 4.35 0.37 2.72 0.04 -1.26 0.86 135.00 142.03 3i4m s PRO 367 Ca 0.09 2.17 0.16 0.00 0.04 0.00 0.00 61.00 63.46 3i4m s PRO 367 Cb -0.11 -3.13 1.04 0.00 0.04 0.00 0.00 34.50 32.33 3i4m s PRO 367 CO 0.00 -0.27 1.74 -0.22 0.04 0.00 0.00 177.00 178.29 3i4m h LYS 368 N 4.67 0.43 -0.34 4.56 3.64 -0.98 0.91 116.57 129.46 3i4m h LYS 368 Ca -0.46 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3i4m h LYS 368 Cb 1.22 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.86 3i4m h LYS 368 CO 0.74 0.29 -0.46 1.03 -2.27 0.00 0.00 179.45 178.77 3i4m h SER 369 N 0.44 -1.53 0.53 4.20 0.87 -1.90 -1.00 113.55 115.17 3i4m h SER 369 Ca 0.63 0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 61.28 3i4m h SER 369 Cb 1.46 0.64 -0.02 0.00 -0.44 0.00 0.00 62.40 64.05 3i4m h SER 369 CO -0.38 -0.40 -0.59 0.40 -0.53 0.00 0.00 176.83 175.34 3i4m h ILE 370 N -0.39 1.41 -0.43 2.23 2.04 -1.26 -2.82 117.51 118.28 3i4m h ILE 370 Ca 0.11 -2.00 0.03 0.00 1.00 0.00 0.00 64.86 64.00 3i4m h ILE 370 Cb 0.60 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 3i4m h ILE 370 CO -0.54 0.58 0.29 0.00 0.00 0.00 0.00 178.15 178.47 3i4m h ALA 371 N 1.36 1.82 -0.00 1.87 0.00 -0.11 -0.37 119.26 123.82 3i4m h ALA 371 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i4m h ALA 371 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i4m h ALA 371 CO 0.08 0.13 -0.36 1.63 0.00 0.00 0.00 179.25 180.73 3i4m n LYS 372 N -4.48 0.02 -0.11 0.00 5.02 -0.48 -2.93 118.16 115.21 3i4m n LYS 372 Ca 0.05 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 3i4m n LYS 372 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 3i4m n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i4m n THR 373 N -1.48 1.54 -2.46 -0.18 -1.04 -0.27 -4.90 114.28 105.50 3i4m n THR 373 Ca 0.06 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 3i4m n THR 373 Cb 0.34 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 3i4m n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i4m s LEU 374 N -7.81 4.38 0.00 -4.42 1.43 -0.50 -5.05 118.68 106.71 3i4m s LEU 374 Ca -0.30 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3i4m s LEU 374 Cb 0.07 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.74 3i4m s LEU 374 CO 0.58 -0.43 0.25 0.35 0.23 0.00 0.00 176.35 177.33 3i4m n THR 375 N 3.80 0.00 -3.52 5.49 -2.24 -1.26 -2.79 114.28 113.76 3i4m n THR 375 Ca 0.08 -2.29 -0.11 0.00 -2.27 0.00 0.00 64.05 59.47 3i4m n THR 375 Cb 0.47 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 3i4m n THR 375 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i4m s TYR 376 N -2.79 -0.68 -0.08 4.78 5.04 -0.59 -4.81 117.35 118.22 3i4m s TYR 376 Ca 0.19 1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 55.54 3i4m s TYR 376 Cb -0.01 0.06 -0.06 0.00 0.35 0.00 0.00 41.96 42.30 3i4m s TYR 376 CO 0.12 -0.56 1.76 -1.25 -1.34 0.00 0.00 175.55 174.28 3i4m s PRO 377 N 2.52 4.01 -0.07 4.97 0.04 -1.26 -1.96 135.00 143.25 3i4m s PRO 377 Ca 0.05 2.17 0.04 0.00 0.04 0.00 0.00 61.00 63.31 3i4m s PRO 377 Cb -0.14 -4.07 -0.00 0.00 0.04 0.00 0.00 34.50 30.34 3i4m s PRO 377 CO -0.13 -1.06 -0.21 -2.00 0.04 0.00 0.00 177.00 173.65 3i4m s GLU 378 N 4.44 2.47 0.37 4.56 2.12 -1.26 -4.88 118.70 126.51 3i4m s GLU 378 Ca 0.79 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 3i4m s GLU 378 Cb -0.34 -1.97 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 3i4m s GLU 378 CO 0.33 0.20 0.98 0.14 -0.54 0.00 0.00 175.26 176.37 3i4m s VAL 379 N 0.24 4.09 -0.10 3.70 -7.23 -1.26 0.97 120.40 120.81 3i4m s VAL 379 Ca -0.12 1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 61.35 3i4m s VAL 379 Cb -0.16 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 3i4m s VAL 379 CO 0.06 0.01 1.20 -0.69 -0.31 0.00 0.00 175.10 175.37 3i4m s VAL 380 N -1.74 4.31 -0.00 1.32 1.01 0.59 -4.87 120.40 121.02 3i4m s VAL 380 Ca 0.55 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.15 3i4m s VAL 380 Cb -0.18 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3i4m s VAL 380 CO 0.23 -0.06 -0.00 -0.89 0.00 0.00 0.00 175.10 174.38 3i4m s THR 381 N 2.68 0.03 -1.02 3.92 2.01 -1.26 -1.38 115.64 120.62 3i4m s THR 381 Ca 0.54 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.54 3i4m s THR 381 Cb -0.23 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.24 3i4m s THR 381 CO 0.18 0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.32 3i4m n PRO 382 N 3.14 0.00 -0.11 4.92 -0.04 -1.26 0.15 135.00 141.80 3i4m n PRO 382 Ca -0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.10 3i4m n PRO 382 Cb 0.59 -0.92 -0.08 0.00 -0.04 0.00 0.00 33.50 33.05 3i4m n PRO 382 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i4m n TYR 383 N 0.12 0.00 0.76 0.54 0.53 -1.26 -4.67 117.16 113.18 3i4m n TYR 383 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.96 3i4m n TYR 383 Cb 0.00 -0.77 -0.08 0.00 -1.03 0.00 0.00 39.34 37.46 3i4m n TYR 383 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3i4m n ASN 384 N -3.98 0.91 -0.28 7.72 0.23 0.30 -4.57 115.26 115.60 3i4m n ASN 384 Ca -0.42 -0.95 0.26 0.00 -0.53 0.00 0.00 54.58 52.94 3i4m n ASN 384 Cb 0.80 0.92 0.47 0.00 -2.08 0.00 0.00 39.78 39.89 3i4m n ASN 384 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3i4m n ILE 385 N -1.18 -0.28 0.00 1.53 2.08 0.39 -0.01 119.36 121.89 3i4m n ILE 385 Ca 0.04 1.50 0.00 0.00 0.56 0.00 0.00 62.75 64.84 3i4m n ILE 385 Cb 0.27 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.72 3i4m n ILE 385 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3i4m n ASP 386 N -4.58 0.00 -0.36 4.38 8.00 -1.26 -2.21 116.55 120.52 3i4m n ASP 386 Ca 0.30 0.53 0.02 0.00 0.71 0.00 0.00 54.79 56.35 3i4m n ASP 386 Cb 1.05 -0.25 0.09 0.00 -0.02 0.00 0.00 41.12 41.98 3i4m n ASP 386 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3i4m n ARG 387 N -1.25 -0.16 -0.17 -1.24 0.63 -0.04 -0.63 116.66 113.80 3i4m n ARG 387 Ca 0.00 1.51 -0.01 0.00 -0.92 0.00 0.00 57.85 58.42 3i4m n ARG 387 Cb 0.00 -2.24 0.07 0.00 0.45 0.00 0.00 32.46 30.74 3i4m n ARG 387 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i4m h LEU 388 N 0.00 -0.11 -1.30 6.15 3.38 -0.54 0.01 115.31 122.90 3i4m h LEU 388 Ca 0.40 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.44 3i4m h LEU 388 Cb 0.65 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3i4m h LEU 388 CO -0.98 -0.03 0.03 0.74 0.09 0.00 0.00 178.44 178.28 3i4m h THR 389 N 0.18 1.18 0.77 0.22 2.02 -0.39 -0.16 112.91 116.73 3i4m h THR 389 Ca 0.27 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3i4m h THR 389 Cb 0.39 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3i4m h THR 389 CO -0.39 0.24 -0.45 -0.61 0.37 0.00 0.00 175.52 174.67 3i4m h GLN 390 N 0.48 -1.09 -0.20 6.66 5.75 -0.38 -0.79 115.11 125.55 3i4m h GLN 390 Ca 0.11 0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.72 3i4m h GLN 390 Cb 0.27 0.25 -0.07 0.00 1.07 0.00 0.00 27.48 29.00 3i4m h GLN 390 CO 0.01 -0.73 -0.51 -0.07 -2.65 0.00 0.00 178.83 174.87 3i4m h LEU 391 N -1.14 -1.64 0.00 -2.39 3.38 -0.75 1.17 115.31 113.94 3i4m h LEU 391 Ca -0.10 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i4m h LEU 391 Cb 0.90 0.66 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3i4m h LEU 391 CO 0.12 -0.45 0.00 0.52 0.09 0.00 0.00 178.44 178.71 3i4m n VAL 392 N -5.43 0.00 0.00 1.22 0.31 -0.11 0.85 118.33 115.18 3i4m n VAL 392 Ca -0.05 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 3i4m n VAL 392 Cb 0.37 -1.64 0.01 0.00 -0.91 0.00 0.00 33.84 31.67 3i4m n VAL 392 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i4m n ARG 393 N -1.12 0.00 0.10 5.55 1.74 -0.31 0.11 116.66 122.73 3i4m n ARG 393 Ca 0.00 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 3i4m n ARG 393 Cb 0.00 -1.64 0.41 0.00 -1.02 0.00 0.00 32.46 30.22 3i4m n ARG 393 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i4m n ASN 394 N -1.39 0.78 0.00 0.55 2.85 0.40 -4.97 115.26 113.48 3i4m n ASN 394 Ca -0.00 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 3i4m n ASN 394 Cb 0.13 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.36 3i4m n ASN 394 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i4m n GLY 395 N 1.29 -0.42 1.50 8.20 0.00 0.29 -4.47 105.19 111.58 3i4m n GLY 395 Ca 0.06 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 3i4m n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4m n PRO 396 N 0.08 2.10 0.00 1.61 -0.04 -1.08 -2.92 135.00 134.75 3i4m n PRO 396 Ca 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 3i4m n PRO 396 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 3i4m n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i4m n ASN 397 N -0.12 2.75 -4.80 3.54 4.13 -1.26 -4.90 115.26 114.60 3i4m n ASN 397 Ca 0.25 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.16 3i4m n ASN 397 Cb 0.99 0.25 -0.06 0.00 -1.54 0.00 0.00 39.78 39.42 3i4m n ASN 397 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3i4m s GLU 398 N -1.56 4.27 0.00 3.52 2.02 -1.26 -5.00 118.70 120.69 3i4m s GLU 398 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.28 3i4m s GLU 398 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.80 3i4m s GLU 398 CO 0.00 -0.01 0.28 1.58 0.02 0.00 0.00 175.26 177.14 3i4m n HIS 399 N -0.20 0.00 -1.55 1.61 -0.00 -1.26 -3.89 115.22 109.93 3i4m n HIS 399 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.52 3i4m n HIS 399 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.43 3i4m n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3i4m n PRO 400 N -0.42 0.65 0.00 1.57 -0.02 -1.26 -4.65 135.00 130.86 3i4m n PRO 400 Ca 0.00 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 3i4m n PRO 400 Cb 0.00 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.31 3i4m n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4m n GLY 401 N 6.35 3.81 3.59 -1.23 0.00 -1.25 -4.72 105.19 111.75 3i4m n GLY 401 Ca 0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 3i4m n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m s ALA 402 N -1.08 -2.03 -0.04 4.61 0.00 -1.15 -1.45 121.76 120.61 3i4m s ALA 402 Ca 0.00 1.61 0.11 0.00 0.00 0.00 0.00 51.96 53.68 3i4m s ALA 402 Cb 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 23.12 22.48 3i4m s ALA 402 CO 0.00 -0.47 0.19 0.36 0.00 0.00 0.00 175.76 175.83 3i4m n LYS 403 N 0.18 0.90 -4.26 0.00 2.85 -1.14 -2.65 118.16 114.05 3i4m n LYS 403 Ca -0.02 -0.07 -0.18 0.00 -1.05 0.00 0.00 58.31 56.98 3i4m n LYS 403 Cb 0.59 -1.27 -0.13 0.00 -0.65 0.00 0.00 35.03 33.57 3i4m n LYS 403 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i4m s TYR 404 N -2.63 0.98 -0.05 5.58 4.12 -1.20 -1.10 117.35 123.05 3i4m s TYR 404 Ca -0.04 -0.34 0.03 0.00 0.02 0.00 0.00 57.07 56.73 3i4m s TYR 404 Cb 0.06 -0.58 0.00 0.00 -1.52 0.00 0.00 41.96 39.92 3i4m s TYR 404 CO 0.45 0.00 -0.14 0.08 0.02 0.00 0.00 175.55 175.96 3i4m s VAL 405 N -0.85 1.22 -0.21 0.71 1.01 -1.02 -1.63 120.40 119.62 3i4m s VAL 405 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3i4m s VAL 405 Cb -0.07 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.28 3i4m s VAL 405 CO 0.01 0.36 -0.09 -0.63 0.00 0.00 0.00 175.10 174.75 3i4m s ILE 406 N 0.30 1.65 1.14 2.22 1.01 0.80 -0.67 121.20 127.65 3i4m s ILE 406 Ca -0.08 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 3i4m s ILE 406 Cb -0.13 -1.77 0.27 0.00 0.01 0.00 0.00 42.46 40.85 3i4m s ILE 406 CO 0.03 0.10 1.19 -0.13 0.00 0.00 0.00 174.94 176.13 3i4m s ARG 407 N 1.38 -0.77 0.08 2.79 3.00 -1.25 -1.36 118.95 122.82 3i4m s ARG 407 Ca -0.03 -0.25 -0.29 0.00 0.00 0.00 0.00 55.73 55.16 3i4m s ARG 407 Cb -0.17 -1.67 -0.17 0.00 0.00 0.00 0.00 34.95 32.95 3i4m s ARG 407 CO -0.08 -3.38 1.67 -0.44 0.00 0.00 0.00 175.30 173.08 3i4m h ASP 408 N -2.34 -0.46 -0.03 0.23 5.19 -1.92 -3.36 116.42 113.73 3i4m h ASP 408 Ca -0.44 0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 55.78 3i4m h ASP 408 Cb 1.27 0.13 0.05 0.00 0.18 0.00 0.00 39.33 40.96 3i4m h ASP 408 CO 0.32 -0.32 0.72 -1.54 -3.12 0.00 0.00 179.24 175.30 3i4m n SER 409 N -5.32 0.36 0.00 6.45 3.41 -1.26 -4.61 113.62 112.65 3i4m n SER 409 Ca -0.10 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3i4m n SER 409 Cb 0.23 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 3i4m n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4m n GLY 410 N 5.08 0.00 3.37 5.00 0.00 -1.26 -4.75 105.19 112.64 3i4m n GLY 410 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 3i4m n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i4m s ASP 411 N 0.00 -0.55 -0.04 1.61 2.15 -1.26 -5.09 116.67 113.49 3i4m s ASP 411 Ca 0.00 1.12 -0.20 0.00 0.43 0.00 0.00 52.55 53.90 3i4m s ASP 411 Cb 0.00 1.32 -0.05 0.00 -0.30 0.00 0.00 42.92 43.89 3i4m s ASP 411 CO 0.00 -0.22 0.57 0.00 -0.17 0.00 0.00 175.17 175.35 3i4m s ARG 412 N 2.16 4.31 -0.37 4.34 1.70 -1.26 -3.82 118.95 126.01 3i4m s ARG 412 Ca -0.06 0.67 -0.19 0.00 -0.47 0.00 0.00 55.73 55.68 3i4m s ARG 412 Cb -0.10 -3.37 0.01 0.00 -0.57 0.00 0.00 34.95 30.92 3i4m s ARG 412 CO -0.15 0.31 0.57 0.42 -1.08 0.00 0.00 175.30 175.37 3i4m s ILE 413 N 0.04 4.95 -0.74 4.99 1.01 0.15 -4.99 121.20 126.61 3i4m s ILE 413 Ca 0.30 0.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 3i4m s ILE 413 Cb -0.17 -4.05 0.06 0.00 0.01 0.00 0.00 42.46 38.30 3i4m s ILE 413 CO 0.15 -0.34 1.15 -0.62 0.00 0.00 0.00 174.94 175.28 3i4m s ASP 414 N 1.82 6.23 0.49 3.58 -1.08 -1.26 -2.43 116.67 124.02 3i4m s ASP 414 Ca 0.21 -0.88 0.28 0.00 -0.52 0.00 0.00 52.55 51.63 3i4m s ASP 414 Cb -0.15 -2.49 1.36 0.00 -1.46 0.00 0.00 42.92 40.18 3i4m s ASP 414 CO 0.15 -1.59 1.85 -0.07 0.52 0.00 0.00 175.17 176.03 3i4m h LEU 415 N 12.10 0.15 -0.06 -1.34 3.38 -1.48 -0.36 115.31 127.72 3i4m h LEU 415 Ca -0.21 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i4m h LEU 415 Cb 1.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i4m h LEU 415 CO 1.24 0.05 0.00 -2.11 0.09 0.00 0.00 178.44 177.70 3i4m n ARG 416 N -4.36 0.94 0.15 1.13 1.85 -1.26 -4.38 116.66 110.73 3i4m n ARG 416 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3i4m n ARG 416 Cb 0.95 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.33 3i4m n ARG 416 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i4m n TYR 417 N -0.47 -2.88 -0.36 2.89 4.01 -0.28 -5.09 117.16 114.98 3i4m n TYR 417 Ca 0.00 0.70 -0.17 0.00 -0.16 0.00 0.00 57.90 58.27 3i4m n TYR 417 Cb 0.01 1.50 -0.03 0.00 -0.31 0.00 0.00 39.34 40.50 3i4m n TYR 417 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i4m n SER 418 N -3.32 0.21 -1.58 7.72 2.88 -0.38 -4.65 113.62 114.50 3i4m n SER 418 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3i4m n SER 418 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 3i4m n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3i4m n LYS 419 N 2.14 0.26 -0.45 -1.46 -0.00 -1.26 0.21 118.16 117.60 3i4m n LYS 419 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 3i4m n LYS 419 Cb -0.01 -1.37 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 3i4m n LYS 419 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i4m n ARG 420 N 1.54 0.00 -0.37 -1.58 0.63 -1.26 -4.93 116.66 110.70 3i4m n ARG 420 Ca 0.00 -0.29 -0.02 0.00 -0.92 0.00 0.00 57.85 56.62 3i4m n ARG 420 Cb 0.13 -0.15 0.10 0.00 0.45 0.00 0.00 32.46 32.99 3i4m n ARG 420 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4m h ALA 421 N 0.00 1.24 0.00 5.13 0.00 -0.56 -0.16 119.26 124.91 3i4m h ALA 421 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i4m h ALA 421 Cb 1.11 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i4m h ALA 421 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3i4m n GLY 422 N -1.37 -1.26 0.00 0.00 0.00 -1.26 -4.56 105.19 96.74 3i4m n GLY 422 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i4m n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4m n ASP 423 N -1.39 0.00 -2.00 1.61 -0.08 -0.08 -5.00 116.55 109.61 3i4m n ASP 423 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3i4m n ASP 423 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 3i4m n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3i4m n ILE 424 N 0.00-11.62 -3.86 5.18 5.41 -1.18 -4.88 119.36 108.42 3i4m n ILE 424 Ca 0.00 2.74 -0.35 0.00 1.00 0.00 0.00 62.75 66.14 3i4m n ILE 424 Cb 0.00 -5.35 -0.13 0.00 -0.71 0.00 0.00 39.64 33.45 3i4m n ILE 424 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3i4m s GLN 425 N -0.93 1.97 0.79 0.38 -1.52 -1.26 -4.99 119.66 114.10 3i4m s GLN 425 Ca 0.00 -1.72 -0.15 0.00 -1.95 0.00 0.00 55.36 51.54 3i4m s GLN 425 Cb 0.00 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.39 3i4m s GLN 425 CO 0.00 -0.95 0.69 1.28 -0.25 0.00 0.00 175.29 176.07 3i4m n LEU 426 N 4.52 1.68 -3.97 2.90 4.77 -1.26 -4.99 117.00 120.64 3i4m n LEU 426 Ca -0.03 0.54 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 3i4m n LEU 426 Cb 0.42 -1.30 -0.16 0.00 -2.33 0.00 0.00 43.42 40.05 3i4m n LEU 426 CO 0.29 -2.80 -0.45 -1.10 -1.33 0.00 0.00 177.39 172.00 3i4m s GLN 427 N -3.29 1.92 -0.35 3.23 -1.52 -1.26 -5.07 119.66 113.31 3i4m s GLN 427 Ca 0.66 -0.77 -0.42 0.00 -1.95 0.00 0.00 55.36 52.89 3i4m s GLN 427 Cb -0.31 -2.32 -0.16 0.00 -0.22 0.00 0.00 33.01 30.00 3i4m s GLN 427 CO 0.58 -0.42 1.79 0.66 -0.25 0.00 0.00 175.29 177.64 3i4m n TYR 428 N 4.73 1.89 0.00 0.91 4.02 -1.26 0.65 117.16 128.09 3i4m n TYR 428 Ca -0.14 0.66 0.00 0.00 -0.01 0.00 0.00 57.90 58.41 3i4m n TYR 428 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.38 3i4m n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i4m n GLY 429 N 4.63 0.92 3.77 2.72 0.00 -0.48 -4.96 105.19 111.79 3i4m n GLY 429 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 3i4m n GLY 429 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i4m n TRP 430 N -0.55 -2.12 -4.25 1.61 7.02 0.21 -4.63 117.44 114.73 3i4m n TRP 430 Ca 0.00 -2.08 -0.19 0.00 -1.02 0.00 0.00 57.50 54.22 3i4m n TRP 430 Cb 0.00 -0.52 -0.13 0.00 -2.42 0.00 0.00 31.31 28.24 3i4m n TRP 430 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3i4m s LYS 431 N -4.51 0.85 -0.48 -0.99 1.02 -0.46 -0.30 119.74 114.87 3i4m s LYS 431 Ca 0.56 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.77 3i4m s LYS 431 Cb -0.04 -0.85 0.22 0.00 -0.52 0.00 0.00 37.83 36.64 3i4m s LYS 431 CO 0.35 0.20 0.53 0.28 -0.92 0.00 0.00 175.35 175.79 3i4m n VAL 432 N 1.60 0.07 -1.24 3.17 0.31 0.27 -0.14 118.33 122.37 3i4m n VAL 432 Ca -0.20 -4.22 -0.59 0.00 -0.01 0.00 0.00 64.34 59.32 3i4m n VAL 432 Cb 0.54 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 3i4m n VAL 432 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4m n GLU 433 N 1.67 0.00 -3.36 5.55 1.02 -0.65 -4.10 120.64 120.77 3i4m n GLU 433 Ca 0.25 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.18 3i4m n GLU 433 Cb 0.47 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3i4m n GLU 433 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i4m n ARG 434 N 7.23 0.88 -2.82 3.49 1.85 -0.83 -2.90 116.66 123.57 3i4m n ARG 434 Ca 0.53 -2.67 -0.36 0.00 -1.00 0.00 0.00 57.85 54.35 3i4m n ARG 434 Cb -0.04 0.32 -0.06 0.00 -1.05 0.00 0.00 32.46 31.63 3i4m n ARG 434 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3i4m s HIS 435 N -2.13 3.62 0.13 2.89 3.76 -0.53 -1.54 115.29 121.49 3i4m s HIS 435 Ca 0.22 1.72 -0.33 0.00 -0.15 0.00 0.00 55.06 56.52 3i4m s HIS 435 Cb -0.02 -2.88 -0.12 0.00 1.11 0.00 0.00 32.58 30.67 3i4m s HIS 435 CO 0.14 0.17 1.75 -0.89 -0.85 0.00 0.00 174.74 175.06 3i4m n ILE 436 N 0.37 0.21 -4.38 0.60 2.08 -1.12 -4.83 119.36 112.29 3i4m n ILE 436 Ca 0.02 -0.04 -0.24 0.00 0.56 0.00 0.00 62.75 63.06 3i4m n ILE 436 Cb 0.51 -1.90 -0.09 0.00 -0.75 0.00 0.00 39.64 37.41 3i4m n ILE 436 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3i4m s MET 437 N 2.04 2.00 -0.47 0.38 -1.94 -1.26 -4.86 119.30 115.20 3i4m s MET 437 Ca 0.81 -1.65 -0.36 0.00 -1.71 0.00 0.00 55.69 52.77 3i4m s MET 437 Cb -0.57 -1.94 -0.14 0.00 2.01 0.00 0.00 34.83 34.19 3i4m s MET 437 CO 0.38 0.28 2.25 -0.25 -0.01 0.00 0.00 175.02 177.67 3i4m n ASP 438 N -0.81 1.58 -0.42 3.03 9.92 -1.26 -2.08 116.55 126.50 3i4m n ASP 438 Ca -0.05 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 3i4m n ASP 438 Cb 0.60 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 3i4m n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3i4m n ASN 439 N 9.71 -1.02 -4.72 -2.24 4.13 0.28 -4.89 115.26 116.50 3i4m n ASN 439 Ca 0.47 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.40 3i4m n ASN 439 Cb 0.16 -0.26 -0.08 0.00 -1.54 0.00 0.00 39.78 38.06 3i4m n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3i4m s ASP 440 N -2.19 5.38 0.41 6.41 1.01 -0.88 -4.75 116.67 122.05 3i4m s ASP 440 Ca 0.00 0.09 -0.23 0.00 0.71 0.00 0.00 52.55 53.12 3i4m s ASP 440 Cb 0.00 -1.49 -0.09 0.00 1.01 0.00 0.00 42.92 42.35 3i4m s ASP 440 CO 0.00 0.30 1.03 -2.16 0.21 0.00 0.00 175.17 174.56 3i4m s PRO 441 N -1.46 4.14 -0.03 8.23 0.04 -1.26 -2.35 135.00 142.30 3i4m s PRO 441 Ca 0.19 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 3i4m s PRO 441 Cb -0.12 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.00 3i4m s PRO 441 CO 0.10 -0.15 0.35 0.08 0.04 0.00 0.00 177.00 177.41 3i4m s VAL 442 N -1.75 0.05 -0.24 -0.36 1.01 -0.90 -4.36 120.40 113.84 3i4m s VAL 442 Ca 0.59 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 3i4m s VAL 442 Cb -0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3i4m s VAL 442 CO 0.25 -0.21 0.48 -0.22 0.00 0.00 0.00 175.10 175.39 3i4m s LEU 443 N -1.15 4.09 -0.05 3.92 1.98 -1.03 -1.08 118.68 125.36 3i4m s LEU 443 Ca -0.12 0.53 0.06 0.00 -2.89 0.00 0.00 54.13 51.71 3i4m s LEU 443 Cb -0.05 -2.62 -0.01 0.00 0.66 0.00 0.00 46.19 44.17 3i4m s LEU 443 CO 0.04 -0.21 -0.24 0.12 -1.89 0.00 0.00 176.35 174.17 3i4m s PHE 444 N 1.95 2.45 0.17 5.38 5.36 -0.39 -0.74 117.98 132.15 3i4m s PHE 444 Ca 0.21 -0.60 -0.09 0.00 -0.96 0.00 0.00 56.93 55.49 3i4m s PHE 444 Cb -0.15 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 40.93 3i4m s PHE 444 CO 0.09 -0.13 0.29 0.54 -1.46 0.00 0.00 175.22 174.55 3i4m s ASN 445 N -0.31 0.03 -0.39 6.13 4.22 -0.39 -2.16 114.94 122.07 3i4m s ASN 445 Ca 0.01 -0.89 0.01 0.00 -2.14 0.00 0.00 52.86 49.86 3i4m s ASN 445 Cb -0.13 0.44 0.14 0.00 1.28 0.00 0.00 41.25 42.99 3i4m s ASN 445 CO 0.02 -0.91 0.24 -0.60 -2.04 0.00 0.00 177.10 173.82 3i4m s ARG 446 N -3.98 0.82 0.77 3.55 3.52 -0.99 -2.50 118.95 120.14 3i4m s ARG 446 Ca 0.18 -1.65 -0.16 0.00 -0.13 0.00 0.00 55.73 53.97 3i4m s ARG 446 Cb 0.03 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.78 3i4m s ARG 446 CO 0.01 -1.23 0.45 1.04 -0.81 0.00 0.00 175.30 174.76 3i4m n GLN 447 N 3.69 0.18 -2.09 5.12 6.02 -1.26 -4.33 117.38 124.71 3i4m n GLN 447 Ca 0.14 0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.81 3i4m n GLN 447 Cb 0.38 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3i4m n GLN 447 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i4m s PRO 448 N -2.85 4.25 -1.26 -1.09 0.04 -1.26 -5.08 135.00 127.74 3i4m s PRO 448 Ca 0.63 2.13 -0.19 0.00 0.04 0.00 0.00 61.00 63.62 3i4m s PRO 448 Cb -0.32 -3.55 0.07 0.00 0.04 0.00 0.00 34.50 30.74 3i4m s PRO 448 CO 0.61 -0.63 1.70 -1.12 0.04 0.00 0.00 177.00 177.59 3i4m s SER 449 N 2.02 6.80 0.00 6.66 0.01 -1.26 -4.64 113.70 123.29 3i4m s SER 449 Ca 0.68 -2.34 0.12 0.00 1.31 0.00 0.00 55.95 55.72 3i4m s SER 449 Cb -0.36 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.23 3i4m s SER 449 CO 0.29 -1.20 0.58 0.00 0.41 0.00 0.00 173.24 173.32 3i4m n LEU 450 N 8.40 0.91 -4.83 2.44 -0.00 -1.26 -4.99 117.00 117.67 3i4m n LEU 450 Ca 0.47 -0.62 -0.22 0.00 -0.00 0.00 0.00 56.01 55.63 3i4m n LEU 450 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 3i4m n LEU 450 CO 0.75 0.19 -0.17 -1.00 -0.00 0.00 0.00 177.39 177.17 3i4m s HIS 451 N -1.82 3.13 0.12 1.47 3.76 -1.26 -4.69 115.29 115.99 3i4m s HIS 451 Ca 0.07 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.76 3i4m s HIS 451 Cb 0.09 -1.42 -0.10 0.00 1.11 0.00 0.00 32.58 32.26 3i4m s HIS 451 CO 0.39 0.52 1.39 -0.22 -0.85 0.00 0.00 174.74 175.97 3i4m h LYS 452 N 1.58 0.84 -1.92 1.40 3.64 -1.96 -3.15 116.57 117.01 3i4m h LYS 452 Ca -0.49 -0.54 -0.47 0.00 -1.27 0.00 0.00 60.65 57.88 3i4m h LYS 452 Cb 1.23 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.95 3i4m h LYS 452 CO 0.61 1.17 0.39 -1.33 -2.27 0.00 0.00 179.45 178.02 3i4m n MET 453 N -4.05 2.31 -0.03 1.90 0.00 -1.26 -3.62 117.12 112.38 3i4m n MET 453 Ca -0.05 -2.23 0.02 0.00 0.00 0.00 0.00 57.70 55.45 3i4m n MET 453 Cb 0.62 -2.07 0.04 0.00 0.00 0.00 0.00 33.22 31.81 3i4m n MET 453 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3i4m n SER 454 N 0.80 1.78 -3.32 7.83 2.88 -1.19 -4.32 113.62 118.08 3i4m n SER 454 Ca 0.46 -1.50 -0.14 0.00 -1.33 0.00 0.00 58.87 56.36 3i4m n SER 454 Cb 0.56 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3i4m n SER 454 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3i4m s MET 455 N -0.63 0.70 0.25 -1.46 -1.94 -1.24 -2.34 119.30 112.64 3i4m s MET 455 Ca 0.07 -0.84 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 3i4m s MET 455 Cb 0.05 -0.60 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 3i4m s MET 455 CO 0.07 -1.21 0.09 -1.64 -0.01 0.00 0.00 175.02 172.32 3i4m s MET 456 N 1.40 2.62 -0.12 2.03 1.00 -0.92 -4.86 119.30 120.45 3i4m s MET 456 Ca 0.18 -1.20 -0.16 0.00 0.00 0.00 0.00 55.69 54.51 3i4m s MET 456 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 34.83 32.28 3i4m s MET 456 CO -0.04 0.40 0.41 0.00 0.00 0.00 0.00 175.02 175.79 3i4m s ALA 457 N -2.15 3.53 0.47 3.03 0.00 0.21 -1.26 121.76 125.59 3i4m s ALA 457 Ca 0.32 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3i4m s ALA 457 Cb -0.08 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 3i4m s ALA 457 CO 0.22 0.07 0.15 -1.01 0.00 0.00 0.00 175.76 175.19 3i4m s HIS 458 N 0.45 2.13 -0.04 0.00 3.76 -0.24 -2.80 115.29 118.55 3i4m s HIS 458 Ca 0.22 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.28 3i4m s HIS 458 Cb -0.14 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.69 3i4m s HIS 458 CO 0.08 0.09 0.23 1.03 -0.85 0.00 0.00 174.74 175.32 3i4m s ARG 459 N -3.95 3.56 0.41 1.40 0.52 0.13 -2.12 118.95 118.90 3i4m s ARG 459 Ca 0.27 -0.05 -0.22 0.00 -0.52 0.00 0.00 55.73 55.21 3i4m s ARG 459 Cb 0.03 -3.14 -0.11 0.00 0.52 0.00 0.00 34.95 32.25 3i4m s ARG 459 CO 0.15 0.71 0.95 0.08 0.02 0.00 0.00 175.30 177.21 3i4m s VAL 460 N -1.17 4.34 -0.45 3.52 1.01 -0.99 -1.30 120.40 125.36 3i4m s VAL 460 Ca 0.22 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.81 3i4m s VAL 460 Cb -0.13 -3.68 0.18 0.00 0.00 0.00 0.00 36.38 32.74 3i4m s VAL 460 CO 0.11 -0.22 0.53 -0.75 0.00 0.00 0.00 175.10 174.78 3i4m s LYS 461 N -2.95 0.91 0.14 2.72 2.47 -1.16 0.99 119.74 122.87 3i4m s LYS 461 Ca 0.60 -1.26 -0.34 0.00 -1.56 0.00 0.00 55.97 53.41 3i4m s LYS 461 Cb -0.11 -0.57 -0.14 0.00 -1.46 0.00 0.00 37.83 35.55 3i4m s LYS 461 CO 0.15 -1.31 1.62 0.28 0.16 0.00 0.00 175.35 176.25 3i4m n VAL 462 N 3.32 0.06 -4.36 4.02 0.31 -1.26 -2.78 118.33 117.64 3i4m n VAL 462 Ca 0.19 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.31 3i4m n VAL 462 Cb 0.51 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 3i4m n VAL 462 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3i4m s ILE 463 N 1.26 0.28 0.55 2.52 -4.36 0.25 -4.85 121.20 116.85 3i4m s ILE 463 Ca 0.80 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.14 3i4m s ILE 463 Cb -0.67 -2.47 0.12 0.00 1.25 0.00 0.00 42.46 40.69 3i4m s ILE 463 CO 0.39 0.00 0.75 -0.81 0.24 0.00 0.00 174.94 175.51 3i4m n PRO 464 N -0.66 -0.31 -1.60 0.37 -0.04 -1.26 -0.40 135.00 131.10 3i4m n PRO 464 Ca 0.01 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 3i4m n PRO 464 Cb 0.64 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i4m n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i4m n TYR 465 N -2.73 -4.40 0.53 0.54 4.02 -1.26 -4.53 117.16 109.32 3i4m n TYR 465 Ca 0.11 2.37 0.00 0.00 -0.01 0.00 0.00 57.90 60.36 3i4m n TYR 465 Cb 0.38 -3.60 0.00 0.00 -0.02 0.00 0.00 39.34 36.10 3i4m n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3i4m n SER 466 N -1.73 1.98 -4.31 7.72 7.64 -1.26 -4.34 113.62 119.31 3i4m n SER 466 Ca 0.00 -1.29 -0.24 0.00 1.01 0.00 0.00 58.87 58.35 3i4m n SER 466 Cb 0.24 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 62.97 3i4m n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i4m s THR 467 N 0.42 1.82 -0.38 0.44 -4.23 -1.26 -4.53 115.64 107.93 3i4m s THR 467 Ca 0.00 -1.66 -0.27 0.00 -1.18 0.00 0.00 61.69 58.58 3i4m s THR 467 Cb 0.00 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.17 3i4m s THR 467 CO 0.00 -0.10 1.00 -0.36 -0.54 0.00 0.00 174.62 174.62 3i4m s PHE 468 N -1.35 3.05 -0.47 3.99 2.99 -1.11 -4.11 117.98 120.98 3i4m s PHE 468 Ca 0.10 0.86 -0.10 0.00 0.00 0.00 0.00 56.93 57.79 3i4m s PHE 468 Cb -0.09 -3.80 0.11 0.00 0.00 0.00 0.00 43.02 39.24 3i4m s PHE 468 CO 0.05 -0.89 0.34 1.03 -0.00 0.00 0.00 175.22 175.75 3i4m s ARG 469 N 3.69 2.54 0.25 0.44 0.52 -0.46 -1.67 118.95 124.27 3i4m s ARG 469 Ca 0.42 -1.70 0.06 0.00 -0.52 0.00 0.00 55.73 53.99 3i4m s ARG 469 Cb -0.11 -3.93 -0.03 0.00 0.52 0.00 0.00 34.95 31.40 3i4m s ARG 469 CO 0.20 -1.16 0.26 -0.48 0.02 0.00 0.00 175.30 174.15 3i4m s LEU 470 N 1.39 3.98 0.84 2.53 2.34 -1.26 0.17 118.68 128.67 3i4m s LEU 470 Ca 0.05 -0.15 -0.11 0.00 0.06 0.00 0.00 54.13 53.98 3i4m s LEU 470 Cb -0.26 -2.53 0.09 0.00 -0.56 0.00 0.00 46.19 42.94 3i4m s LEU 470 CO 0.00 -0.07 1.10 0.21 -1.06 0.00 0.00 176.35 176.53 3i4m s ASN 471 N -3.90 3.90 -0.06 1.48 3.84 -1.26 -2.13 114.94 116.80 3i4m s ASN 471 Ca 0.34 1.81 -0.23 0.00 0.21 0.00 0.00 52.86 54.99 3i4m s ASN 471 Cb -0.08 -2.45 -0.18 0.00 -0.55 0.00 0.00 41.25 37.99 3i4m s ASN 471 CO 0.27 -2.42 0.92 -0.07 -2.79 0.00 0.00 177.10 173.01 3i4m h LEU 472 N -1.40 -0.10 -1.21 3.21 3.38 -1.92 -3.34 115.31 113.94 3i4m h LEU 472 Ca -0.45 -0.49 0.26 0.00 0.09 0.00 0.00 57.88 57.29 3i4m h LEU 472 Cb 1.25 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 3i4m h LEU 472 CO 0.50 0.51 0.64 0.28 0.09 0.00 0.00 178.44 180.46 3i4m h SER 473 N -0.80 0.55 0.00 -0.43 0.02 -1.95 0.65 113.55 111.59 3i4m h SER 473 Ca -0.01 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i4m h SER 473 Cb 0.58 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3i4m h SER 473 CO 0.02 0.10 0.00 0.55 -1.14 0.00 0.00 176.83 176.36 3i4m n VAL 474 N -4.73 0.00 0.15 2.27 3.14 -1.25 -3.74 118.33 114.17 3i4m n VAL 474 Ca 0.26 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.57 3i4m n VAL 474 Cb 0.82 -0.39 -0.03 0.00 -1.06 0.00 0.00 33.84 33.18 3i4m n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i4m h THR 475 N 0.00 0.00 -0.88 1.55 1.03 0.16 -3.35 112.91 111.42 3i4m h THR 475 Ca 0.00 -0.46 0.20 0.00 -0.01 0.00 0.00 66.41 66.14 3i4m h THR 475 Cb 0.38 0.00 -0.12 0.00 -1.07 0.00 0.00 68.15 67.34 3i4m h THR 475 CO 0.00 0.00 0.39 0.28 -0.01 0.00 0.00 175.52 176.18 3i4m h SER 476 N -0.91 0.35 0.06 0.00 0.02 -1.76 -1.89 113.55 109.42 3i4m h SER 476 Ca -0.05 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3i4m h SER 476 Cb 0.34 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i4m h SER 476 CO 0.07 0.04 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.08 3i4m h PRO 477 N 0.43 0.02 -0.00 3.45 0.11 -1.78 -1.95 132.00 132.28 3i4m h PRO 477 Ca 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3i4m h PRO 477 Cb 0.97 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3i4m h PRO 477 CO -0.50 0.09 -0.48 0.66 -0.21 0.00 0.00 178.00 177.57 3i4m n TYR 478 N -4.44 0.00 -2.39 0.65 0.53 -0.74 -4.42 117.16 106.34 3i4m n TYR 478 Ca -0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.73 3i4m n TYR 478 Cb 0.16 -0.24 0.00 0.00 -1.03 0.00 0.00 39.34 38.23 3i4m n TYR 478 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3i4m n ASN 479 N -1.45 -4.06 -4.82 7.72 3.02 -0.73 -4.72 115.26 110.22 3i4m n ASN 479 Ca 0.06 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 3i4m n ASN 479 Cb 0.34 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.29 3i4m n ASN 479 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m s ALA 480 N -2.72 3.62 0.33 5.41 0.00 -1.06 -5.03 121.76 122.31 3i4m s ALA 480 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3i4m s ALA 480 Cb -0.03 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3i4m s ALA 480 CO 0.07 0.43 0.12 0.16 0.00 0.00 0.00 175.76 176.54 3i4m s ASP 481 N -1.19 1.97 0.00 0.00 3.84 -1.26 -4.67 116.67 115.36 3i4m s ASP 481 Ca 0.29 -1.51 0.11 0.00 -0.00 0.00 0.00 52.55 51.44 3i4m s ASP 481 Cb -0.18 0.26 0.00 0.00 -1.38 0.00 0.00 42.92 41.62 3i4m s ASP 481 CO 0.17 -0.80 0.68 0.49 -0.00 0.00 0.00 175.17 175.72 3i4m n PHE 482 N -0.66 0.00 -0.17 2.11 0.99 -1.26 -4.26 117.46 114.20 3i4m n PHE 482 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3i4m n PHE 482 Cb 0.66 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.13 3i4m n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3i4m n ASP 483 N -0.17 1.58 0.00 4.37 5.75 -1.26 -3.97 116.55 122.85 3i4m n ASP 483 Ca 0.05 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 3i4m n ASP 483 Cb 0.24 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3i4m n ASP 483 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i4m n GLY 484 N 1.99 1.43 3.84 6.12 0.00 -1.26 -5.09 105.19 112.22 3i4m n GLY 484 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3i4m n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4m s ASP 485 N -2.00 6.81 0.44 1.61 1.01 -1.25 -4.99 116.67 118.29 3i4m s ASP 485 Ca 0.00 0.98 0.07 0.00 0.71 0.00 0.00 52.55 54.31 3i4m s ASP 485 Cb 0.00 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3i4m s ASP 485 CO 0.00 0.25 0.28 -1.61 0.21 0.00 0.00 175.17 174.30 3i4m s GLU 486 N -1.41 2.33 -0.16 8.23 2.02 -1.26 -1.00 118.70 127.44 3i4m s GLU 486 Ca 0.29 -1.79 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 3i4m s GLU 486 Cb -0.16 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.00 3i4m s GLU 486 CO 0.16 -0.24 0.43 -1.64 0.02 0.00 0.00 175.26 174.00 3i4m s MET 487 N -4.04 0.49 0.34 1.61 -1.94 -0.79 -4.82 119.30 110.15 3i4m s MET 487 Ca 0.41 0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 54.98 3i4m s MET 487 Cb 0.01 0.21 -0.05 0.00 2.01 0.00 0.00 34.83 37.01 3i4m s MET 487 CO 0.23 -0.07 0.61 -0.80 -0.01 0.00 0.00 175.02 174.98 3i4m s ASN 488 N 0.40 6.40 -0.17 3.03 0.01 -1.04 -3.08 114.94 120.48 3i4m s ASN 488 Ca -0.01 0.74 -0.14 0.00 -0.71 0.00 0.00 52.86 52.74 3i4m s ASN 488 Cb -0.04 -2.16 0.05 0.00 0.41 0.00 0.00 41.25 39.52 3i4m s ASN 488 CO -0.01 -0.29 0.44 -1.48 -1.51 0.00 0.00 177.10 174.24 3i4m s LEU 489 N -3.90 0.18 0.30 0.60 0.05 0.10 -1.26 118.68 114.75 3i4m s LEU 489 Ca 0.44 0.90 0.09 0.00 0.05 0.00 0.00 54.13 55.62 3i4m s LEU 489 Cb -0.10 1.48 -0.05 0.00 -2.05 0.00 0.00 46.19 45.47 3i4m s LEU 489 CO 0.33 -0.17 0.02 -1.00 -0.55 0.00 0.00 176.35 174.99 3i4m s HIS 490 N 0.59 2.65 -0.15 3.48 3.76 0.08 0.40 115.29 126.10 3i4m s HIS 490 Ca -0.03 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 3i4m s HIS 490 Cb -0.05 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.32 3i4m s HIS 490 CO -0.04 0.54 -0.21 0.08 -0.85 0.00 0.00 174.74 174.26 3i4m s VAL 491 N -2.39 2.04 1.06 -0.90 1.01 -0.40 -2.46 120.40 118.36 3i4m s VAL 491 Ca 0.33 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3i4m s VAL 491 Cb -0.04 -1.81 0.21 0.00 0.00 0.00 0.00 36.38 34.73 3i4m s VAL 491 CO 0.20 0.55 0.97 -0.81 0.00 0.00 0.00 175.10 176.00 3i4m n PRO 492 N 4.17 -1.51 0.00 2.72 -0.04 -1.26 -4.93 135.00 134.15 3i4m n PRO 492 Ca -0.20 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 3i4m n PRO 492 Cb 0.51 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3i4m n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i4m n GLN 493 N -4.31 2.71 -4.78 0.54 -0.06 -1.26 -4.91 117.38 105.30 3i4m n GLN 493 Ca 0.07 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.78 3i4m n GLN 493 Cb 0.54 -0.73 -0.14 0.00 -4.06 0.00 0.00 30.24 25.84 3i4m n GLN 493 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i4m s SER 494 N -1.09 2.90 0.46 1.69 0.15 -1.26 -4.45 113.70 112.10 3i4m s SER 494 Ca 0.00 -0.57 0.32 0.00 0.70 0.00 0.00 55.95 56.40 3i4m s SER 494 Cb 0.00 -0.25 1.44 0.00 -1.71 0.00 0.00 66.02 65.50 3i4m s SER 494 CO 0.00 0.22 1.66 -0.08 1.20 0.00 0.00 173.24 176.23 3i4m h GLU 495 N 4.78 0.10 0.01 5.44 4.57 -1.98 0.61 114.58 128.12 3i4m h GLU 495 Ca -0.45 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.46 3i4m h GLU 495 Cb 1.15 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 3i4m h GLU 495 CO 0.43 0.07 -1.44 1.05 -1.18 0.00 0.00 179.01 177.94 3i4m h GLU 496 N 0.10 0.03 0.66 1.92 4.11 -1.98 -3.03 114.58 116.38 3i4m h GLU 496 Ca 0.78 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 60.13 3i4m h GLU 496 Cb 2.57 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.84 3i4m h GLU 496 CO -0.30 0.75 -0.32 1.15 0.07 0.00 0.00 179.01 180.36 3i4m h THR 497 N 0.01 0.27 -0.62 -1.06 2.02 -0.23 -0.91 112.91 112.39 3i4m h THR 497 Ca -0.18 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 66.91 3i4m h THR 497 Cb 1.93 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 68.57 3i4m h THR 497 CO 0.11 0.02 0.12 0.08 0.37 0.00 0.00 175.52 176.22 3i4m h ARG 498 N -1.04 0.23 -0.93 6.66 0.11 -1.35 0.72 114.38 118.79 3i4m h ARG 498 Ca -0.09 -0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.22 3i4m h ARG 498 Cb 0.71 -0.05 -0.13 0.00 1.11 0.00 0.00 29.97 31.61 3i4m h ARG 498 CO 0.15 0.15 0.42 0.00 0.10 0.00 0.00 179.97 180.80 3i4m h ALA 499 N 1.51 1.55 -0.16 0.08 0.00 -1.36 0.36 119.26 121.24 3i4m h ALA 499 Ca 0.33 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 3i4m h ALA 499 Cb 0.51 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3i4m h ALA 499 CO -0.44 -0.40 -0.28 1.49 0.00 0.00 0.00 179.25 179.63 3i4m h GLU 500 N 0.38 0.30 0.01 0.00 4.81 0.19 0.18 114.58 120.43 3i4m h GLU 500 Ca 0.60 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 3i4m h GLU 500 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3i4m h GLU 500 CO -0.56 0.56 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.12 3i4m h LEU 501 N 0.27 0.07 -0.90 1.64 3.38 0.20 -2.83 115.31 117.13 3i4m h LEU 501 Ca 0.04 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 3i4m h LEU 501 Cb 0.63 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3i4m h LEU 501 CO 0.05 0.90 0.54 0.77 0.09 0.00 0.00 178.44 180.79 3i4m h SER 502 N -0.76 1.09 0.70 -0.43 4.64 -0.63 0.95 113.55 119.11 3i4m h SER 502 Ca -0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3i4m h SER 502 Cb 0.92 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3i4m h SER 502 CO 0.02 0.84 -0.55 0.00 -0.87 0.00 0.00 176.83 176.27 3i4m n GLN 503 N -4.38 0.14 0.00 4.77 1.13 0.61 -4.28 117.38 115.36 3i4m n GLN 503 Ca 0.10 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3i4m n GLN 503 Cb 0.06 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.82 3i4m n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i4m n LEU 504 N -1.80 0.00 -1.10 1.08 4.32 -1.07 -4.87 117.00 113.56 3i4m n LEU 504 Ca 0.04 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.15 3i4m n LEU 504 Cb 0.39 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.37 3i4m n LEU 504 CO 0.35 0.00 0.68 0.00 -1.22 0.00 0.00 177.39 177.20 3i4m s ALA 506 N -1.60 3.26 0.21 0.00 0.00 -0.75 0.64 121.76 123.52 3i4m s ALA 506 Ca 0.36 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 3i4m s ALA 506 Cb 0.22 -3.57 0.25 0.00 0.00 0.00 0.00 23.12 20.02 3i4m s ALA 506 CO 0.31 -1.10 1.82 0.28 0.00 0.00 0.00 175.76 177.07 3i4m h VAL 507 N 2.38 1.00 -0.98 0.00 2.07 -1.88 -0.05 116.25 118.78 3i4m h VAL 507 Ca -0.51 -0.26 0.27 0.00 0.82 0.00 0.00 66.70 67.03 3i4m h VAL 507 Cb 1.26 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3i4m h VAL 507 CO 0.62 0.14 0.69 -0.65 0.02 0.00 0.00 177.57 178.38 3i4m h PRO 508 N 0.76 0.13 0.06 1.57 0.11 -1.89 -2.05 132.00 130.68 3i4m h PRO 508 Ca 0.31 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3i4m h PRO 508 Cb 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3i4m h PRO 508 CO -0.17 0.08 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.60 3i4m h LEU 509 N 0.13 -0.07 0.00 2.35 3.38 -1.33 -3.25 115.31 116.51 3i4m h LEU 509 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3i4m h LEU 509 Cb 1.71 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3i4m h LEU 509 CO -0.08 0.04 0.29 0.00 0.09 0.00 0.00 178.44 178.77 3i4m n GLN 510 N -2.71 0.00 -0.33 1.13 1.13 -0.90 -3.25 117.38 112.45 3i4m n GLN 510 Ca -0.01 0.20 0.26 0.00 -1.94 0.00 0.00 57.00 55.51 3i4m n GLN 510 Cb 0.03 -1.79 0.49 0.00 0.11 0.00 0.00 30.24 29.08 3i4m n GLN 510 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 3i4m h ILE 511 N 0.00 0.09 -3.78 5.09 2.10 -1.42 -3.32 117.51 116.27 3i4m h ILE 511 Ca 0.00 -0.03 -0.67 0.00 1.08 0.00 0.00 64.86 65.24 3i4m h ILE 511 Cb 0.57 -0.00 -0.36 0.00 -1.09 0.00 0.00 36.82 35.94 3i4m h ILE 511 CO 0.00 0.02 -0.74 -0.69 -1.08 0.00 0.00 178.15 175.66 3i4m s VAL 512 N -5.67 2.50 0.05 2.19 1.01 -1.20 -2.07 120.40 117.21 3i4m s VAL 512 Ca -0.10 -1.73 -0.21 0.00 0.00 0.00 0.00 61.98 59.93 3i4m s VAL 512 Cb 0.32 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 3i4m s VAL 512 CO 0.78 -0.21 0.64 -0.55 0.00 0.00 0.00 175.10 175.76 3i4m s SER 513 N 1.16 7.10 0.15 3.32 0.15 -0.27 -4.83 113.70 120.48 3i4m s SER 513 Ca -0.03 1.31 0.24 0.00 0.70 0.00 0.00 55.95 58.17 3i4m s SER 513 Cb -0.20 -2.40 0.92 0.00 -1.71 0.00 0.00 66.02 62.63 3i4m s SER 513 CO -0.04 0.17 1.75 -0.81 1.20 0.00 0.00 173.24 175.50 3i4m n PRO 514 N 2.22 0.15 0.00 5.44 -0.04 -1.26 -1.35 135.00 140.16 3i4m n PRO 514 Ca -0.07 0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 3i4m n PRO 514 Cb 0.50 -1.72 0.21 0.00 -0.04 0.00 0.00 33.50 32.46 3i4m n PRO 514 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m n GLN 515 N -1.99 0.79 -0.73 0.54 10.64 -1.26 -3.67 117.38 121.70 3i4m n GLN 515 Ca 0.05 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.20 3i4m n GLN 515 Cb 0.32 -1.14 -0.01 0.00 -0.86 0.00 0.00 30.24 28.55 3i4m n GLN 515 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3i4m n SER 516 N -0.64 -0.26 -2.88 2.61 3.41 -1.15 -3.81 113.62 110.90 3i4m n SER 516 Ca 0.05 -0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 58.07 3i4m n SER 516 Cb 0.02 0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3i4m n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i4m n ASN 517 N -0.04 -0.02 -3.50 4.04 0.23 -0.46 -4.80 115.26 110.72 3i4m n ASN 517 Ca -0.07 -0.08 -0.11 0.00 -0.53 0.00 0.00 54.58 53.79 3i4m n ASN 517 Cb 0.38 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 3i4m n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3i4m s LYS 518 N -3.72 1.20 0.47 -3.83 -2.85 -0.82 -4.74 119.74 105.45 3i4m s LYS 518 Ca 0.01 -0.55 -0.23 0.00 -1.00 0.00 0.00 55.97 54.20 3i4m s LYS 518 Cb -0.00 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.24 3i4m s LYS 518 CO 0.06 -0.50 1.18 -1.25 0.10 0.00 0.00 175.35 174.94 3i4m s PRO 519 N -3.73 3.70 -0.01 1.78 0.04 -1.26 -1.11 135.00 134.40 3i4m s PRO 519 Ca 0.01 1.82 0.19 0.00 0.04 0.00 0.00 61.00 63.07 3i4m s PRO 519 Cb 0.00 -2.39 -0.26 0.00 0.04 0.00 0.00 34.50 31.89 3i4m s PRO 519 CO -0.12 -0.61 0.60 0.00 0.04 0.00 0.00 177.00 176.91 3i4m n MET 521 N -1.85 1.53 0.00 0.00 2.81 -1.26 -4.45 117.12 113.90 3i4m n MET 521 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i4m n MET 521 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 3i4m n MET 521 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4m n GLY 522 N 5.00 4.43 3.70 3.03 0.00 -1.26 -4.07 105.19 116.01 3i4m n GLY 522 Ca 0.00 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3i4m n GLY 522 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4m n ILE 523 N -1.94 0.98 -4.24 -0.61 5.41 -1.24 -4.69 119.36 113.03 3i4m n ILE 523 Ca 0.00 -0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.37 3i4m n ILE 523 Cb 0.00 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.16 3i4m n ILE 523 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i4m s VAL 524 N -0.04 0.40 0.00 1.39 1.01 -1.26 -4.63 120.40 117.27 3i4m s VAL 524 Ca 0.66 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3i4m s VAL 524 Cb -0.59 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3i4m s VAL 524 CO 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.36 3i4m n GLN 525 N -0.29 0.00 -0.16 2.72 6.02 -1.26 -2.47 117.38 121.94 3i4m n GLN 525 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 3i4m n GLN 525 Cb 0.65 0.00 0.12 0.00 1.02 0.00 0.00 30.24 32.02 3i4m n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i4m n ASP 526 N -0.79 -0.07 -0.06 1.08 9.92 -1.26 0.27 116.55 125.63 3i4m n ASP 526 Ca 0.00 0.76 -0.13 0.00 -0.53 0.00 0.00 54.79 54.88 3i4m n ASP 526 Cb 0.00 -0.27 -0.06 0.00 -0.64 0.00 0.00 41.12 40.15 3i4m n ASP 526 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3i4m h THR 527 N 0.00 1.34 -0.08 -3.53 2.02 -1.87 -0.80 112.91 109.99 3i4m h THR 527 Ca 0.26 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 3i4m h THR 527 Cb 0.51 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3i4m h THR 527 CO -0.43 0.43 -0.09 0.25 0.37 0.00 0.00 175.52 176.05 3i4m h LEU 528 N 0.14 0.21 -1.71 2.58 5.85 0.39 1.27 115.31 124.04 3i4m h LEU 528 Ca 0.03 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3i4m h LEU 528 Cb 0.78 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3i4m h LEU 528 CO 0.05 0.67 0.10 0.00 -0.34 0.00 0.00 178.44 178.92 3i4m h GLY 530 N 0.38 0.24 -0.30 0.00 0.00 -0.95 -3.32 103.07 99.12 3i4m h GLY 530 Ca 0.08 -0.62 0.24 0.00 0.00 0.00 0.00 47.33 47.03 3i4m h GLY 530 CO -0.01 0.54 0.41 1.19 0.00 0.00 0.00 176.54 178.67 3i4m h ILE 531 N -0.47 0.42 0.22 2.60 6.09 0.18 0.23 117.51 126.78 3i4m h ILE 531 Ca -0.21 -0.13 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 3i4m h ILE 531 Cb 1.59 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 3i4m h ILE 531 CO 0.06 0.07 -0.21 -0.09 -3.07 0.00 0.00 178.15 174.91 3i4m h ARG 532 N 0.37 -0.41 -0.50 2.19 2.43 -1.45 -2.15 114.38 114.86 3i4m h ARG 532 Ca 0.59 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.89 3i4m h ARG 532 Cb 1.19 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 3i4m h ARG 532 CO -0.56 -0.27 -0.22 0.87 -1.51 0.00 0.00 179.97 178.27 3i4m h LYS 533 N -0.42 -0.11 -0.81 0.20 1.57 -1.35 -0.34 116.57 115.31 3i4m h LYS 533 Ca -0.03 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.94 3i4m h LYS 533 Cb 0.36 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.55 3i4m h LYS 533 CO -0.01 -0.07 -0.08 1.25 -0.57 0.00 0.00 179.45 179.96 3i4m h LEU 534 N -0.11 -0.54 0.00 2.94 5.85 -0.84 -3.30 115.31 119.31 3i4m h LEU 534 Ca 0.23 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3i4m h LEU 534 Cb 0.48 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3i4m h LEU 534 CO -0.57 -0.24 0.00 0.41 -0.34 0.00 0.00 178.44 177.70 3i4m n THR 535 N -5.44 0.00 0.00 1.05 -1.04 -0.14 -3.03 114.28 105.67 3i4m n THR 535 Ca 0.14 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 3i4m n THR 535 Cb 0.48 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 3i4m n THR 535 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i4m n LEU 536 N 0.00 0.00 -0.30 -4.42 4.77 -1.20 -3.77 117.00 112.08 3i4m n LEU 536 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3i4m n LEU 536 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i4m n LEU 536 CO 0.00 0.00 0.49 0.54 -1.33 0.00 0.00 177.39 177.09 3i4m n ARG 537 N 0.27 -0.16 0.00 3.23 1.74 -1.26 0.61 116.66 121.08 3i4m n ARG 537 Ca 0.00 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 3i4m n ARG 537 Cb 0.00 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 3i4m n ARG 537 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i4m n ASP 538 N -5.22 0.00 -4.16 0.55 2.03 -1.26 -4.56 116.55 103.93 3i4m n ASP 538 Ca 0.09 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.07 3i4m n ASP 538 Cb 0.34 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.59 3i4m n ASP 538 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3i4m s THR 539 N -1.82 2.47 0.19 5.18 2.01 0.20 -5.11 115.64 118.76 3i4m s THR 539 Ca 0.00 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 61.11 3i4m s THR 539 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 3i4m s THR 539 CO 0.00 0.37 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.75 3i4m s PHE 540 N 1.30 1.92 -0.05 4.92 0.40 -1.26 -2.91 117.98 122.31 3i4m s PHE 540 Ca 0.02 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3i4m s PHE 540 Cb -0.15 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.49 3i4m s PHE 540 CO -0.08 0.41 0.02 0.42 0.70 0.00 0.00 175.22 176.69 3i4m s ILE 541 N -2.27 0.18 0.67 0.64 1.01 0.39 -4.94 121.20 116.87 3i4m s ILE 541 Ca 0.20 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 3i4m s ILE 541 Cb -0.05 -0.34 0.16 0.00 0.01 0.00 0.00 42.46 42.25 3i4m s ILE 541 CO 0.08 0.20 0.69 -1.84 0.00 0.00 0.00 174.94 174.07 3i4m n GLU 542 N 4.80 -1.73 0.00 2.79 0.00 -1.26 -0.75 120.64 124.48 3i4m n GLU 542 Ca -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 57.16 55.94 3i4m n GLU 542 Cb 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 31.44 31.04 3i4m n GLU 542 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3i4m n LEU 543 N 0.00 0.00 0.00 -1.84 7.94 -1.26 -2.78 117.00 119.06 3i4m n LEU 543 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3i4m n LEU 543 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 3i4m n LEU 543 CO 0.24 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.62 3i4m n ASP 544 N 0.00 0.00 0.42 1.96 5.75 -1.26 0.24 116.55 123.66 3i4m n ASP 544 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 3i4m n ASP 544 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3i4m n ASP 544 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3i4m h GLN 545 N 0.00 -1.10 -0.86 0.11 4.15 -1.97 -2.37 115.11 113.08 3i4m h GLN 545 Ca 0.00 0.07 0.22 0.00 0.77 0.00 0.00 58.65 59.72 3i4m h GLN 545 Cb 0.00 0.25 -0.14 0.00 0.21 0.00 0.00 27.48 27.80 3i4m h GLN 545 CO 0.00 -0.73 0.16 0.28 -1.93 0.00 0.00 178.83 176.61 3i4m h VAL 546 N -1.14 0.29 -1.01 2.39 2.07 0.34 0.89 116.25 120.08 3i4m h VAL 546 Ca -0.10 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3i4m h VAL 546 Cb 0.91 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3i4m h VAL 546 CO 0.11 0.03 0.65 -0.07 0.02 0.00 0.00 177.57 178.31 3i4m h LEU 547 N 0.16 1.01 0.17 2.57 3.38 -1.11 0.64 115.31 122.14 3i4m h LEU 547 Ca 0.52 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 3i4m h LEU 547 Cb 1.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i4m h LEU 547 CO -0.68 0.61 -0.08 0.78 0.09 0.00 0.00 178.44 179.15 3i4m h ASN 548 N 1.12 -0.20 -0.35 -0.43 2.35 0.11 -2.16 115.58 116.02 3i4m h ASN 548 Ca 0.46 -0.28 0.08 0.00 -0.55 0.00 0.00 56.30 56.00 3i4m h ASN 548 Cb 0.28 0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 3i4m h ASN 548 CO -0.21 0.21 -0.28 0.24 -1.65 0.00 0.00 177.43 175.75 3i4m h MET 549 N -0.64 -0.22 -0.40 0.81 2.86 0.15 -0.27 114.93 117.21 3i4m h MET 549 Ca -0.02 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3i4m h MET 549 Cb 0.47 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.09 3i4m h MET 549 CO 0.04 -0.15 -0.39 -0.07 1.06 0.00 0.00 176.91 177.40 3i4m h LEU 550 N -0.23 -1.30 -0.89 1.22 3.38 0.31 -1.09 115.31 116.70 3i4m h LEU 550 Ca 0.17 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.53 3i4m h LEU 550 Cb 0.50 0.58 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 3i4m h LEU 550 CO -0.48 -0.35 0.45 0.22 0.09 0.00 0.00 178.44 178.37 3i4m h TYR 551 N -0.30 0.78 -0.17 1.13 3.20 -0.42 -1.81 116.97 119.37 3i4m h TYR 551 Ca 0.15 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.11 3i4m h TYR 551 Cb 0.57 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3i4m h TYR 551 CO -0.59 0.11 0.17 -1.49 -1.64 0.00 0.00 178.16 174.72 3i4m h TRP 552 N 0.57 0.00 -2.96 -3.82 4.06 0.18 -3.38 115.95 110.60 3i4m h TRP 552 Ca 0.52 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.92 3i4m h TRP 552 Cb 0.84 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.93 3i4m h TRP 552 CO -0.09 0.00 1.07 0.08 -3.56 0.00 0.00 178.44 175.94 3i4m s VAL 553 N -4.73 3.85 0.21 1.49 1.01 -0.68 -4.88 120.40 116.66 3i4m s VAL 553 Ca -0.05 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 3i4m s VAL 553 Cb 0.16 -4.46 0.32 0.00 0.00 0.00 0.00 36.38 32.40 3i4m s VAL 553 CO 0.58 -1.14 1.23 -0.81 0.00 0.00 0.00 175.10 174.97 3i4m n PRO 554 N 8.53 -0.10 0.17 2.72 -0.04 -1.26 -2.79 135.00 142.23 3i4m n PRO 554 Ca 0.12 1.23 -0.08 0.00 -0.04 0.00 0.00 63.50 64.74 3i4m n PRO 554 Cb 0.49 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3i4m n PRO 554 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i4m h ASP 555 N 0.00 -0.41 0.00 3.54 3.32 -1.91 -3.49 116.42 117.46 3i4m h ASP 555 Ca 0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3i4m h ASP 555 Cb 0.55 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3i4m h ASP 555 CO -0.81 -0.06 0.00 1.87 -1.72 0.00 0.00 179.24 178.53 3i4m n TRP 556 N -4.65 0.00 0.00 4.55 -0.00 -1.12 -4.53 117.44 111.69 3i4m n TRP 556 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 3i4m n TRP 556 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.50 3i4m n TRP 556 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3i4m n ASP 557 N 0.52 0.00 -1.91 5.87 5.75 -1.26 -4.70 116.55 120.82 3i4m n ASP 557 Ca 0.00 0.02 -0.17 0.00 -0.01 0.00 0.00 54.79 54.62 3i4m n ASP 557 Cb 0.00 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 3i4m n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i4m n GLY 558 N -0.88 -0.14 2.63 6.12 0.00 -1.26 -4.96 105.19 106.70 3i4m n GLY 558 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3i4m n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 559 N -2.84 0.89 0.09 1.61 1.01 -1.26 -5.11 120.40 114.79 3i4m s VAL 559 Ca 0.00 -2.09 -0.25 0.00 0.00 0.00 0.00 61.98 59.64 3i4m s VAL 559 Cb 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 36.38 34.61 3i4m s VAL 559 CO 0.00 -0.89 0.56 2.30 0.00 0.00 0.00 175.10 177.06 3i4m n ILE 560 N 3.91 0.88 -3.21 2.22 -5.35 -1.26 -4.94 119.36 111.61 3i4m n ILE 560 Ca 0.08 -0.22 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3i4m n ILE 560 Cb 0.36 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.21 3i4m n ILE 560 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3i4m s PRO 561 N -0.44 3.84 0.17 6.28 0.04 -1.26 -5.03 135.00 138.60 3i4m s PRO 561 Ca 0.56 0.41 -0.32 0.00 0.04 0.00 0.00 61.00 61.70 3i4m s PRO 561 Cb -0.80 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 3i4m s PRO 561 CO 0.42 0.19 1.60 0.99 0.04 0.00 0.00 177.00 180.24 3i4m s THR 562 N -2.01 2.52 0.30 1.26 2.01 -1.26 -4.94 115.64 113.53 3i4m s THR 562 Ca 0.50 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 3i4m s THR 562 Cb -0.11 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 3i4m s THR 562 CO 0.23 0.03 1.40 -2.84 -0.69 0.00 0.00 174.62 172.75 3i4m s PRO 563 N 1.19 4.27 0.00 4.92 0.02 -1.26 -4.85 135.00 139.28 3i4m s PRO 563 Ca 0.71 2.33 0.29 0.00 0.02 0.00 0.00 61.00 64.34 3i4m s PRO 563 Cb -0.45 -3.07 1.45 0.00 0.02 0.00 0.00 34.50 32.45 3i4m s PRO 563 CO 0.31 -0.36 1.99 0.00 -0.33 0.00 0.00 177.00 178.62 3i4m n ALA 564 N 1.46 2.42 -3.62 -1.55 0.00 -1.12 -4.20 120.51 113.89 3i4m n ALA 564 Ca 0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 3i4m n ALA 564 Cb 0.41 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 3i4m n ALA 564 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4m s ILE 565 N -2.57 0.89 -0.26 0.00 1.01 -1.21 -4.87 121.20 114.19 3i4m s ILE 565 Ca 0.27 -2.13 0.23 0.00 0.00 0.00 0.00 60.65 59.02 3i4m s ILE 565 Cb 0.19 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3i4m s ILE 565 CO 0.44 -0.91 1.00 -0.38 0.00 0.00 0.00 174.94 175.09 3i4m n ILE 566 N 3.86 0.50 0.00 2.92 5.41 -1.26 -0.50 119.36 130.30 3i4m n ILE 566 Ca 0.09 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.33 3i4m n ILE 566 Cb 0.36 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 3i4m n ILE 566 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i4m n LYS 567 N -2.55 0.00 -0.04 0.38 4.81 -1.26 -4.27 118.16 115.24 3i4m n LYS 567 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3i4m n LYS 567 Cb 0.54 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.58 3i4m n LYS 567 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3i4m h PRO 568 N 0.00 0.00 -5.36 1.64 0.11 -2.03 -3.46 132.00 122.91 3i4m h PRO 568 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 3i4m h PRO 568 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 3i4m h PRO 568 CO 0.00 0.00 -0.59 0.21 -0.21 0.00 0.00 178.00 177.41 3i4m s LYS 569 N -1.53 3.80 -0.03 1.05 2.20 -1.26 -5.06 119.74 118.92 3i4m s LYS 569 Ca -0.04 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 3i4m s LYS 569 Cb 0.01 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.16 3i4m s LYS 569 CO 0.06 0.32 1.67 -1.25 -0.36 0.00 0.00 175.35 175.79 3i4m s PRO 570 N 0.21 4.19 0.28 4.03 0.04 -1.23 -4.56 135.00 137.96 3i4m s PRO 570 Ca 0.02 2.23 0.09 0.00 0.04 0.00 0.00 61.00 63.39 3i4m s PRO 570 Cb -0.13 -3.93 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 3i4m s PRO 570 CO 0.01 -0.83 -0.12 -0.51 0.04 0.00 0.00 177.00 175.60 3i4m s LEU 571 N 3.80 2.58 0.08 -3.56 1.02 0.35 -4.09 118.68 118.86 3i4m s LEU 571 Ca 0.74 -1.12 0.04 0.00 0.02 0.00 0.00 54.13 53.81 3i4m s LEU 571 Cb -0.35 -0.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.99 3i4m s LEU 571 CO 0.31 -0.19 -0.11 0.26 0.02 0.00 0.00 176.35 176.64 3i4m s TRP 572 N -2.79 1.04 0.11 0.29 0.51 0.07 -2.81 118.94 115.36 3i4m s TRP 572 Ca 0.29 -0.59 0.07 0.00 -2.12 0.00 0.00 56.10 53.75 3i4m s TRP 572 Cb 0.01 -0.58 -0.04 0.00 -0.81 0.00 0.00 33.47 32.05 3i4m s TRP 572 CO 0.13 0.00 -0.06 -1.54 -0.51 0.00 0.00 176.95 174.97 3i4m s SER 573 N -2.16 4.61 0.00 2.95 1.04 -1.26 0.15 113.70 119.02 3i4m s SER 573 Ca 0.02 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3i4m s SER 573 Cb -0.05 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.11 3i4m s SER 573 CO 0.01 0.16 0.82 0.61 0.98 0.00 0.00 173.24 175.82 3i4m n GLY 574 N 0.54 -3.24 0.22 7.32 0.00 -1.15 0.13 105.19 109.02 3i4m n GLY 574 Ca -0.12 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.49 3i4m n GLY 574 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i4m n LYS 575 N -2.20 -0.10 0.00 1.61 5.02 -1.25 -0.50 118.16 120.74 3i4m n LYS 575 Ca 0.00 0.92 -0.11 0.00 -2.02 0.00 0.00 58.31 57.10 3i4m n LYS 575 Cb 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 3i4m n LYS 575 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3i4m h GLN 576 N 0.00 -0.41 0.01 1.97 4.15 -0.60 -2.45 115.11 117.78 3i4m h GLN 576 Ca 0.24 0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.46 3i4m h GLN 576 Cb 0.39 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3i4m h GLN 576 CO -0.60 -0.28 -0.95 -0.84 -1.93 0.00 0.00 178.83 174.24 3i4m h ILE 577 N -0.43 1.43 -0.19 2.39 3.07 -0.28 -3.02 117.51 120.47 3i4m h ILE 577 Ca 0.02 -2.53 0.05 0.00 1.55 0.00 0.00 64.86 63.96 3i4m h ILE 577 Cb 0.49 2.47 -0.01 0.00 -0.27 0.00 0.00 36.82 39.50 3i4m h ILE 577 CO -0.30 0.75 0.59 0.25 -1.05 0.00 0.00 178.15 178.39 3i4m h LEU 578 N 0.19 0.00 -0.03 0.16 5.85 -0.60 1.11 115.31 121.99 3i4m h LEU 578 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i4m h LEU 578 Cb 1.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3i4m h LEU 578 CO 0.16 0.00 -0.06 -1.20 -0.34 0.00 0.00 178.44 177.00 3i4m n SER 579 N -3.01 0.10 0.16 1.25 7.64 -0.94 -3.02 113.62 115.80 3i4m n SER 579 Ca 0.03 0.11 0.13 0.00 1.01 0.00 0.00 58.87 60.15 3i4m n SER 579 Cb 0.68 -0.32 0.54 0.00 -1.01 0.00 0.00 64.21 64.10 3i4m n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i4m h VAL 580 N 0.06 0.00 0.07 0.44 2.07 0.11 -1.76 116.25 117.25 3i4m h VAL 580 Ca 0.00 -0.25 -0.32 0.00 0.82 0.00 0.00 66.70 66.94 3i4m h VAL 580 Cb 0.42 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3i4m h VAL 580 CO 0.00 0.00 -1.80 0.00 0.02 0.00 0.00 177.57 175.79 3i4m h ALA 581 N 2.20 0.55 -2.10 1.67 0.00 -1.69 -3.45 119.26 116.43 3i4m h ALA 581 Ca 0.00 -1.38 -0.56 0.00 0.00 0.00 0.00 54.91 52.97 3i4m h ALA 581 Cb 0.35 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3i4m h ALA 581 CO 0.00 1.40 1.09 0.42 0.00 0.00 0.00 179.25 182.16 3i4m s ILE 582 N -2.59 3.74 0.00 0.00 1.01 -0.66 -4.92 121.20 117.78 3i4m s ILE 582 Ca -0.13 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3i4m s ILE 582 Cb 0.07 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3i4m s ILE 582 CO 0.81 -0.22 0.00 -0.81 0.00 0.00 0.00 174.94 174.72 3i4m n PRO 583 N 7.41 3.25 -4.48 2.79 -0.04 -1.26 -4.67 135.00 138.00 3i4m n PRO 583 Ca 0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 3i4m n PRO 583 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 3i4m n PRO 583 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i4m s ASN 584 N -2.40 2.57 0.00 3.54 0.01 -1.26 -3.62 114.94 113.78 3i4m s ASN 584 Ca 0.00 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.69 3i4m s ASN 584 Cb 0.00 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.75 3i4m s ASN 584 CO 0.00 -0.70 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 3i4m n GLY 585 N -0.77 0.00 3.63 0.66 0.00 -1.25 -4.72 105.19 102.73 3i4m n GLY 585 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3i4m n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4m s ILE 586 N -0.96 3.85 -0.10 -0.61 -1.09 -1.26 -4.78 121.20 116.25 3i4m s ILE 586 Ca 0.00 0.96 0.04 0.00 -2.23 0.00 0.00 60.65 59.41 3i4m s ILE 586 Cb 0.00 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 3i4m s ILE 586 CO 0.00 -0.38 -0.22 -1.00 -1.23 0.00 0.00 174.94 172.11 3i4m s HIS 587 N 4.97 2.40 0.01 3.97 3.76 -1.26 -2.69 115.29 126.45 3i4m s HIS 587 Ca 0.66 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 3i4m s HIS 587 Cb -0.21 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3i4m s HIS 587 CO 0.27 -0.42 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.49 3i4m s LEU 588 N 0.46 2.07 -0.03 0.89 2.96 0.19 -4.94 118.68 120.28 3i4m s LEU 588 Ca -0.17 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3i4m s LEU 588 Cb -0.17 -0.39 0.02 0.00 0.50 0.00 0.00 46.19 46.15 3i4m s LEU 588 CO 0.07 0.05 0.05 -1.10 -1.32 0.00 0.00 176.35 174.10 3i4m s GLN 589 N -0.48 0.01 0.00 1.98 -0.21 -1.24 -1.62 119.66 118.11 3i4m s GLN 589 Ca 0.01 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.57 3i4m s GLN 589 Cb -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.82 3i4m s GLN 589 CO -0.00 -0.12 0.00 -2.13 -2.12 0.00 0.00 175.29 170.92 3i4m n ARG 590 N 3.82 0.00 -0.67 2.91 0.63 0.31 -4.89 116.66 118.77 3i4m n ARG 590 Ca -0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 3i4m n ARG 590 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3i4m n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i4m n PHE 591 N 0.00 0.00 -0.02 -0.14 3.01 -1.26 -4.88 117.46 114.17 3i4m n PHE 591 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i4m n PHE 591 Cb 0.00 -0.67 -0.00 0.00 -0.01 0.00 0.00 39.48 38.80 3i4m n PHE 591 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3i4m h ASP 592 N 0.00 -0.01 0.00 4.37 3.32 -1.91 -3.46 116.42 118.73 3i4m h ASP 592 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i4m h ASP 592 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i4m h ASP 592 CO 0.00 0.24 0.00 -0.62 -1.72 0.00 0.00 179.24 177.14 3i4m n GLU 593 N -3.43 0.00 0.00 3.56 1.02 -1.26 -4.85 120.64 115.68 3i4m n GLU 593 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i4m n GLU 593 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3i4m n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 594 N 0.41 1.41 3.77 0.62 0.00 -1.26 -4.83 105.19 105.31 3i4m n GLY 594 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i4m n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4m s THR 595 N -0.37 2.79 -0.40 2.61 2.01 -1.26 -4.32 115.64 116.71 3i4m s THR 595 Ca 0.00 0.79 0.10 0.00 0.31 0.00 0.00 61.69 62.89 3i4m s THR 595 Cb 0.00 -3.50 0.39 0.00 0.01 0.00 0.00 72.50 69.40 3i4m s THR 595 CO 0.00 0.19 1.33 0.35 -0.69 0.00 0.00 174.62 175.79 3i4m n THR 596 N 0.80 0.07 0.00 -0.82 -2.24 -1.26 -4.88 114.28 105.94 3i4m n THR 596 Ca 0.00 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 3i4m n THR 596 Cb 0.42 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3i4m n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i4m n LEU 597 N -0.55 0.00 -1.37 3.22 4.32 -1.26 -3.67 117.00 117.69 3i4m n LEU 597 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.01 3i4m n LEU 597 Cb 0.85 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.69 3i4m n LEU 597 CO -0.05 0.00 0.10 -0.11 -1.22 0.00 0.00 177.39 176.11 3i4m n LEU 598 N 0.00 1.22 -1.24 2.23 0.00 -1.26 -5.09 117.00 112.85 3i4m n LEU 598 Ca 0.00 -2.24 -0.17 0.00 0.00 0.00 0.00 56.01 53.60 3i4m n LEU 598 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 43.42 43.33 3i4m n LEU 598 CO 0.00 0.62 0.23 -1.54 0.00 0.00 0.00 177.39 176.69 3i4m n SER 599 N 0.28 0.15 0.01 1.96 3.41 -1.24 -4.88 113.62 113.32 3i4m n SER 599 Ca 0.08 0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3i4m n SER 599 Cb 1.09 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.79 3i4m n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3i4m h PRO 600 N 1.06 -0.03 -0.22 4.33 0.13 -1.93 -3.32 132.00 132.02 3i4m h PRO 600 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3i4m h PRO 600 Cb 0.38 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.51 3i4m h PRO 600 CO 0.22 -0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.60 3i4m n LYS 601 N -2.34 0.42 -1.96 0.86 5.02 -1.26 -4.69 118.16 114.21 3i4m n LYS 601 Ca -0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3i4m n LYS 601 Cb 0.01 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3i4m n LYS 601 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4m n ASP 602 N -0.09 -4.44 -3.50 4.39 8.00 -1.25 -4.86 116.55 114.80 3i4m n ASP 602 Ca 0.00 0.11 -0.26 0.00 0.71 0.00 0.00 54.79 55.35 3i4m n ASP 602 Cb 0.05 -3.45 0.24 0.00 -0.02 0.00 0.00 41.12 37.94 3i4m n ASP 602 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i4m n ASN 603 N -0.53 -3.54 -0.25 -2.24 4.13 -1.26 -2.73 115.26 108.84 3i4m n ASN 603 Ca -0.16 -0.63 0.01 0.00 1.68 0.00 0.00 54.58 55.49 3i4m n ASN 603 Cb 0.57 -0.94 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 3i4m n ASN 603 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i4m n GLY 604 N 2.02 -0.27 3.27 7.41 0.00 -1.26 -4.43 105.19 111.94 3i4m n GLY 604 Ca 0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3i4m n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i4m s MET 605 N -0.38 0.41 -0.12 1.61 1.75 -1.26 -4.19 119.30 117.12 3i4m s MET 605 Ca 0.00 0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 55.11 3i4m s MET 605 Cb 0.00 0.06 0.05 0.00 2.84 0.00 0.00 34.83 37.78 3i4m s MET 605 CO 0.00 -0.12 0.06 -1.17 -0.65 0.00 0.00 175.02 173.13 3i4m s LEU 606 N 0.99 0.46 -0.02 4.11 2.96 -0.95 -0.53 118.68 125.69 3i4m s LEU 606 Ca -0.06 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3i4m s LEU 606 Cb -0.07 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 3i4m s LEU 606 CO -0.08 -0.29 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.82 3i4m s ILE 607 N 2.08 1.65 -0.01 6.68 1.01 -0.64 0.05 121.20 132.02 3i4m s ILE 607 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3i4m s ILE 607 Cb -0.14 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3i4m s ILE 607 CO -0.06 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.68 3i4m s ILE 608 N -0.38 0.28 -0.61 2.92 1.01 0.05 -0.64 121.20 123.82 3i4m s ILE 608 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3i4m s ILE 608 Cb -0.09 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.13 3i4m s ILE 608 CO 0.00 0.09 0.00 -0.67 0.00 0.00 0.00 174.94 174.36 3i4m n ASP 609 N 3.13 -2.21 0.00 3.58 2.03 -1.09 0.40 116.55 122.38 3i4m n ASP 609 Ca -0.14 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i4m n ASP 609 Cb 0.58 -2.05 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 3i4m n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i4m n GLY 610 N 0.01 1.54 2.94 0.27 0.00 -1.11 -3.85 105.19 105.00 3i4m n GLY 610 Ca -0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 3i4m n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i4m s GLN 611 N -1.22 0.91 -0.32 1.61 -1.52 0.16 -4.53 119.66 114.75 3i4m s GLN 611 Ca 0.00 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 52.92 3i4m s GLN 611 Cb 0.00 -0.86 -0.01 0.00 -0.22 0.00 0.00 33.01 31.91 3i4m s GLN 611 CO 0.00 0.01 1.67 0.42 -0.25 0.00 0.00 175.29 177.14 3i4m s ILE 612 N 0.56 3.62 0.01 1.08 1.01 -1.26 -0.77 121.20 125.45 3i4m s ILE 612 Ca -0.08 0.65 0.06 0.00 0.00 0.00 0.00 60.65 61.28 3i4m s ILE 612 Cb -0.12 -3.79 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 3i4m s ILE 612 CO 0.01 -0.47 0.88 0.40 0.00 0.00 0.00 174.94 175.76 3i4m h ILE 613 N 6.59 1.17 -1.03 2.92 2.04 -0.75 -3.44 117.51 125.02 3i4m h ILE 613 Ca -0.32 -2.92 0.31 0.00 1.00 0.00 0.00 64.86 62.92 3i4m h ILE 613 Cb 1.15 2.64 -0.23 0.00 -0.74 0.00 0.00 36.82 39.63 3i4m h ILE 613 CO 1.04 0.73 0.99 0.72 0.00 0.00 0.00 178.15 181.62 3i4m s PHE 614 N -2.63 -0.01 0.00 1.37 -0.12 -1.14 -4.99 117.98 110.45 3i4m s PHE 614 Ca -0.05 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 3i4m s PHE 614 Cb 0.08 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 3i4m s PHE 614 CO 0.83 -0.01 0.00 0.41 -0.05 0.00 0.00 175.22 176.39 3i4m n GLY 615 N 0.17 0.25 3.46 1.99 0.00 -1.26 -2.23 105.19 107.57 3i4m n GLY 615 Ca 0.04 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 3i4m n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 616 N -2.00 1.41 -0.07 1.61 1.01 -1.11 -4.87 120.40 116.37 3i4m s VAL 616 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3i4m s VAL 616 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3i4m s VAL 616 CO 0.00 0.00 -0.05 -0.69 0.00 0.00 0.00 175.10 174.36 3i4m s VAL 617 N -2.67 0.72 0.27 2.92 1.01 -1.26 -4.82 120.40 116.57 3i4m s VAL 617 Ca 0.70 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3i4m s VAL 617 Cb -0.11 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.55 3i4m s VAL 617 CO 0.57 0.29 0.57 -1.84 0.00 0.00 0.00 175.10 174.69 3i4m n GLU 618 N 4.53 0.77 -0.16 2.72 -0.00 -1.26 -3.15 120.64 124.09 3i4m n GLU 618 Ca -0.17 -1.52 0.13 0.00 -0.00 0.00 0.00 57.16 55.60 3i4m n GLU 618 Cb 0.51 1.90 0.21 0.00 -0.00 0.00 0.00 31.44 34.06 3i4m n GLU 618 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i4m n LYS 619 N -0.39 -0.01 -0.16 3.44 4.81 -0.81 0.24 118.16 125.28 3i4m n LYS 619 Ca -0.06 0.35 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 3i4m n LYS 619 Cb 0.42 -0.72 0.02 0.00 0.02 0.00 0.00 35.03 34.77 3i4m n LYS 619 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i4m h LYS 620 N 0.00 1.00 0.00 1.64 1.57 -1.94 -1.17 116.57 117.66 3i4m h LYS 620 Ca 0.26 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3i4m h LYS 620 Cb 0.91 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 3i4m h LYS 620 CO -0.09 1.08 -0.76 2.41 -0.57 0.00 0.00 179.45 181.52 3i4m n THR 621 N -4.12 1.45 0.14 -0.16 -1.04 0.65 -4.56 114.28 106.65 3i4m n THR 621 Ca 0.01 0.15 0.08 0.00 -2.04 0.00 0.00 64.05 62.24 3i4m n THR 621 Cb 0.43 -2.32 0.05 0.00 -1.82 0.00 0.00 70.33 66.68 3i4m n THR 621 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3i4m h VAL 622 N -1.00 0.31 -1.21 12.58 3.04 -1.64 0.26 116.25 128.58 3i4m h VAL 622 Ca -0.08 -1.47 -0.08 0.00 -1.01 0.00 0.00 66.70 64.06 3i4m h VAL 622 Cb 0.73 2.00 0.05 0.00 -2.01 0.00 0.00 31.29 32.06 3i4m h VAL 622 CO -0.05 0.17 -0.04 0.61 -1.01 0.00 0.00 177.57 177.26 3i4m n GLY 623 N 1.20 -2.62 0.53 3.17 0.00 -0.44 -3.71 105.19 103.31 3i4m n GLY 623 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.18 3i4m n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 624 N -2.40 1.28 -4.15 1.61 3.41 -1.26 -4.66 113.62 107.46 3i4m n SER 624 Ca 0.03 -2.08 -0.35 0.00 -0.26 0.00 0.00 58.87 56.21 3i4m n SER 624 Cb 0.13 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 63.80 3i4m n SER 624 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i4m n SER 625 N -0.01 -2.64 -0.06 4.04 3.41 -1.26 -4.32 113.62 112.78 3i4m n SER 625 Ca 0.03 -0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.48 3i4m n SER 625 Cb 0.29 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.41 3i4m n SER 625 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3i4m h ASN 626 N -1.64 0.00 -0.26 4.04 -0.73 -1.90 -3.27 115.58 111.81 3i4m h ASN 626 Ca -0.48 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.15 3i4m h ASN 626 Cb 1.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.96 3i4m h ASN 626 CO 0.31 0.78 0.00 0.61 -0.37 0.00 0.00 177.43 178.76 3i4m n GLY 627 N 1.69 1.74 3.47 1.57 0.00 -1.26 -4.74 105.19 107.66 3i4m n GLY 627 Ca -0.06 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.13 3i4m n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 628 N 0.44 -1.19 0.34 -0.02 0.00 -1.23 -4.64 105.19 98.89 3i4m n GLY 628 Ca 0.12 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.55 3i4m n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i4m h LEU 629 N 1.32 0.71 0.00 0.99 7.12 -0.78 0.41 115.31 125.08 3i4m h LEU 629 Ca -0.34 0.11 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 3i4m h LEU 629 Cb 1.40 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 3i4m h LEU 629 CO 0.57 0.23 -0.00 -0.29 -0.13 0.00 0.00 178.44 178.82 3i4m h ILE 630 N 0.70 1.12 -1.00 4.05 2.10 -1.82 0.12 117.51 122.76 3i4m h ILE 630 Ca 0.57 -0.36 0.03 0.00 1.08 0.00 0.00 64.86 66.19 3i4m h ILE 630 Cb 0.92 1.36 -0.06 0.00 -1.09 0.00 0.00 36.82 37.95 3i4m h ILE 630 CO -0.40 0.09 0.66 -0.74 -1.08 0.00 0.00 178.15 176.68 3i4m h HIS 631 N -0.16 1.24 0.63 2.19 2.76 -1.03 -2.47 115.15 118.31 3i4m h HIS 631 Ca -0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3i4m h HIS 631 Cb 0.16 -0.42 0.01 0.00 1.55 0.00 0.00 27.41 28.71 3i4m h HIS 631 CO -0.03 0.73 -0.30 0.28 -1.30 0.00 0.00 177.93 177.31 3i4m h VAL 632 N 1.30 0.00 -0.96 5.26 2.07 -0.02 -3.07 116.25 120.81 3i4m h VAL 632 Ca 0.39 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 67.81 3i4m h VAL 632 Cb -0.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.59 3i4m h VAL 632 CO -0.11 0.00 -0.44 0.52 0.02 0.00 0.00 177.57 177.56 3i4m n VAL 633 N -4.92 -0.55 -0.10 2.57 0.31 0.39 -0.77 118.33 115.25 3i4m n VAL 633 Ca -0.11 2.28 -0.12 0.00 -0.01 0.00 0.00 64.34 66.39 3i4m n VAL 633 Cb 0.33 -2.95 -0.07 0.00 -0.91 0.00 0.00 33.84 30.24 3i4m n VAL 633 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i4m h THR 634 N 0.00 0.07 0.00 2.52 2.02 -1.49 0.59 112.91 116.62 3i4m h THR 634 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 3i4m h THR 634 Cb 0.52 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3i4m h THR 634 CO -0.94 0.00 0.00 0.54 0.37 0.00 0.00 175.52 175.49 3i4m n ARG 635 N -5.41 0.00 0.03 6.66 5.12 -0.19 -0.51 116.66 122.35 3i4m n ARG 635 Ca -0.02 0.45 0.22 0.00 -1.93 0.00 0.00 57.85 56.57 3i4m n ARG 635 Cb 0.35 -1.36 0.72 0.00 -1.16 0.00 0.00 32.46 31.01 3i4m n ARG 635 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3i4m h GLU 636 N 0.00 0.00 0.00 5.56 4.57 -0.87 -3.35 114.58 120.50 3i4m h GLU 636 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3i4m h GLU 636 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3i4m h GLU 636 CO 0.00 0.00 -0.43 1.63 -1.18 0.00 0.00 179.01 179.03 3i4m n LYS 637 N -3.76 0.08 0.00 1.92 4.76 0.20 -5.05 118.16 116.33 3i4m n LYS 637 Ca 0.10 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3i4m n LYS 637 Cb 0.74 -0.65 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 3i4m n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i4m n GLY 638 N 3.07 3.01 0.36 0.72 0.00 0.33 -4.78 105.19 107.90 3i4m n GLY 638 Ca -0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 3i4m n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4m h PRO 639 N 0.00 1.21 0.05 1.61 0.13 -1.85 -2.45 132.00 130.70 3i4m h PRO 639 Ca 0.00 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3i4m h PRO 639 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 3i4m h PRO 639 CO 0.00 0.86 -0.02 1.96 -0.23 0.00 0.00 178.00 180.57 3i4m h GLN 640 N 1.22 -0.06 0.09 0.86 1.08 -1.92 -0.83 115.11 115.55 3i4m h GLN 640 Ca 0.31 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.53 3i4m h GLN 640 Cb -0.01 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 3i4m h GLN 640 CO -0.05 0.18 -0.49 0.28 -0.95 0.00 0.00 178.83 177.80 3i4m h VAL 641 N -0.29 0.00 -0.66 -0.54 2.07 -1.80 -2.05 116.25 112.98 3i4m h VAL 641 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3i4m h VAL 641 Cb 0.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 3i4m h VAL 641 CO 0.01 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.97 3i4m h ALA 643 N 1.34 -0.60 0.00 0.00 0.00 -0.63 0.48 119.26 119.85 3i4m h ALA 643 Ca 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3i4m h ALA 643 Cb 0.17 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i4m h ALA 643 CO -0.18 -0.95 -0.02 -0.22 0.00 0.00 0.00 179.25 177.88 3i4m h LYS 644 N -0.39 0.00 -0.34 0.00 3.64 -0.93 -2.87 116.57 115.68 3i4m h LYS 644 Ca 0.10 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3i4m h LYS 644 Cb 0.61 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3i4m h LYS 644 CO -0.55 0.02 0.11 1.25 -2.27 0.00 0.00 179.45 178.01 3i4m h LEU 645 N 0.00 0.11 -0.98 5.20 5.85 0.65 -0.29 115.31 125.85 3i4m h LEU 645 Ca -0.00 0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.98 3i4m h LEU 645 Cb 0.08 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 3i4m h LEU 645 CO 0.00 0.10 0.56 -0.26 -0.34 0.00 0.00 178.44 178.50 3i4m h PHE 646 N 0.25 0.96 0.57 1.25 -1.00 -1.33 -0.07 116.94 117.56 3i4m h PHE 646 Ca 0.15 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 3i4m h PHE 646 Cb 0.13 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 3i4m h PHE 646 CO -0.15 0.11 -0.44 0.78 -1.61 0.00 0.00 178.31 177.00 3i4m h GLY 647 N 0.61 -1.21 0.57 -1.45 0.00 -1.18 0.56 103.07 100.97 3i4m h GLY 647 Ca 0.60 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 48.44 3i4m h GLY 647 CO -0.45 -0.39 -0.47 3.43 0.00 0.00 0.00 176.54 178.67 3i4m h ASN 648 N -0.97 -1.25 -0.67 0.19 2.35 -0.90 0.10 115.58 114.43 3i4m h ASN 648 Ca -0.07 0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3i4m h ASN 648 Cb 0.81 0.39 -0.12 0.00 0.05 0.00 0.00 38.32 39.46 3i4m h ASN 648 CO 0.01 -0.65 -0.44 0.40 -1.65 0.00 0.00 177.43 175.10 3i4m h ILE 649 N -1.01 0.07 0.00 2.81 2.04 -1.01 -0.15 117.51 120.26 3i4m h ILE 649 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3i4m h ILE 649 Cb 0.85 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3i4m h ILE 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3i4m n GLN 650 N -5.40 0.00 -0.39 2.37 6.02 0.20 -1.53 117.38 118.64 3i4m n GLN 650 Ca 0.03 0.61 0.32 0.00 -0.01 0.00 0.00 57.00 57.95 3i4m n GLN 650 Cb 0.35 -1.38 0.59 0.00 1.02 0.00 0.00 30.24 30.83 3i4m n GLN 650 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3i4m h LYS 651 N 0.00 0.15 0.00 -1.09 1.57 -0.34 0.80 116.57 117.65 3i4m h LYS 651 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i4m h LYS 651 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3i4m h LYS 651 CO 0.00 0.10 0.00 0.28 -0.57 0.00 0.00 179.45 179.26 3i4m n VAL 652 N -4.83 0.00 -0.03 0.50 0.31 -0.11 -1.91 118.33 112.26 3i4m n VAL 652 Ca 0.35 0.86 -0.11 0.00 -0.01 0.00 0.00 64.34 65.43 3i4m n VAL 652 Cb 1.27 -1.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.31 3i4m n VAL 652 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i4m h VAL 653 N 0.00 0.20 -0.83 2.52 2.07 -1.00 0.33 116.25 119.54 3i4m h VAL 653 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3i4m h VAL 653 Cb 0.00 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 29.81 3i4m h VAL 653 CO 0.00 0.00 -0.28 0.78 0.02 0.00 0.00 177.57 178.09 3i4m h ASN 654 N -0.41 -1.04 -0.06 0.57 2.35 0.47 0.53 115.58 117.99 3i4m h ASN 654 Ca 0.10 0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3i4m h ASN 654 Cb 0.58 0.60 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 3i4m h ASN 654 CO -0.42 -0.29 0.03 0.15 -1.65 0.00 0.00 177.43 175.24 3i4m h PHE 655 N -0.04 0.10 -0.48 1.19 3.57 -0.53 -1.56 116.94 119.19 3i4m h PHE 655 Ca 0.36 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3i4m h PHE 655 Cb 0.60 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 3i4m h PHE 655 CO -0.72 0.21 0.18 2.35 -2.23 0.00 0.00 178.31 178.10 3i4m h TRP 656 N -0.04 0.32 -0.98 0.41 7.01 0.15 -1.09 115.95 121.73 3i4m h TRP 656 Ca 0.02 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.11 3i4m h TRP 656 Cb 0.15 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.07 3i4m h TRP 656 CO -0.02 0.12 0.63 1.25 -2.79 0.00 0.00 178.44 177.63 3i4m h LEU 657 N 0.36 1.01 -1.00 0.65 5.85 0.20 -2.09 115.31 120.30 3i4m h LEU 657 Ca 0.23 0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.34 3i4m h LEU 657 Cb 0.22 -0.21 -0.18 0.00 0.37 0.00 0.00 40.66 40.87 3i4m h LEU 657 CO -0.22 0.64 0.42 0.25 -0.34 0.00 0.00 178.44 179.19 3i4m h LEU 658 N 1.14 0.14 0.00 2.25 5.85 -0.16 0.08 115.31 124.61 3i4m h LEU 658 Ca 0.42 0.27 -0.26 0.00 0.84 0.00 0.00 57.88 59.15 3i4m h LEU 658 Cb 0.18 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3i4m h LEU 658 CO -0.17 -0.42 -1.50 1.41 -0.34 0.00 0.00 178.44 177.42 3i4m n HIS 659 N -5.31 0.71 -0.28 1.25 8.25 -0.82 -4.22 115.22 114.80 3i4m n HIS 659 Ca 0.35 0.31 0.26 0.00 -0.26 0.00 0.00 57.72 58.37 3i4m n HIS 659 Cb 1.17 -1.01 0.60 0.00 1.12 0.00 0.00 29.99 31.87 3i4m n HIS 659 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3i4m h ASN 660 N -1.00 0.25 -3.88 0.41 -1.24 -1.15 -3.47 115.58 105.51 3i4m h ASN 660 Ca -0.39 0.04 0.08 0.00 0.71 0.00 0.00 56.30 56.74 3i4m h ASN 660 Cb 1.28 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.31 3i4m h ASN 660 CO -0.24 0.07 -0.14 0.61 -1.29 0.00 0.00 177.43 176.44 3i4m n GLY 661 N -1.59 -1.72 0.00 1.57 0.00 -0.01 -5.09 105.19 98.34 3i4m n GLY 661 Ca 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3i4m n GLY 661 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i4m n PHE 662 N -2.22 0.00 -3.32 1.61 7.35 -1.26 -5.00 117.46 114.62 3i4m n PHE 662 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3i4m n PHE 662 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 3i4m n PHE 662 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3i4m n SER 663 N 0.00 0.00 -3.62 -2.13 2.88 -1.26 -5.18 113.62 104.31 3i4m n SER 663 Ca 0.00 -0.75 -0.16 0.00 -1.33 0.00 0.00 58.87 56.63 3i4m n SER 663 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3i4m n SER 663 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i4m s THR 664 N -2.43 0.02 0.00 2.46 2.01 -1.26 -4.73 115.64 111.71 3i4m s THR 664 Ca 0.00 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3i4m s THR 664 Cb 0.00 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.66 3i4m s THR 664 CO 0.00 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3i4m n GLY 665 N 1.20 -0.02 0.00 4.40 0.00 -1.26 -5.03 105.19 104.48 3i4m n GLY 665 Ca -0.19 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3i4m n GLY 665 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i4m n ILE 666 N 0.00 0.00 -0.05 -0.61 -6.64 -1.26 -1.69 119.36 109.10 3i4m n ILE 666 Ca 0.00 0.00 0.25 0.00 -1.77 0.00 0.00 62.75 61.23 3i4m n ILE 666 Cb 0.00 0.00 0.71 0.00 -1.44 0.00 0.00 39.64 38.91 3i4m n ILE 666 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 3i4m h GLY 667 N 0.00 0.00 2.00 3.28 0.00 -1.95 1.02 103.07 107.42 3i4m h GLY 667 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i4m h GLY 667 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.99 3i4m h ASP 668 N 0.00 0.00 0.22 0.19 3.32 -1.73 -3.27 116.42 115.15 3i4m h ASP 668 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3i4m h ASP 668 Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3i4m h ASP 668 CO -0.00 0.00 -1.13 0.35 -1.72 0.00 0.00 179.24 176.73 3i4m n THR 669 N -2.41 0.07 -2.92 0.35 -2.24 0.35 -4.76 114.28 102.72 3i4m n THR 669 Ca 0.05 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 3i4m n THR 669 Cb 0.43 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 3i4m n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i4m s ILE 670 N -3.17 4.63 0.55 2.28 1.01 -0.98 -3.94 121.20 121.59 3i4m s ILE 670 Ca 0.04 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.25 3i4m s ILE 670 Cb 0.15 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3i4m s ILE 670 CO 0.84 -0.63 1.03 0.00 0.00 0.00 0.00 174.94 176.18 3i4m s ALA 671 N 3.34 2.86 0.21 9.38 0.00 -1.26 -4.95 121.76 131.35 3i4m s ALA 671 Ca 0.33 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 3i4m s ALA 671 Cb -0.12 -3.20 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 3i4m s ALA 671 CO 0.21 -0.53 0.72 -3.47 0.00 0.00 0.00 175.76 172.69 3i4m n ASP 672 N -1.67 -0.33 0.00 0.00 2.03 -1.26 -4.73 116.55 110.59 3i4m n ASP 672 Ca 0.08 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.54 3i4m n ASP 672 Cb 0.53 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 3i4m n ASP 672 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i4m n GLY 673 N 1.76 -2.64 0.34 0.27 0.00 -1.26 -1.92 105.19 101.74 3i4m n GLY 673 Ca 0.16 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.73 3i4m n GLY 673 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4m h PRO 674 N 0.00 1.05 0.00 1.61 0.13 -1.99 -0.85 132.00 131.94 3i4m h PRO 674 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3i4m h PRO 674 Cb 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 30.89 3i4m h PRO 674 CO 0.00 0.69 0.10 2.41 -0.23 0.00 0.00 178.00 180.97 3i4m n THR 675 N -4.56 1.61 -0.12 1.56 -1.04 -0.81 0.11 114.28 111.04 3i4m n THR 675 Ca 0.13 0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 62.43 3i4m n THR 675 Cb 0.16 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 3i4m n THR 675 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3i4m n MET 676 N -1.41 0.56 -0.17 -2.82 2.81 -0.34 -3.99 117.12 111.76 3i4m n MET 676 Ca -0.00 0.29 -0.01 0.00 -1.81 0.00 0.00 57.70 56.16 3i4m n MET 676 Cb 0.10 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.18 3i4m n MET 676 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i4m h ARG 677 N -1.00 0.22 -0.14 0.03 1.12 -1.02 1.58 114.38 115.17 3i4m h ARG 677 Ca -0.42 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.47 3i4m h ARG 677 Cb 1.35 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.25 3i4m h ARG 677 CO -0.26 0.14 0.50 1.49 -3.11 0.00 0.00 179.97 178.74 3i4m h GLU 678 N 0.22 0.00 0.06 0.20 4.81 0.53 0.68 114.58 121.08 3i4m h GLU 678 Ca 0.27 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.22 3i4m h GLU 678 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3i4m h GLU 678 CO -0.36 0.00 -1.49 0.82 -0.73 0.00 0.00 179.01 177.25 3i4m h ILE 679 N 0.00 0.86 0.00 2.32 2.04 0.21 -3.11 117.51 119.83 3i4m h ILE 679 Ca 0.07 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.66 3i4m h ILE 679 Cb 1.08 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3i4m h ILE 679 CO -0.00 0.57 0.38 0.74 0.00 0.00 0.00 178.15 179.83 3i4m h THR 680 N -0.55 0.00 0.03 -0.27 2.02 0.93 1.07 112.91 116.14 3i4m h THR 680 Ca -0.36 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.45 3i4m h THR 680 Cb 1.60 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3i4m h THR 680 CO -0.07 0.00 -2.25 -1.84 0.37 0.00 0.00 175.52 171.73 3i4m n GLU 681 N -2.46 0.69 0.20 6.66 0.28 -1.12 -2.47 120.64 122.42 3i4m n GLU 681 Ca -0.01 0.17 0.13 0.00 -0.16 0.00 0.00 57.16 57.28 3i4m n GLU 681 Cb 0.41 -1.60 0.68 0.00 1.43 0.00 0.00 31.44 32.36 3i4m n GLU 681 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3i4m h THR 682 N 0.02 0.00 0.00 3.84 2.02 0.11 0.35 112.91 119.25 3i4m h THR 682 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3i4m h THR 682 Cb 2.01 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3i4m h THR 682 CO -0.00 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.51 3i4m n ILE 683 N -2.41 0.00 -0.18 3.11 5.41 0.54 -4.17 119.36 121.66 3i4m n ILE 683 Ca -0.02 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.90 3i4m n ILE 683 Cb 0.10 -0.40 0.32 0.00 -0.71 0.00 0.00 39.64 38.95 3i4m n ILE 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m n ALA 684 N -1.81 0.55 -0.15 -1.39 0.00 -1.03 0.24 120.51 116.92 3i4m n ALA 684 Ca 0.00 0.58 0.05 0.00 0.00 0.00 0.00 53.44 54.06 3i4m n ALA 684 Cb 0.00 -0.56 0.35 0.00 0.00 0.00 0.00 19.45 19.24 3i4m n ALA 684 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i4m h GLU 685 N 0.00 0.74 0.03 0.00 -0.00 -0.53 -0.40 114.58 114.42 3i4m h GLU 685 Ca 0.47 -0.04 -0.22 0.00 -0.00 0.00 0.00 59.36 59.56 3i4m h GLU 685 Cb 1.21 -0.17 -0.00 0.00 -0.00 0.00 0.00 28.75 29.79 3i4m h GLU 685 CO -0.44 0.49 -0.97 0.00 -0.00 0.00 0.00 179.01 178.09 3i4m h ALA 686 N 1.62 0.38 0.20 1.06 0.00 0.30 -2.29 119.26 120.52 3i4m h ALA 686 Ca 0.27 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3i4m h ALA 686 Cb 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i4m h ALA 686 CO -0.08 0.90 -0.43 0.87 0.00 0.00 0.00 179.25 180.51 3i4m h LYS 687 N 0.14 -0.69 0.00 0.00 1.57 -0.79 0.30 116.57 117.09 3i4m h LYS 687 Ca -0.07 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i4m h LYS 687 Cb 1.63 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.09 3i4m h LYS 687 CO 0.16 -0.46 0.00 1.63 -0.57 0.00 0.00 179.45 180.20 3i4m n LYS 688 N -5.48 0.59 0.01 3.15 5.02 -0.40 0.10 118.16 121.15 3i4m n LYS 688 Ca -0.08 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.32 3i4m n LYS 688 Cb 0.39 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 3i4m n LYS 688 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i4m n LYS 689 N -0.80 0.38 -0.11 1.97 4.81 0.86 -3.62 118.16 121.65 3i4m n LYS 689 Ca 0.09 -0.07 -0.20 0.00 -0.87 0.00 0.00 58.31 57.25 3i4m n LYS 689 Cb 0.04 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.46 3i4m n LYS 689 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i4m n VAL 690 N -2.01 1.51 -0.34 3.15 0.31 0.29 -3.52 118.33 117.71 3i4m n VAL 690 Ca 0.00 -0.11 0.15 0.00 -0.01 0.00 0.00 64.34 64.37 3i4m n VAL 690 Cb 0.47 -2.09 0.29 0.00 -0.91 0.00 0.00 33.84 31.60 3i4m n VAL 690 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i4m n LEU 691 N -4.38 -0.11 0.00 7.52 7.94 0.19 0.13 117.00 128.29 3i4m n LEU 691 Ca -0.34 1.68 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 3i4m n LEU 691 Cb 0.68 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3i4m n LEU 691 CO 0.12 -1.70 0.28 0.47 -1.11 0.00 0.00 177.39 175.45 3i4m n ASP 692 N -5.48 0.00 0.22 1.96 9.92 -1.24 -2.18 116.55 119.75 3i4m n ASP 692 Ca 0.23 0.57 0.04 0.00 -0.53 0.00 0.00 54.79 55.10 3i4m n ASP 692 Cb 0.76 -0.07 0.24 0.00 -0.64 0.00 0.00 41.12 41.42 3i4m n ASP 692 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3i4m h VAL 693 N 0.00 0.00 0.01 2.53 2.07 -1.32 -0.65 116.25 118.90 3i4m h VAL 693 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i4m h VAL 693 Cb 0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3i4m h VAL 693 CO 0.00 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.32 3i4m h THR 694 N 0.00 0.00 -0.84 2.57 2.02 0.13 -3.21 112.91 113.59 3i4m h THR 694 Ca 0.00 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.32 3i4m h THR 694 Cb 1.17 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3i4m h THR 694 CO 0.00 0.00 0.56 0.11 0.37 0.00 0.00 175.52 176.56 3i4m h LYS 695 N -0.07 0.33 -0.07 6.66 1.57 -0.71 1.11 116.57 125.39 3i4m h LYS 695 Ca -0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3i4m h LYS 695 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3i4m h LYS 695 CO 0.00 0.22 0.16 1.49 -0.57 0.00 0.00 179.45 180.75 3i4m h GLU 696 N 0.34 0.00 0.00 3.15 4.81 -1.28 0.99 114.58 122.58 3i4m h GLU 696 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3i4m h GLU 696 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3i4m h GLU 696 CO -0.13 0.00 -0.87 0.00 -0.73 0.00 0.00 179.01 177.28 3i4m n ALA 697 N -2.13 4.28 1.13 2.92 0.00 0.37 -2.90 120.51 124.17 3i4m n ALA 697 Ca -0.01 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 53.02 3i4m n ALA 697 Cb 0.24 -0.65 0.31 0.00 0.00 0.00 0.00 19.45 19.35 3i4m n ALA 697 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4m n GLN 698 N -1.44 1.74 -0.00 0.00 6.02 0.33 -3.37 117.38 120.66 3i4m n GLN 698 Ca 0.03 -1.13 0.03 0.00 -0.01 0.00 0.00 57.00 55.92 3i4m n GLN 698 Cb 0.28 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.15 3i4m n GLN 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4m n ALA 699 N 0.37 2.50 -2.20 -1.58 0.00 -0.45 -5.02 120.51 114.12 3i4m n ALA 699 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i4m n ALA 699 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i4m n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i4m n ASN 700 N -1.41 -1.80 -3.42 0.00 5.15 -1.22 -5.04 115.26 107.53 3i4m n ASN 700 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 3i4m n ASN 700 Cb 0.12 -0.45 -0.08 0.00 -0.53 0.00 0.00 39.78 38.84 3i4m n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3i4m n LEU 701 N -0.49 2.27 -3.64 1.20 4.77 -1.14 -5.07 117.00 114.89 3i4m n LEU 701 Ca 0.00 -5.11 -0.07 0.00 -0.03 0.00 0.00 56.01 50.81 3i4m n LEU 701 Cb 0.45 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3i4m n LEU 701 CO 0.00 2.00 0.36 -0.76 -1.33 0.00 0.00 177.39 177.66 3i4m s LEU 702 N -1.75 -0.94 -0.07 2.23 1.43 -1.26 -4.72 118.68 113.59 3i4m s LEU 702 Ca 0.36 1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 54.67 3i4m s LEU 702 Cb 0.12 2.38 -0.06 0.00 0.03 0.00 0.00 46.19 48.65 3i4m s LEU 702 CO -0.08 -0.24 1.89 -0.89 0.23 0.00 0.00 176.35 177.26 3i4m s THR 703 N 1.64 3.25 0.00 5.49 2.01 -1.26 -4.83 115.64 121.94 3i4m s THR 703 Ca -0.10 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3i4m s THR 703 Cb -0.05 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3i4m s THR 703 CO -0.20 -0.06 0.97 0.00 -0.69 0.00 0.00 174.62 174.64 3i4m n ALA 704 N 8.34 2.65 -0.08 7.40 0.00 -1.26 -4.87 120.51 132.68 3i4m n ALA 704 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i4m n ALA 704 Cb 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i4m n ALA 704 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i4m n LYS 705 N 1.31 0.00 0.00 0.00 5.02 -1.26 -3.64 118.16 119.58 3i4m n LYS 705 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i4m n LYS 705 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 3i4m n LYS 705 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3i4m n HIS 706 N 0.48 0.00 -2.99 2.13 -0.00 -1.26 -3.20 115.22 110.38 3i4m n HIS 706 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3i4m n HIS 706 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 3i4m n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i4m n GLY 707 N 0.00 0.21 3.58 1.57 0.00 -1.26 -5.04 105.19 104.26 3i4m n GLY 707 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 3i4m n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i4m s MET 708 N -5.58 0.64 0.98 1.61 1.00 -1.20 -5.04 119.30 111.73 3i4m s MET 708 Ca 0.27 1.20 -0.14 0.00 0.00 0.00 0.00 55.69 57.03 3i4m s MET 708 Cb -0.12 0.23 0.06 0.00 0.00 0.00 0.00 34.83 35.00 3i4m s MET 708 CO 0.33 -0.16 0.38 2.41 0.00 0.00 0.00 175.02 177.99 3i4m n THR 709 N 4.50 0.00 -0.07 2.05 -1.04 -1.26 -4.40 114.28 114.05 3i4m n THR 709 Ca -0.19 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.05 61.59 3i4m n THR 709 Cb 0.57 -0.65 0.23 0.00 -1.82 0.00 0.00 70.33 68.66 3i4m n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i4m h LEU 710 N -1.70 0.65 0.71 -4.42 4.07 -1.95 0.49 115.31 113.16 3i4m h LEU 710 Ca -0.46 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.34 3i4m h LEU 710 Cb 1.30 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.87 3i4m h LEU 710 CO 0.36 0.69 -0.34 -0.09 -1.08 0.00 0.00 178.44 177.98 3i4m h ARG 711 N 0.67 -0.92 0.00 1.13 9.65 -1.99 -0.96 114.38 121.96 3i4m h ARG 711 Ca 0.14 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3i4m h ARG 711 Cb 0.34 0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3i4m h ARG 711 CO 0.01 -0.61 -0.01 0.93 2.80 0.00 0.00 179.97 183.08 3i4m h GLU 712 N -0.97 -0.01 -0.58 0.20 5.08 -1.77 0.36 114.58 116.89 3i4m h GLU 712 Ca -0.10 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3i4m h GLU 712 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3i4m h GLU 712 CO 0.16 -0.01 1.00 0.77 -1.00 0.00 0.00 179.01 179.93 3i4m h SER 713 N -0.01 0.00 0.00 1.42 0.02 -0.12 -2.07 113.55 112.79 3i4m h SER 713 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i4m h SER 713 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3i4m h SER 713 CO -0.01 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 176.01 3i4m n PHE 714 N -3.05 0.00 -0.29 3.45 7.35 0.05 -3.73 117.46 121.24 3i4m n PHE 714 Ca 0.13 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.89 3i4m n PHE 714 Cb 1.18 -0.26 0.16 0.00 0.35 0.00 0.00 39.48 40.91 3i4m n PHE 714 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3i4m n GLU 715 N -1.28 -0.07 -0.25 -4.13 -0.58 -0.76 -0.30 120.64 113.26 3i4m n GLU 715 Ca 0.00 1.27 -0.04 0.00 -0.42 0.00 0.00 57.16 57.96 3i4m n GLU 715 Cb 0.00 -1.94 0.01 0.00 -0.57 0.00 0.00 31.44 28.94 3i4m n GLU 715 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 3i4m h ASP 716 N 0.00 -1.26 -0.92 1.62 1.82 -1.60 0.37 116.42 116.44 3i4m h ASP 716 Ca 0.43 0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 57.32 3i4m h ASP 716 Cb 0.76 0.63 -0.04 0.00 0.68 0.00 0.00 39.33 41.36 3i4m h ASP 716 CO -0.82 -0.30 0.56 0.78 -1.61 0.00 0.00 179.24 177.84 3i4m h ASN 717 N -0.12 1.11 0.00 2.28 2.35 -0.74 -1.83 115.58 118.63 3i4m h ASN 717 Ca 0.26 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3i4m h ASN 717 Cb 0.56 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3i4m h ASN 717 CO -0.76 0.85 0.00 0.52 -1.65 0.00 0.00 177.43 176.39 3i4m n VAL 718 N -4.36 0.00 -0.18 2.81 0.31 0.11 -1.92 118.33 115.10 3i4m n VAL 718 Ca 0.10 1.26 -0.05 0.00 -0.01 0.00 0.00 64.34 65.64 3i4m n VAL 718 Cb 0.06 -2.14 -0.04 0.00 -0.91 0.00 0.00 33.84 30.81 3i4m n VAL 718 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i4m n VAL 719 N -1.46 -0.29 -0.37 2.52 0.31 -0.06 0.11 118.33 119.09 3i4m n VAL 719 Ca 0.00 1.62 0.34 0.00 -0.01 0.00 0.00 64.34 66.28 3i4m n VAL 719 Cb 0.00 -2.05 0.61 0.00 -0.91 0.00 0.00 33.84 31.48 3i4m n VAL 719 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3i4m h ARG 720 N 0.00 0.03 0.27 5.55 3.08 -1.32 0.12 114.38 122.11 3i4m h ARG 720 Ca 0.07 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3i4m h ARG 720 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i4m h ARG 720 CO -0.40 0.02 -0.13 0.74 -1.07 0.00 0.00 179.97 179.13 3i4m h PHE 721 N 0.03 -0.34 0.43 3.04 0.05 0.14 -0.25 116.94 120.05 3i4m h PHE 721 Ca 0.85 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 62.61 3i4m h PHE 721 Cb 2.37 0.11 -0.01 0.00 2.00 0.00 0.00 35.95 40.42 3i4m h PHE 721 CO -0.01 -0.06 -0.36 -0.07 -0.18 0.00 0.00 178.31 177.62 3i4m h LEU 722 N -0.59 -0.97 -0.81 1.54 4.07 -0.47 0.15 115.31 118.22 3i4m h LEU 722 Ca -0.04 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.10 3i4m h LEU 722 Cb 0.43 0.31 -0.08 0.00 1.08 0.00 0.00 40.66 42.40 3i4m h LEU 722 CO 0.06 -0.50 0.45 0.78 -1.08 0.00 0.00 178.44 178.15 3i4m h ASN 723 N -0.78 0.62 -0.56 -0.43 2.35 -1.56 0.57 115.58 115.79 3i4m h ASN 723 Ca -0.06 0.06 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3i4m h ASN 723 Cb 0.65 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.86 3i4m h ASN 723 CO -0.01 0.34 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.71 3i4m h GLU 724 N 0.74 -0.17 0.00 0.81 4.81 -0.50 -1.27 114.58 119.00 3i4m h GLU 724 Ca 0.40 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3i4m h GLU 724 Cb 0.41 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3i4m h GLU 724 CO -0.27 -0.11 0.00 0.00 -0.73 0.00 0.00 179.01 177.90 3i4m n ALA 725 N -3.12 -0.11 0.00 2.92 0.00 0.48 -3.50 120.51 117.17 3i4m n ALA 725 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i4m n ALA 725 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3i4m n ALA 725 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i4m n ARG 726 N -0.94 0.00 0.42 0.00 0.63 0.17 0.46 116.66 117.40 3i4m n ARG 726 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3i4m n ARG 726 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3i4m n ARG 726 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3i4m h ASP 727 N 0.00 -1.12 -0.39 6.15 5.19 -1.33 -0.33 116.42 124.59 3i4m h ASP 727 Ca 0.00 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 3i4m h ASP 727 Cb 0.00 0.32 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 3i4m h ASP 727 CO 0.00 -0.71 0.08 0.07 -3.12 0.00 0.00 179.24 175.56 3i4m h LYS 728 N -1.14 0.21 -0.98 3.56 2.10 -0.03 0.46 116.57 120.74 3i4m h LYS 728 Ca -0.10 -0.01 0.32 0.00 -2.00 0.00 0.00 60.65 58.86 3i4m h LYS 728 Cb 0.91 -0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 32.04 3i4m h LYS 728 CO 0.12 0.14 0.48 0.00 -2.00 0.00 0.00 179.45 178.19 3i4m h ALA 729 N 1.29 1.85 -3.00 0.07 0.00 -1.05 0.22 119.26 118.64 3i4m h ALA 729 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3i4m h ALA 729 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i4m h ALA 729 CO -0.24 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 178.80 3i4m n GLY 730 N -1.31 -1.64 0.12 0.00 0.00 0.15 -3.45 105.19 99.06 3i4m n GLY 730 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 3i4m n GLY 730 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4m n ARG 731 N -0.41 -0.02 -0.21 1.61 1.74 -0.32 0.79 116.66 119.83 3i4m n ARG 731 Ca 0.00 0.50 -0.07 0.00 -0.77 0.00 0.00 57.85 57.52 3i4m n ARG 731 Cb 0.00 -0.85 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 3i4m n ARG 731 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i4m h LEU 732 N 0.00 -1.22 -1.89 0.55 3.38 -0.62 1.06 115.31 116.57 3i4m h LEU 732 Ca 0.26 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3i4m h LEU 732 Cb 0.62 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3i4m h LEU 732 CO -0.30 -0.15 -0.13 0.00 0.09 0.00 0.00 178.44 177.95 3i4m h ALA 733 N -0.22 1.39 -2.76 1.53 0.00 0.30 -3.04 119.26 116.46 3i4m h ALA 733 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i4m h ALA 733 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i4m h ALA 733 CO -0.50 0.16 0.00 -1.91 0.00 0.00 0.00 179.25 177.00 3i4m n GLU 734 N -3.80 0.00 0.00 0.00 2.13 0.36 -1.38 120.64 117.95 3i4m n GLU 734 Ca -0.02 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3i4m n GLU 734 Cb 0.23 -1.04 0.02 0.00 0.27 0.00 0.00 31.44 30.92 3i4m n GLU 734 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i4m n VAL 735 N -0.77 0.00 -0.02 6.31 0.31 -0.88 -1.24 118.33 122.06 3i4m n VAL 735 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3i4m n VAL 735 Cb 0.00 -0.31 -0.13 0.00 -0.91 0.00 0.00 33.84 32.50 3i4m n VAL 735 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i4m n ASN 736 N -0.52 0.74 -4.67 4.52 2.85 -0.78 -4.84 115.26 112.56 3i4m n ASN 736 Ca 0.00 0.34 -0.43 0.00 -0.11 0.00 0.00 54.58 54.39 3i4m n ASN 736 Cb 0.00 0.18 -0.02 0.00 1.24 0.00 0.00 39.78 41.18 3i4m n ASN 736 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3i4m s LEU 737 N -5.89 4.20 1.20 1.20 1.43 -0.37 -4.86 118.68 115.60 3i4m s LEU 737 Ca -0.05 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.48 3i4m s LEU 737 Cb 0.08 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.99 3i4m s LEU 737 CO 0.82 -0.61 0.52 0.29 0.23 0.00 0.00 176.35 177.60 3i4m n LYS 738 N 5.73 -2.81 0.14 1.70 4.01 -1.26 -4.83 118.16 120.84 3i4m n LYS 738 Ca 0.11 -0.82 -0.01 0.00 -0.51 0.00 0.00 58.31 57.09 3i4m n LYS 738 Cb 0.47 -1.81 0.20 0.00 -0.51 0.00 0.00 35.03 33.38 3i4m n LYS 738 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3i4m h ASP 739 N -2.76 0.03 -0.50 4.39 3.32 -1.98 -2.72 116.42 116.21 3i4m h ASP 739 Ca -0.47 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.71 3i4m h ASP 739 Cb 1.22 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3i4m h ASP 739 CO 0.33 0.59 0.43 0.17 -1.72 0.00 0.00 179.24 179.03 3i4m h LEU 740 N 0.02 0.00 -9.55 1.55 8.10 -2.03 -3.40 115.31 109.99 3i4m h LEU 740 Ca -0.01 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.44 3i4m h LEU 740 Cb 1.01 0.00 0.05 0.00 -0.44 0.00 0.00 40.66 41.28 3i4m h LEU 740 CO 0.08 0.00 1.00 -3.20 -4.11 0.00 0.00 178.44 172.21 3i4m n ASN 741 N -4.03 3.79 0.37 0.17 5.15 -1.03 -4.93 115.26 114.75 3i4m n ASN 741 Ca 0.09 1.04 -0.15 0.00 -0.60 0.00 0.00 54.58 54.96 3i4m n ASN 741 Cb 0.63 -1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 38.29 3i4m n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3i4m h ASN 742 N 7.31 -0.82 -0.48 1.20 2.35 -1.85 -1.81 115.58 121.48 3i4m h ASN 742 Ca -0.45 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 55.46 3i4m h ASN 742 Cb 1.22 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.79 3i4m h ASN 742 CO 0.94 -0.45 0.80 0.58 -1.65 0.00 0.00 177.43 177.65 3i4m h VAL 743 N -1.24 0.11 0.00 2.81 2.07 -1.86 0.32 116.25 118.46 3i4m h VAL 743 Ca -0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 3i4m h VAL 743 Cb 0.75 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3i4m h VAL 743 CO 0.16 0.00 -0.61 0.50 0.02 0.00 0.00 177.57 177.64 3i4m h LYS 744 N 0.00 0.00 -1.01 1.57 3.64 -1.89 -3.24 116.57 115.64 3i4m h LYS 744 Ca 0.23 0.00 0.40 0.00 -1.27 0.00 0.00 60.65 60.01 3i4m h LYS 744 Cb 1.82 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 33.46 3i4m h LYS 744 CO -0.00 0.68 0.55 1.96 -2.27 0.00 0.00 179.45 180.37 3i4m h GLN 745 N -1.00 0.06 -0.07 1.90 4.20 0.49 0.71 115.11 121.40 3i4m h GLN 745 Ca -0.14 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 3i4m h GLN 745 Cb 0.90 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3i4m h GLN 745 CO -0.09 0.04 -0.18 0.52 -0.67 0.00 0.00 178.83 178.46 3i4m h MET 746 N 0.06 0.24 -0.14 1.46 2.86 -1.48 -2.13 114.93 115.80 3i4m h MET 746 Ca 0.83 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 58.34 3i4m h MET 746 Cb 2.15 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.83 3i4m h MET 746 CO -0.73 0.78 0.13 0.28 1.06 0.00 0.00 176.91 178.42 3i4m h VAL 747 N -0.26 0.69 0.15 -2.22 2.07 0.54 0.12 116.25 117.34 3i4m h VAL 747 Ca -0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 3i4m h VAL 747 Cb 0.78 0.91 0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3i4m h VAL 747 CO 0.04 0.00 -1.18 0.24 0.02 0.00 0.00 177.57 176.69 3i4m h MET 748 N 0.00 0.54 -0.20 1.57 2.07 -0.44 -3.21 114.93 115.27 3i4m h MET 748 Ca 0.07 -0.78 -0.10 0.00 -2.07 0.00 0.00 59.70 56.82 3i4m h MET 748 Cb 0.32 0.27 -0.01 0.00 -1.87 0.00 0.00 31.60 30.31 3i4m h MET 748 CO -0.00 1.35 -0.31 0.00 1.07 0.00 0.00 176.91 179.02 3i4m h ALA 749 N 0.22 1.10 0.00 6.32 0.00 -0.64 -3.46 119.26 122.80 3i4m h ALA 749 Ca -0.19 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i4m h ALA 749 Cb 1.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3i4m h ALA 749 CO 0.23 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3i4m n GLY 750 N -0.31 0.96 0.07 0.00 0.00 0.33 -1.92 105.19 104.32 3i4m n GLY 750 Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3i4m n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 751 N 0.45 0.63 -3.64 1.61 3.41 -0.98 -4.88 113.62 110.22 3i4m n SER 751 Ca 0.00 0.13 -0.04 0.00 -0.26 0.00 0.00 58.87 58.70 3i4m n SER 751 Cb 0.01 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 64.69 3i4m n SER 751 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i4m s LYS 752 N -3.34 0.17 0.28 4.33 -0.14 -1.24 -4.58 119.74 115.22 3i4m s LYS 752 Ca -0.00 0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 3i4m s LYS 752 Cb 0.12 0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 3i4m s LYS 752 CO 0.81 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.77 3i4m n GLY 753 N 1.13 -2.94 3.50 -3.33 0.00 -1.26 -2.52 105.19 99.77 3i4m n GLY 753 Ca -0.07 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 3i4m n GLY 753 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4m s SER 754 N -5.51 0.73 0.00 1.61 1.04 -1.26 -4.47 113.70 105.85 3i4m s SER 754 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3i4m s SER 754 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3i4m s SER 754 CO 0.00 -1.28 0.93 0.33 0.98 0.00 0.00 173.24 174.20 3i4m n PHE 755 N -0.53 0.00 -0.28 5.02 7.35 -1.26 -1.09 117.46 126.68 3i4m n PHE 755 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 3i4m n PHE 755 Cb 0.62 -0.45 0.19 0.00 0.35 0.00 0.00 39.48 40.18 3i4m n PHE 755 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3i4m n ILE 756 N -2.85 -0.33 0.08 -2.13 2.08 -1.26 -1.21 119.36 113.74 3i4m n ILE 756 Ca 0.00 1.75 -0.09 0.00 0.56 0.00 0.00 62.75 64.97 3i4m n ILE 756 Cb 0.00 -2.50 -0.06 0.00 -0.75 0.00 0.00 39.64 36.33 3i4m n ILE 756 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3i4m h ASN 757 N 0.00 -0.88 -0.95 4.38 2.35 -1.51 -0.77 115.58 118.20 3i4m h ASN 757 Ca 0.44 0.09 0.18 0.00 -0.55 0.00 0.00 56.30 56.46 3i4m h ASN 757 Cb 0.83 0.32 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 3i4m h ASN 757 CO -0.76 -0.32 0.61 0.40 -1.65 0.00 0.00 177.43 175.70 3i4m h ILE 758 N -0.45 0.73 0.41 2.81 2.04 -1.03 -1.67 117.51 120.35 3i4m h ILE 758 Ca -0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3i4m h ILE 758 Cb 0.44 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3i4m h ILE 758 CO -0.14 0.12 -0.51 0.00 0.00 0.00 0.00 178.15 177.61 3i4m h ALA 759 N 1.61 -1.10 0.00 1.87 0.00 -0.30 0.31 119.26 121.65 3i4m h ALA 759 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3i4m h ALA 759 Cb 0.95 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3i4m h ALA 759 CO -0.27 -1.17 0.00 1.04 0.00 0.00 0.00 179.25 178.86 3i4m n GLN 760 N -5.55 0.09 -0.10 0.00 6.02 -0.40 -0.50 117.38 116.94 3i4m n GLN 760 Ca -0.11 0.35 -0.18 0.00 -0.01 0.00 0.00 57.00 57.06 3i4m n GLN 760 Cb 0.45 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 3i4m n GLN 760 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3i4m n MET 761 N -1.85 0.54 -0.01 -1.09 2.81 -0.71 -1.72 117.12 115.08 3i4m n MET 761 Ca 0.03 0.41 -0.11 0.00 -1.81 0.00 0.00 57.70 56.22 3i4m n MET 761 Cb 0.18 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 30.94 3i4m n MET 761 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3i4m h SER 762 N -1.00 0.09 0.00 7.83 0.02 -0.44 -1.51 113.55 118.53 3i4m h SER 762 Ca -0.30 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3i4m h SER 762 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3i4m h SER 762 CO -0.18 1.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.69 3i4m n ALA 763 N -2.64 0.00 -3.26 3.77 0.00 0.34 -4.57 120.51 114.15 3i4m n ALA 763 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 3i4m n ALA 763 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.35 3i4m n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n VAL 765 N 3.53 0.00 0.00 0.00 0.31 -0.91 -3.91 118.33 117.35 3i4m n VAL 765 Ca -0.19 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 3i4m n VAL 765 Cb 0.56 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3i4m n VAL 765 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i4m n GLY 766 N -0.86 1.33 3.45 2.92 0.00 -0.92 -4.71 105.19 106.41 3i4m n GLY 766 Ca 0.00 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 3i4m n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i4m s GLN 767 N -1.48 3.15 0.46 1.61 2.00 -1.26 -0.52 119.66 123.62 3i4m s GLN 767 Ca 0.00 -0.84 -0.25 0.00 -2.00 0.00 0.00 55.36 52.28 3i4m s GLN 767 Cb 0.00 -4.14 -0.08 0.00 0.80 0.00 0.00 33.01 29.59 3i4m s GLN 767 CO 0.00 -1.41 1.36 1.04 -0.50 0.00 0.00 175.29 175.78 3i4m n GLN 768 N 6.65 2.04 -4.04 1.67 3.00 0.17 -4.92 117.38 121.95 3i4m n GLN 768 Ca -0.05 0.73 -0.12 0.00 -0.01 0.00 0.00 57.00 57.55 3i4m n GLN 768 Cb 0.45 -2.54 -0.12 0.00 0.00 0.00 0.00 30.24 28.04 3i4m n GLN 768 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i4m s SER 769 N -0.57 0.63 -0.27 1.08 0.15 -1.26 -3.93 113.70 109.52 3i4m s SER 769 Ca 0.63 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.83 3i4m s SER 769 Cb -0.46 0.04 0.08 0.00 -1.71 0.00 0.00 66.02 63.97 3i4m s SER 769 CO 0.56 -0.19 0.02 -0.69 1.20 0.00 0.00 173.24 174.14 3i4m s VAL 770 N -1.18 1.42 -0.77 4.45 1.01 -1.22 -4.63 120.40 119.48 3i4m s VAL 770 Ca -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.42 3i4m s VAL 770 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3i4m s VAL 770 CO -0.00 -0.38 0.13 -0.62 0.00 0.00 0.00 175.10 174.23 3i4m n GLU 771 N 4.66 -1.44 0.00 2.72 1.02 -1.26 -2.74 120.64 123.61 3i4m n GLU 771 Ca -0.06 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3i4m n GLU 771 Cb 0.43 -4.39 0.00 0.00 -0.02 0.00 0.00 31.44 27.46 3i4m n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 772 N -1.05 2.22 3.32 0.62 0.00 -1.26 -4.93 105.19 104.12 3i4m n GLY 772 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 3i4m n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4m s LYS 773 N 0.00 2.91 0.32 1.61 1.02 -1.11 -5.03 119.74 119.46 3i4m s LYS 773 Ca 0.00 -1.58 -0.20 0.00 0.02 0.00 0.00 55.97 54.21 3i4m s LYS 773 Cb 0.00 -4.18 -0.14 0.00 -0.52 0.00 0.00 37.83 32.99 3i4m s LYS 773 CO 0.00 -1.20 0.15 2.89 -0.92 0.00 0.00 175.35 176.28 3i4m n ARG 774 N 5.18 0.00 -0.14 1.68 1.85 -1.26 -3.38 116.66 120.59 3i4m n ARG 774 Ca -0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.67 3i4m n ARG 774 Cb 0.41 -0.87 -0.01 0.00 -1.05 0.00 0.00 32.46 30.94 3i4m n ARG 774 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i4m n ILE 775 N -0.70 0.00 -2.21 8.89 2.08 -0.46 -4.81 119.36 122.14 3i4m n ILE 775 Ca 0.11 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.21 3i4m n ILE 775 Cb 0.32 -0.03 0.13 0.00 -0.75 0.00 0.00 39.64 39.31 3i4m n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i4m n ALA 776 N 0.30 -0.45 -1.43 -1.39 0.00 -1.26 -4.70 120.51 111.57 3i4m n ALA 776 Ca 0.02 -1.54 -0.31 0.00 0.00 0.00 0.00 53.44 51.61 3i4m n ALA 776 Cb -0.00 0.12 0.03 0.00 0.00 0.00 0.00 19.45 19.60 3i4m n ALA 776 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i4m n PHE 777 N -3.00 2.48 0.03 0.00 0.99 -1.26 -4.39 117.46 112.31 3i4m n PHE 777 Ca 0.14 -2.40 0.00 0.00 -0.00 0.00 0.00 57.45 55.19 3i4m n PHE 777 Cb 0.49 -1.27 0.01 0.00 -1.00 0.00 0.00 39.48 37.71 3i4m n PHE 777 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i4m n GLY 778 N -0.19 -0.32 2.43 1.37 0.00 -1.26 -1.99 105.19 105.23 3i4m n GLY 778 Ca 0.51 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 3i4m n GLY 778 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i4m n PHE 779 N -1.30 3.11 -3.01 1.61 -0.00 -1.12 -4.96 117.46 111.80 3i4m n PHE 779 Ca 0.00 -2.73 -0.12 0.00 -0.00 0.00 0.00 57.45 54.60 3i4m n PHE 779 Cb 0.00 -1.09 0.01 0.00 -0.00 0.00 0.00 39.48 38.41 3i4m n PHE 779 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i4m n VAL 780 N -0.76 -8.59 -4.04 -2.13 0.31 -0.84 -3.60 118.33 98.69 3i4m n VAL 780 Ca 0.56 0.90 -0.32 0.00 -0.01 0.00 0.00 64.34 65.47 3i4m n VAL 780 Cb 0.61 -5.83 0.00 0.00 -0.91 0.00 0.00 33.84 27.71 3i4m n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i4m n ASP 781 N 0.18 -4.00 -3.55 4.52 8.00 -1.23 -4.75 116.55 115.73 3i4m n ASP 781 Ca 0.03 -0.88 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 3i4m n ASP 781 Cb 0.40 -3.40 -0.02 0.00 -0.02 0.00 0.00 41.12 38.08 3i4m n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m s ARG 782 N -6.74 0.58 -0.03 -1.24 1.70 -1.24 0.16 118.95 112.15 3i4m s ARG 782 Ca 0.66 -0.20 0.10 0.00 -0.47 0.00 0.00 55.73 55.83 3i4m s ARG 782 Cb -0.35 0.27 -0.23 0.00 -0.57 0.00 0.00 34.95 34.07 3i4m s ARG 782 CO 0.87 -0.25 0.71 1.15 -1.08 0.00 0.00 175.30 176.70 3i4m h THR 783 N 2.02 0.92 -3.62 4.99 2.02 -1.81 -2.96 112.91 114.48 3i4m h THR 783 Ca -0.16 -2.75 -0.08 0.00 0.77 0.00 0.00 66.41 64.19 3i4m h THR 783 Cb 1.20 2.48 -0.08 0.00 -1.74 0.00 0.00 68.15 70.01 3i4m h THR 783 CO 0.27 0.57 -0.06 -0.76 0.37 0.00 0.00 175.52 175.91 3i4m s LEU 784 N -6.25 0.37 0.00 2.58 1.43 -1.26 -4.78 118.68 110.77 3i4m s LEU 784 Ca -0.06 -1.03 0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3i4m s LEU 784 Cb 0.08 1.90 0.85 0.00 0.03 0.00 0.00 46.19 49.06 3i4m s LEU 784 CO 0.82 -1.25 1.62 -0.81 0.23 0.00 0.00 176.35 176.97 3i4m n PRO 785 N -0.44 0.04 -0.03 1.29 -0.04 -1.26 -2.15 135.00 132.42 3i4m n PRO 785 Ca -0.02 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 3i4m n PRO 785 Cb 0.61 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 3i4m n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i4m n HIS 786 N -1.47 0.07 -4.31 0.54 8.25 -1.26 -4.81 115.22 112.23 3i4m n HIS 786 Ca 0.05 -0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 3i4m n HIS 786 Cb 0.22 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.19 3i4m n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i4m s PHE 787 N -1.89 1.29 0.18 4.41 2.99 -0.91 -5.11 117.98 118.92 3i4m s PHE 787 Ca 0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 56.93 56.29 3i4m s PHE 787 Cb 0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 43.02 42.21 3i4m s PHE 787 CO 0.02 0.05 0.88 -1.12 -0.00 0.00 0.00 175.22 175.06 3i4m s SER 788 N -1.36 7.51 1.02 1.36 0.01 -1.26 -4.87 113.70 116.11 3i4m s SER 788 Ca 0.01 1.79 -0.19 0.00 1.31 0.00 0.00 55.95 58.86 3i4m s SER 788 Cb -0.09 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3i4m s SER 788 CO 0.02 0.12 -0.54 0.29 0.41 0.00 0.00 173.24 173.53 3i4m n LYS 789 N 1.89 -0.48 -4.03 12.44 5.02 -1.26 -3.64 118.16 128.10 3i4m n LYS 789 Ca -0.02 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 3i4m n LYS 789 Cb 0.48 -1.37 0.02 0.00 -0.02 0.00 0.00 35.03 34.14 3i4m n LYS 789 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4m n ASP 790 N 1.13 -3.85 -4.05 4.39 9.92 0.43 -4.92 116.55 119.60 3i4m n ASP 790 Ca 0.01 -1.18 -0.34 0.00 -0.53 0.00 0.00 54.79 52.75 3i4m n ASP 790 Cb 0.63 -1.46 -0.12 0.00 -0.64 0.00 0.00 41.12 39.52 3i4m n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i4m s ASP 791 N -3.55 4.90 0.00 -2.24 -1.08 -1.24 -4.93 116.67 108.53 3i4m s ASP 791 Ca 0.40 -2.56 0.27 0.00 -0.52 0.00 0.00 52.55 50.15 3i4m s ASP 791 Cb -0.23 -1.75 1.31 0.00 -1.46 0.00 0.00 42.92 40.80 3i4m s ASP 791 CO 0.89 -0.38 1.88 -1.22 0.52 0.00 0.00 175.17 176.87 3i4m n TYR 792 N 3.81 0.03 -2.01 -5.34 4.02 -1.26 -4.74 117.16 111.67 3i4m n TYR 792 Ca 0.04 -0.01 -0.36 0.00 -0.01 0.00 0.00 57.90 57.56 3i4m n TYR 792 Cb 0.38 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.73 3i4m n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i4m s SER 793 N -1.89 5.21 0.43 7.72 1.04 -1.26 -4.78 113.70 120.17 3i4m s SER 793 Ca 0.39 2.33 0.13 0.00 0.48 0.00 0.00 55.95 59.29 3i4m s SER 793 Cb 0.20 -2.59 1.01 0.00 0.10 0.00 0.00 66.02 64.73 3i4m s SER 793 CO 0.32 -1.57 1.98 1.55 0.98 0.00 0.00 173.24 176.50 3i4m h PRO 794 N 0.82 0.42 0.00 4.02 0.13 -1.97 -1.00 132.00 134.43 3i4m h PRO 794 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3i4m h PRO 794 Cb 1.29 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i4m h PRO 794 CO 0.55 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 3i4m n GLU 795 N -4.47 0.20 0.00 0.86 4.71 -1.26 -1.98 120.64 118.69 3i4m n GLU 795 Ca 0.09 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 3i4m n GLU 795 Cb 0.35 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 3i4m n GLU 795 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3i4m n SER 796 N -1.14 0.11 -0.91 1.62 2.88 -0.42 -4.75 113.62 111.01 3i4m n SER 796 Ca 0.05 -0.42 0.11 0.00 -1.33 0.00 0.00 58.87 57.28 3i4m n SER 796 Cb 0.05 0.41 0.11 0.00 -0.75 0.00 0.00 64.21 64.02 3i4m n SER 796 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i4m n LYS 797 N -0.41 2.10 0.00 -1.46 4.76 -0.88 -4.57 118.16 117.71 3i4m n LYS 797 Ca 0.00 -1.88 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 3i4m n LYS 797 Cb 0.03 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 3i4m n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i4m n GLY 798 N 1.26 1.97 3.54 0.72 0.00 -1.16 -1.36 105.19 110.15 3i4m n GLY 798 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3i4m n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i4m s PHE 799 N -2.00 3.22 -0.52 1.61 5.36 -0.84 0.44 117.98 125.26 3i4m s PHE 799 Ca 0.00 -0.08 -0.21 0.00 -0.96 0.00 0.00 56.93 55.68 3i4m s PHE 799 Cb 0.00 -2.60 0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3i4m s PHE 799 CO 0.00 -0.40 0.74 0.08 -1.46 0.00 0.00 175.22 174.18 3i4m s VAL 800 N 1.92 4.69 0.12 3.12 1.01 0.32 -4.72 120.40 126.86 3i4m s VAL 800 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3i4m s VAL 800 Cb -0.17 -4.38 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 3i4m s VAL 800 CO 0.11 -0.90 1.27 -0.08 0.00 0.00 0.00 175.10 175.50 3i4m h GLU 801 N 9.10 0.37 -7.28 2.72 4.81 -1.96 -2.43 114.58 119.91 3i4m h GLU 801 Ca -0.27 -0.45 -0.51 0.00 -0.13 0.00 0.00 59.36 58.00 3i4m h GLU 801 Cb 1.09 0.14 0.12 0.00 0.63 0.00 0.00 28.75 30.73 3i4m h GLU 801 CO 1.00 1.13 0.34 -0.80 -0.73 0.00 0.00 179.01 179.95 3i4m s ASN 802 N -7.10 4.70 0.25 1.04 0.01 -1.26 -4.39 114.94 108.18 3i4m s ASN 802 Ca -0.05 1.87 0.05 0.00 -0.71 0.00 0.00 52.86 54.02 3i4m s ASN 802 Cb 0.08 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 3i4m s ASN 802 CO 0.87 -1.91 0.34 -0.94 -1.51 0.00 0.00 177.10 173.96 3i4m s SER 803 N -3.17 6.16 0.59 -1.22 1.04 -1.24 -2.14 113.70 113.71 3i4m s SER 803 Ca 0.63 -0.00 0.29 0.00 0.48 0.00 0.00 55.95 57.34 3i4m s SER 803 Cb -0.18 -1.73 1.79 0.00 0.10 0.00 0.00 66.02 66.00 3i4m s SER 803 CO 0.52 -0.10 2.25 1.88 0.98 0.00 0.00 173.24 178.77 3i4m h TYR 804 N 1.19 0.00 0.00 5.02 0.99 -1.19 0.71 116.97 123.69 3i4m h TYR 804 Ca -0.51 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.14 3i4m h TYR 804 Cb 1.23 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.95 3i4m h TYR 804 CO 0.46 0.01 -0.40 1.25 -0.00 0.00 0.00 178.16 179.48 3i4m h LEU 805 N 0.00 0.00 0.00 3.88 5.85 -1.54 -3.19 115.31 120.31 3i4m h LEU 805 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 3i4m h LEU 805 Cb 0.02 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3i4m h LEU 805 CO 0.00 0.40 -2.29 0.54 -0.34 0.00 0.00 178.44 176.75 3i4m n ARG 806 N -3.99 0.71 0.00 1.25 1.74 0.47 -5.10 116.66 111.74 3i4m n ARG 806 Ca -0.02 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i4m n ARG 806 Cb 0.44 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3i4m n ARG 806 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4m n GLY 807 N 1.66 -1.60 2.93 -0.13 0.00 0.22 -4.94 105.19 103.33 3i4m n GLY 807 Ca -0.27 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 3i4m n GLY 807 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 808 N -0.73 0.00 -4.45 0.99 4.32 -1.26 -4.77 117.00 111.10 3i4m n LEU 808 Ca 0.00 -0.89 -0.26 0.00 -0.02 0.00 0.00 56.01 54.84 3i4m n LEU 808 Cb 0.00 -0.88 -0.11 0.00 -1.62 0.00 0.00 43.42 40.81 3i4m n LEU 808 CO 0.00 -2.39 -0.51 0.42 -1.22 0.00 0.00 177.39 173.69 3i4m s THR 809 N -2.33 2.46 0.41 -5.08 -4.23 -1.26 -4.88 115.64 100.73 3i4m s THR 809 Ca 0.61 -2.09 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 3i4m s THR 809 Cb -0.08 -2.21 0.47 0.00 1.34 0.00 0.00 72.50 72.02 3i4m s THR 809 CO 0.49 -0.19 1.42 -2.65 -0.54 0.00 0.00 174.62 173.15 3i4m n PRO 810 N 0.02 -0.03 -0.05 3.99 -0.02 -1.26 1.00 135.00 138.65 3i4m n PRO 810 Ca -0.11 1.12 -0.01 0.00 -2.02 0.00 0.00 63.50 62.49 3i4m n PRO 810 Cb 0.57 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3i4m n PRO 810 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3i4m h GLN 811 N 0.00 0.00 -1.00 -0.52 7.50 -1.99 -2.51 115.11 116.60 3i4m h GLN 811 Ca 0.80 0.00 0.38 0.00 0.50 0.00 0.00 58.65 60.34 3i4m h GLN 811 Cb 2.65 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 30.01 3i4m h GLN 811 CO -0.39 0.02 0.49 0.93 -1.50 0.00 0.00 178.83 178.39 3i4m h GLU 812 N -1.00 0.06 0.25 1.46 5.08 -1.07 -0.15 114.58 119.21 3i4m h GLU 812 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3i4m h GLU 812 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i4m h GLU 812 CO -0.00 0.04 -0.12 0.35 -1.00 0.00 0.00 179.01 178.28 3i4m h PHE 813 N 0.07 -0.31 -0.64 4.33 3.57 0.56 -1.66 116.94 122.85 3i4m h PHE 813 Ca 0.80 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.46 3i4m h PHE 813 Cb 2.02 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.83 3i4m h PHE 813 CO -0.06 -0.19 0.45 0.35 -2.23 0.00 0.00 178.31 176.62 3i4m h PHE 814 N -0.37 0.15 -0.02 0.41 3.57 -0.62 -0.09 116.94 119.97 3i4m h PHE 814 Ca -0.03 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3i4m h PHE 814 Cb 0.26 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3i4m h PHE 814 CO 0.15 0.05 -0.23 0.74 -2.23 0.00 0.00 178.31 176.79 3i4m h PHE 815 N 0.12 0.27 -1.00 0.41 0.05 -1.20 -2.59 116.94 113.01 3i4m h PHE 815 Ca 0.31 -0.13 0.24 0.00 3.82 0.00 0.00 57.97 62.21 3i4m h PHE 815 Cb 1.05 -0.04 -0.09 0.00 2.00 0.00 0.00 35.95 38.88 3i4m h PHE 815 CO -0.00 0.89 0.64 1.25 -0.18 0.00 0.00 178.31 180.91 3i4m h HIS 816 N -0.43 0.70 0.08 -0.55 2.76 -0.12 -0.85 115.15 116.73 3i4m h HIS 816 Ca -0.02 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3i4m h HIS 816 Cb 0.94 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.69 3i4m h HIS 816 CO 0.16 0.11 -0.04 0.00 -1.30 0.00 0.00 177.93 176.86 3i4m h ALA 817 N 1.62 -0.99 -0.99 5.26 0.00 -0.95 0.98 119.26 124.20 3i4m h ALA 817 Ca 0.56 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.86 3i4m h ALA 817 Cb 1.32 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 3i4m h ALA 817 CO -0.28 -0.98 0.53 -1.33 0.00 0.00 0.00 179.25 177.19 3i4m n MET 818 N -2.31 -0.06 -0.07 0.00 2.00 -0.74 0.25 117.12 116.19 3i4m n MET 818 Ca -0.01 1.36 -0.11 0.00 0.00 0.00 0.00 57.70 58.93 3i4m n MET 818 Cb 0.04 -2.45 -0.05 0.00 0.00 0.00 0.00 33.22 30.77 3i4m n MET 818 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3i4m h GLY 819 N 0.00 0.41 1.00 3.03 0.00 -0.96 -3.10 103.07 103.45 3i4m h GLY 819 Ca 0.84 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3i4m h GLY 819 CO -0.76 0.28 -0.30 -1.33 0.00 0.00 0.00 176.54 174.43 3i4m h GLY 820 N 0.14 -0.89 -1.68 4.60 0.00 0.60 -2.38 103.07 103.45 3i4m h GLY 820 Ca 0.06 0.33 0.53 0.00 0.00 0.00 0.00 47.33 48.25 3i4m h GLY 820 CO 0.01 -0.32 1.31 -0.09 0.00 0.00 0.00 176.54 177.45 3i4m h ARG 821 N -0.86 0.00 -0.46 4.80 9.65 -0.24 1.21 114.38 128.48 3i4m h ARG 821 Ca -0.09 -0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.67 3i4m h ARG 821 Cb 0.66 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 3i4m h ARG 821 CO 0.14 0.00 -0.19 1.49 2.80 0.00 0.00 179.97 184.22 3i4m h GLU 822 N 0.00 0.92 0.00 0.20 4.81 -1.35 -1.66 114.58 117.51 3i4m h GLU 822 Ca 0.88 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3i4m h GLU 822 Cb 3.49 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 32.83 3i4m h GLU 822 CO -0.03 1.03 0.00 0.41 -0.73 0.00 0.00 179.01 179.68 3i4m n GLY 823 N -0.21 -2.81 0.34 1.92 0.00 0.42 -2.25 105.19 102.60 3i4m n GLY 823 Ca 0.01 0.13 0.32 0.00 0.00 0.00 0.00 46.02 46.48 3i4m n GLY 823 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 824 N -1.50 0.26 0.24 0.99 4.77 -1.19 -1.32 117.00 119.26 3i4m n LEU 824 Ca 0.00 1.39 -0.14 0.00 -0.03 0.00 0.00 56.01 57.23 3i4m n LEU 824 Cb 0.00 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 3i4m n LEU 824 CO 0.00 -1.54 0.52 -0.29 -1.33 0.00 0.00 177.39 174.75 3i4m h ILE 825 N 0.00 0.00 -0.01 -0.08 6.09 -0.84 -2.04 117.51 120.63 3i4m h ILE 825 Ca 0.77 0.00 -0.17 0.00 -1.37 0.00 0.00 64.86 64.09 3i4m h ILE 825 Cb 2.22 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 3i4m h ILE 825 CO -0.58 0.00 -0.76 -2.24 -3.07 0.00 0.00 178.15 171.50 3i4m h ASP 826 N -0.79 0.15 -0.77 2.19 3.04 -0.99 -2.32 116.42 116.94 3i4m h ASP 826 Ca -0.05 -0.11 0.22 0.00 -3.24 0.00 0.00 57.03 53.85 3i4m h ASP 826 Cb 0.68 -0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 38.89 3i4m h ASP 826 CO -0.03 0.86 0.71 0.74 -2.04 0.00 0.00 179.24 179.48 3i4m h THR 827 N 0.08 0.32 -0.00 1.15 2.02 -1.07 3.35 112.91 118.75 3i4m h THR 827 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3i4m h THR 827 Cb 1.34 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3i4m h THR 827 CO 0.11 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.84 3i4m n ALA 828 N -2.46 2.83 0.00 6.16 0.00 -0.78 -3.70 120.51 122.56 3i4m n ALA 828 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i4m n ALA 828 Cb 0.98 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3i4m n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i4m n VAL 829 N -1.09 0.00 0.00 0.00 0.31 0.83 -4.32 118.33 114.06 3i4m n VAL 829 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3i4m n VAL 829 Cb 0.30 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3i4m n VAL 829 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i4m n LYS 830 N -2.49 0.00 -0.05 5.55 3.00 0.93 0.48 118.16 125.57 3i4m n LYS 830 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 3i4m n LYS 830 Cb 0.38 -1.34 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 3i4m n LYS 830 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3i4m n THR 831 N -0.79 0.56 0.32 3.15 5.66 -1.24 -4.26 114.28 117.67 3i4m n THR 831 Ca 0.00 -0.19 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 3i4m n THR 831 Cb 0.00 -1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 67.66 3i4m n THR 831 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i4m h ALA 832 N -0.10 -1.00 -0.90 1.79 0.00 -0.17 -0.75 119.26 118.12 3i4m h ALA 832 Ca -0.23 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.67 3i4m h ALA 832 Cb 1.31 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 3i4m h ALA 832 CO -0.07 -0.94 0.58 1.49 0.00 0.00 0.00 179.25 180.31 3i4m h GLU 833 N -0.99 0.60 0.43 0.00 4.81 -1.55 -0.88 114.58 116.99 3i4m h GLU 833 Ca -0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3i4m h GLU 833 Cb 0.63 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3i4m h GLU 833 CO 0.14 0.39 -0.27 1.15 -0.73 0.00 0.00 179.01 179.69 3i4m h THR 834 N 0.61 0.00 -0.78 0.32 2.02 -1.68 0.14 112.91 113.53 3i4m h THR 834 Ca 0.47 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.83 3i4m h THR 834 Cb 0.87 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.16 3i4m h THR 834 CO -0.22 0.00 0.19 1.23 0.37 0.00 0.00 175.52 177.09 3i4m h GLY 835 N -0.66 1.12 0.06 2.16 0.00 -0.35 0.23 103.07 105.62 3i4m h GLY 835 Ca -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3i4m h GLY 835 CO 0.05 -0.25 -0.04 -1.82 0.00 0.00 0.00 176.54 174.48 3i4m h TYR 836 N 0.25 -0.12 -0.81 5.60 3.20 -0.97 -2.21 116.97 121.90 3i4m h TYR 836 Ca 0.46 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.58 3i4m h TYR 836 Cb 0.83 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.99 3i4m h TYR 836 CO -0.27 -0.06 0.12 -0.89 -1.64 0.00 0.00 178.16 175.41 3i4m n ILE 837 N -2.48 -0.34 0.07 1.81 5.41 0.46 -0.13 119.36 124.16 3i4m n ILE 837 Ca -0.01 1.76 -0.11 0.00 1.00 0.00 0.00 62.75 65.38 3i4m n ILE 837 Cb 0.04 -2.63 -0.05 0.00 -0.71 0.00 0.00 39.64 36.29 3i4m n ILE 837 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3i4m h GLN 838 N 0.00 -0.33 -0.40 0.38 -0.00 -0.05 -1.99 115.11 112.71 3i4m h GLN 838 Ca 0.54 0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 59.13 3i4m h GLN 838 Cb 1.21 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.75 3i4m h GLN 838 CO -0.73 -0.22 -0.07 0.07 0.00 0.00 0.00 178.83 177.88 3i4m h ARG 839 N -0.35 0.76 -0.71 1.69 0.11 0.05 -2.40 114.38 113.53 3i4m h ARG 839 Ca 0.05 -0.28 0.16 0.00 0.10 0.00 0.00 59.98 60.01 3i4m h ARG 839 Cb 0.41 -0.05 -0.12 0.00 1.11 0.00 0.00 29.97 31.32 3i4m h ARG 839 CO -0.17 0.88 0.05 0.00 0.10 0.00 0.00 179.97 180.82 3i4m h ARG 840 N 0.58 0.14 0.70 0.08 3.08 -1.14 0.72 114.38 118.54 3i4m h ARG 840 Ca 0.11 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3i4m h ARG 840 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3i4m h ARG 840 CO 0.03 0.09 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.49 3i4m h LEU 841 N 0.15 -1.21 -0.19 3.04 3.38 -1.08 -1.13 115.31 118.27 3i4m h LEU 841 Ca 0.39 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.49 3i4m h LEU 841 Cb 0.67 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 3i4m h LEU 841 CO -0.59 -0.70 -0.31 0.58 0.09 0.00 0.00 178.44 177.52 3i4m h VAL 842 N -1.11 0.30 0.00 1.22 2.07 -0.61 0.14 116.25 118.26 3i4m h VAL 842 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3i4m h VAL 842 Cb 0.91 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i4m h VAL 842 CO 0.06 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.76 3i4m h LYS 843 N -0.35 0.00 0.00 1.57 1.79 0.43 0.35 116.57 120.36 3i4m h LYS 843 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3i4m h LYS 843 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3i4m h LYS 843 CO -0.38 0.00 -0.91 0.00 -1.08 0.00 0.00 179.45 177.08 3i4m n ALA 844 N -1.86 2.97 0.00 3.86 0.00 0.38 -4.36 120.51 121.50 3i4m n ALA 844 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3i4m n ALA 844 Cb 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i4m n ALA 844 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i4m n LEU 845 N -2.22 0.00 0.00 0.00 4.77 -0.42 -4.94 117.00 114.20 3i4m n LEU 845 Ca 0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3i4m n LEU 845 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i4m n LEU 845 CO 0.39 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.83 3i4m n GLU 846 N -1.06 0.00 -0.07 3.23 1.02 0.11 -0.15 120.64 123.72 3i4m n GLU 846 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i4m n GLU 846 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i4m n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i4m n ASP 847 N -0.19 1.63 -4.22 1.62 5.75 -1.26 -3.58 116.55 116.30 3i4m n ASP 847 Ca 0.00 -1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 53.25 3i4m n ASP 847 Cb 0.00 -0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 39.70 3i4m n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i4m s ILE 848 N 0.77 4.34 0.34 2.12 1.01 0.79 -3.56 121.20 127.01 3i4m s ILE 848 Ca 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 60.65 58.96 3i4m s ILE 848 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3i4m s ILE 848 CO 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 174.94 174.17 3i4m s MET 849 N 1.39 1.71 -0.46 2.79 0.23 -0.99 0.18 119.30 124.15 3i4m s MET 849 Ca 0.05 -1.94 -0.21 0.00 -1.03 0.00 0.00 55.69 52.57 3i4m s MET 849 Cb -0.27 -1.15 0.03 0.00 -1.53 0.00 0.00 34.83 31.91 3i4m s MET 849 CO -0.00 -0.09 0.68 0.08 -2.03 0.00 0.00 175.02 173.66 3i4m s VAL 850 N -3.06 4.78 0.72 5.16 1.01 -1.03 -1.73 120.40 126.25 3i4m s VAL 850 Ca 0.34 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3i4m s VAL 850 Cb 0.08 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3i4m s VAL 850 CO 0.15 -0.70 1.08 -1.00 0.00 0.00 0.00 175.10 174.63 3i4m s HIS 851 N 2.94 3.14 -1.25 5.22 3.76 -0.45 -2.51 115.29 126.13 3i4m s HIS 851 Ca 0.22 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 3i4m s HIS 851 Cb -0.15 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.56 3i4m s HIS 851 CO 0.18 -1.32 0.19 0.66 -0.85 0.00 0.00 174.74 173.60 3i4m n TYR 852 N -3.15 0.00 0.21 1.40 0.53 -1.26 0.95 117.16 115.83 3i4m n TYR 852 Ca 0.07 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.97 3i4m n TYR 852 Cb 0.55 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.88 3i4m n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3i4m n ASP 853 N -0.62 1.32 0.00 7.72 5.68 -1.26 -4.98 116.55 124.41 3i4m n ASP 853 Ca 0.00 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 3i4m n ASP 853 Cb 0.00 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3i4m n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3i4m n ASN 854 N 0.17 -1.40 -4.89 -1.12 3.02 0.27 -4.95 115.26 106.36 3i4m n ASN 854 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.28 3i4m n ASN 854 Cb 0.12 -0.23 0.06 0.00 -0.61 0.00 0.00 39.78 39.12 3i4m n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3i4m s THR 855 N -2.63 3.05 -0.22 3.41 -1.32 -1.24 -3.26 115.64 113.44 3i4m s THR 855 Ca 0.00 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 3i4m s THR 855 Cb 0.00 -3.33 0.05 0.00 -1.51 0.00 0.00 72.50 67.71 3i4m s THR 855 CO 0.00 -0.45 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.02 3i4m s THR 856 N -3.42 1.37 0.00 5.08 2.01 -0.28 -1.34 115.64 119.05 3i4m s THR 856 Ca 0.59 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3i4m s THR 856 Cb -0.11 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.78 3i4m s THR 856 CO 0.51 -0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.94 3i4m n ARG 857 N 4.75 1.42 -3.78 4.92 1.74 -0.70 -0.31 116.66 124.70 3i4m n ARG 857 Ca -0.12 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 3i4m n ARG 857 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.84 3i4m n ARG 857 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i4m n ASN 858 N -0.10 -0.76 0.16 0.55 2.04 -1.20 -2.35 115.26 113.60 3i4m n ASN 858 Ca 0.00 -2.75 0.07 0.00 -0.44 0.00 0.00 54.58 51.45 3i4m n ASN 858 Cb 0.00 1.62 0.35 0.00 -2.53 0.00 0.00 39.78 39.22 3i4m n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3i4m n SER 859 N -1.85 0.33 0.04 0.53 3.41 -1.26 0.18 113.62 115.01 3i4m n SER 859 Ca 0.05 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3i4m n SER 859 Cb 0.50 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 3i4m n SER 859 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i4m n LEU 860 N -2.04 0.64 0.00 1.04 4.77 -1.26 -4.81 117.00 115.34 3i4m n LEU 860 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i4m n LEU 860 Cb 0.32 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i4m n LEU 860 CO 0.06 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3i4m n GLY 861 N 1.37 0.68 3.74 -0.72 0.00 0.47 -4.97 105.19 105.77 3i4m n GLY 861 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3i4m n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i4m s ASN 862 N -2.45 6.84 0.54 1.61 -0.87 -1.26 -4.79 114.94 114.57 3i4m s ASN 862 Ca 0.00 2.48 -0.19 0.00 -1.57 0.00 0.00 52.86 53.58 3i4m s ASN 862 Cb 0.00 -2.62 -0.06 0.00 -0.02 0.00 0.00 41.25 38.55 3i4m s ASN 862 CO 0.00 -0.55 1.08 -0.69 -2.57 0.00 0.00 177.10 174.36 3i4m s VAL 863 N -0.07 3.56 0.00 1.60 1.01 -1.26 -3.21 120.40 122.02 3i4m s VAL 863 Ca 0.56 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3i4m s VAL 863 Cb -0.38 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3i4m s VAL 863 CO 0.41 -0.27 0.00 -0.38 0.00 0.00 0.00 175.10 174.86 3i4m n ILE 864 N -1.36 0.00 -3.36 2.22 5.41 0.58 -4.96 119.36 117.89 3i4m n ILE 864 Ca 0.10 -0.04 0.02 0.00 1.00 0.00 0.00 62.75 63.83 3i4m n ILE 864 Cb 0.52 1.08 -0.04 0.00 -0.71 0.00 0.00 39.64 40.48 3i4m n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3i4m s GLN 865 N -0.07 0.21 0.24 0.38 -0.21 -1.20 -4.69 119.66 114.32 3i4m s GLN 865 Ca 0.00 0.52 -0.04 0.00 0.02 0.00 0.00 55.36 55.86 3i4m s GLN 865 Cb 0.00 0.29 0.28 0.00 1.00 0.00 0.00 33.01 34.58 3i4m s GLN 865 CO 0.00 -0.07 1.75 0.74 -2.12 0.00 0.00 175.29 175.59 3i4m h PHE 866 N 7.21 0.94 -3.16 0.91 0.05 -1.88 -0.73 116.94 120.28 3i4m h PHE 866 Ca -0.16 -0.12 -0.50 0.00 3.82 0.00 0.00 57.97 61.01 3i4m h PHE 866 Cb 1.12 -0.26 -0.40 0.00 2.00 0.00 0.00 35.95 38.41 3i4m h PHE 866 CO 0.20 0.83 -0.76 0.42 -0.18 0.00 0.00 178.31 178.83 3i4m s ILE 867 N -5.09 0.27 -0.14 -0.55 1.09 -1.25 -3.59 121.20 111.94 3i4m s ILE 867 Ca -0.10 -0.45 -0.39 0.00 -1.10 0.00 0.00 60.65 58.61 3i4m s ILE 867 Cb 0.15 -0.88 -0.18 0.00 -1.06 0.00 0.00 42.46 40.49 3i4m s ILE 867 CO 0.82 -0.28 1.14 0.00 -0.10 0.00 0.00 174.94 176.52 3i4m n TYR 868 N 5.14 0.91 -0.96 3.97 9.36 -1.20 0.85 117.16 135.23 3i4m n TYR 868 Ca -0.08 1.00 0.00 0.00 3.32 0.00 0.00 57.90 62.15 3i4m n TYR 868 Cb 0.47 -1.97 0.00 0.00 -0.63 0.00 0.00 39.34 37.21 3i4m n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i4m n GLY 869 N 2.10 0.22 3.23 2.98 0.00 -1.26 -1.02 105.19 111.44 3i4m n GLY 869 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 3i4m n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 870 N -0.72 -6.45 0.00 1.61 1.02 0.25 -4.77 120.64 111.58 3i4m n GLU 870 Ca 0.00 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 3i4m n GLU 870 Cb 0.27 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 3i4m n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i4m n ASP 871 N -2.34 0.00 -1.67 1.62 5.75 -0.94 -4.85 116.55 114.12 3i4m n ASP 871 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.73 3i4m n ASP 871 Cb 0.56 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 3i4m n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i4m n GLY 872 N 0.00 -0.21 3.77 6.12 0.00 -0.19 -4.87 105.19 109.81 3i4m n GLY 872 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3i4m n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i4m s MET 873 N -2.50 3.03 -0.32 1.61 0.00 -1.25 0.12 119.30 119.98 3i4m s MET 873 Ca 0.07 -0.50 -0.23 0.00 0.00 0.00 0.00 55.69 55.03 3i4m s MET 873 Cb -0.04 -2.84 0.00 0.00 0.00 0.00 0.00 34.83 31.95 3i4m s MET 873 CO 0.09 0.64 0.76 0.34 0.00 0.00 0.00 175.02 176.85 3i4m s ASP 874 N -1.74 6.60 0.60 1.11 -1.08 -0.29 -4.57 116.67 117.30 3i4m s ASP 874 Ca 0.23 0.54 0.28 0.00 -0.52 0.00 0.00 52.55 53.08 3i4m s ASP 874 Cb -0.12 -2.39 0.98 0.00 -1.46 0.00 0.00 42.92 39.93 3i4m s ASP 874 CO 0.14 -0.62 1.33 0.00 0.52 0.00 0.00 175.17 176.54 3i4m h ALA 875 N 8.22 3.03 -0.74 3.66 0.00 -1.88 -0.66 119.26 130.89 3i4m h ALA 875 Ca -0.25 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3i4m h ALA 875 Cb 1.10 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3i4m h ALA 875 CO 0.87 -1.79 0.49 0.00 0.00 0.00 0.00 179.25 178.82 3i4m h ALA 876 N 0.57 1.63 -2.38 0.00 0.00 -1.87 -3.29 119.26 113.92 3i4m h ALA 876 Ca 0.52 -0.03 -0.79 0.00 0.00 0.00 0.00 54.91 54.61 3i4m h ALA 876 Cb 2.96 -0.23 -0.29 0.00 0.00 0.00 0.00 17.79 20.24 3i4m h ALA 876 CO -0.01 0.28 0.50 0.72 0.00 0.00 0.00 179.25 180.74 3i4m n HIS 877 N -4.47 4.29 -3.64 0.00 8.25 -0.25 -4.79 115.22 114.61 3i4m n HIS 877 Ca 0.10 -3.54 -0.15 0.00 -0.26 0.00 0.00 57.72 53.87 3i4m n HIS 877 Cb 0.17 -1.52 -0.08 0.00 1.12 0.00 0.00 29.99 29.69 3i4m n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i4m s ILE 878 N -1.77 0.01 0.04 1.59 1.01 -1.24 -4.18 121.20 116.65 3i4m s ILE 878 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 3i4m s ILE 878 Cb -0.05 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3i4m s ILE 878 CO -0.03 -0.03 0.11 -1.61 0.00 0.00 0.00 174.94 173.39 3i4m s GLU 879 N -0.24 0.60 -1.02 2.79 2.02 -1.20 -4.75 118.70 116.90 3i4m s GLU 879 Ca -0.04 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 53.97 3i4m s GLU 879 Cb -0.03 0.24 -0.11 0.00 0.10 0.00 0.00 34.13 34.32 3i4m s GLU 879 CO 0.04 -0.15 2.05 0.15 0.02 0.00 0.00 175.26 177.36 3i4m s LYS 880 N -2.57 2.09 0.95 1.61 1.02 -1.25 -2.10 119.74 119.49 3i4m s LYS 880 Ca -0.05 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.29 3i4m s LYS 880 Cb -0.01 -5.06 0.17 0.00 -0.52 0.00 0.00 37.83 32.40 3i4m s LYS 880 CO -0.04 -4.20 1.21 -0.65 -0.92 0.00 0.00 175.35 170.74 3i4m s GLN 881 N 7.42 0.79 -0.14 1.68 -1.52 0.36 -4.70 119.66 123.55 3i4m s GLN 881 Ca 0.75 -0.06 -0.00 0.00 -1.95 0.00 0.00 55.36 54.11 3i4m s GLN 881 Cb -0.05 -1.83 0.03 0.00 -0.22 0.00 0.00 33.01 30.94 3i4m s GLN 881 CO 0.09 -2.37 -0.09 0.45 -0.25 0.00 0.00 175.29 173.13 3i4m s SER 882 N -4.44 2.60 -1.28 5.90 0.15 -1.26 -1.95 113.70 113.41 3i4m s SER 882 Ca 0.68 -0.50 -0.09 0.00 0.70 0.00 0.00 55.95 56.74 3i4m s SER 882 Cb -0.09 -0.98 0.16 0.00 -1.71 0.00 0.00 66.02 63.40 3i4m s SER 882 CO 0.53 -0.12 1.93 0.18 1.20 0.00 0.00 173.24 176.95 3i4m n LEU 883 N 4.86 6.81 -0.23 3.45 4.77 -0.60 -4.87 117.00 131.19 3i4m n LEU 883 Ca -0.14 -4.68 0.04 0.00 -0.03 0.00 0.00 56.01 51.20 3i4m n LEU 883 Cb 0.49 -1.46 0.09 0.00 -2.33 0.00 0.00 43.42 40.20 3i4m n LEU 883 CO 0.18 1.46 0.42 0.47 -1.33 0.00 0.00 177.39 178.59 3i4m n ASP 884 N 3.60 -0.23 -0.18 -1.43 8.00 -1.26 -1.67 116.55 123.38 3i4m n ASP 884 Ca 0.42 1.09 0.00 0.00 0.71 0.00 0.00 54.79 57.01 3i4m n ASP 884 Cb 0.35 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3i4m n ASP 884 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i4m n THR 885 N -5.03 0.00 0.00 -3.53 -1.04 -1.26 -2.67 114.28 100.75 3i4m n THR 885 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3i4m n THR 885 Cb 0.31 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 3i4m n THR 885 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n ILE 886 N -0.08 0.00 -0.06 12.58 3.06 -0.67 -3.89 119.36 130.30 3i4m n ILE 886 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3i4m n ILE 886 Cb 0.00 -1.28 0.00 0.00 0.54 0.00 0.00 39.64 38.90 3i4m n ILE 886 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i4m n GLY 887 N 3.08 0.97 1.41 4.50 0.00 -1.09 -4.90 105.19 109.17 3i4m n GLY 887 Ca 0.00 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3i4m n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 888 N 5.00 -3.52 3.78 -0.02 0.00 -1.26 -4.88 105.19 104.29 3i4m n GLY 888 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3i4m n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4m s SER 889 N -6.75 5.85 0.48 1.61 1.04 -1.26 -3.63 113.70 111.03 3i4m s SER 889 Ca 0.00 2.15 0.21 0.00 0.48 0.00 0.00 55.95 58.79 3i4m s SER 889 Cb 0.00 -2.58 1.24 0.00 0.10 0.00 0.00 66.02 64.78 3i4m s SER 889 CO 0.00 -1.13 1.95 0.44 0.98 0.00 0.00 173.24 175.48 3i4m h ASP 890 N 1.32 0.19 0.00 7.02 3.32 -1.76 -2.52 116.42 123.99 3i4m h ASP 890 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3i4m h ASP 890 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3i4m h ASP 890 CO 0.57 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 3i4m n ALA 891 N -2.59 -0.07 -0.24 3.45 0.00 -1.26 -3.33 120.51 116.47 3i4m n ALA 891 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.75 3i4m n ALA 891 Cb 0.61 0.03 0.33 0.00 0.00 0.00 0.00 19.45 20.42 3i4m n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n ALA 892 N -0.78 0.57 -0.28 0.00 0.00 -1.03 -0.47 120.51 118.52 3i4m n ALA 892 Ca 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 53.44 54.14 3i4m n ALA 892 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3i4m n ALA 892 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i4m h PHE 893 N 0.00 -1.10 0.34 0.00 3.57 -1.46 -1.07 116.94 117.23 3i4m h PHE 893 Ca 0.53 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 62.11 3i4m h PHE 893 Cb 1.29 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 40.59 3i4m h PHE 893 CO -0.16 -0.40 -0.49 0.93 -2.23 0.00 0.00 178.31 175.96 3i4m h GLU 894 N -0.11 -0.84 0.00 1.11 5.08 -0.87 0.17 114.58 119.12 3i4m h GLU 894 Ca 0.26 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3i4m h GLU 894 Cb 0.56 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3i4m h GLU 894 CO -0.81 -0.56 0.58 -0.22 -1.00 0.00 0.00 179.01 177.00 3i4m h LYS 895 N -0.87 0.00 0.00 2.33 3.64 -1.28 0.44 116.57 120.83 3i4m h LYS 895 Ca -0.04 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3i4m h LYS 895 Cb 0.79 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3i4m h LYS 895 CO -0.14 0.00 -1.48 -2.13 -2.27 0.00 0.00 179.45 173.43 3i4m n ARG 896 N -2.05 0.84 -0.00 1.90 0.63 -0.59 -4.80 116.66 112.58 3i4m n ARG 896 Ca -0.00 0.04 0.08 0.00 -0.92 0.00 0.00 57.85 57.04 3i4m n ARG 896 Cb 0.59 -1.17 -0.11 0.00 0.45 0.00 0.00 32.46 32.22 3i4m n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i4m n TYR 897 N -2.63 0.00 -2.43 -0.14 4.02 -0.06 -4.05 117.16 111.87 3i4m n TYR 897 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 3i4m n TYR 897 Cb 0.67 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.72 3i4m n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3i4m s ARG 898 N -2.90 4.44 -0.14 -0.72 6.06 0.08 -4.65 118.95 121.11 3i4m s ARG 898 Ca -0.02 1.76 -0.03 0.00 -2.50 0.00 0.00 55.73 54.94 3i4m s ARG 898 Cb 0.11 -3.35 0.05 0.00 0.06 0.00 0.00 34.95 31.82 3i4m s ARG 898 CO 0.66 -0.25 0.05 0.08 -2.50 0.00 0.00 175.30 173.34 3i4m s VAL 899 N 1.06 0.23 -0.23 7.11 1.01 -1.26 -4.92 120.40 123.40 3i4m s VAL 899 Ca 0.58 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3i4m s VAL 899 Cb -0.29 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.46 3i4m s VAL 899 CO 0.29 -0.08 -0.12 -0.62 0.00 0.00 0.00 175.10 174.57 3i4m s ASP 900 N 2.01 3.87 0.34 3.32 -1.08 0.34 -4.82 116.67 120.64 3i4m s ASP 900 Ca 0.02 -1.10 0.20 0.00 -0.52 0.00 0.00 52.55 51.15 3i4m s ASP 900 Cb -0.15 -1.43 0.18 0.00 -1.46 0.00 0.00 42.92 40.06 3i4m s ASP 900 CO -0.07 -0.14 1.44 -0.07 0.52 0.00 0.00 175.17 176.85 3i4m h LEU 901 N 7.87 0.00 -4.30 -1.34 3.38 -1.93 -1.43 115.31 117.56 3i4m h LEU 901 Ca -0.27 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.31 3i4m h LEU 901 Cb 1.08 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 3i4m h LEU 901 CO 0.50 0.20 0.17 0.18 0.09 0.00 0.00 178.44 179.57 3i4m n LEU 902 N -3.08 6.11 -3.65 1.67 4.77 -1.26 0.29 117.00 121.85 3i4m n LEU 902 Ca 0.02 -3.75 -0.01 0.00 -0.03 0.00 0.00 56.01 52.24 3i4m n LEU 902 Cb 0.62 -1.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 3i4m n LEU 902 CO 0.37 1.68 0.95 0.21 -1.33 0.00 0.00 177.39 179.28 3i4m s ASN 903 N 0.83 -0.19 0.43 -1.43 3.04 -1.24 -4.97 114.94 111.41 3i4m s ASN 903 Ca 0.59 0.33 0.13 0.00 0.04 0.00 0.00 52.86 53.95 3i4m s ASN 903 Cb 0.35 0.79 0.94 0.00 -1.54 0.00 0.00 41.25 41.79 3i4m s ASN 903 CO -0.15 -0.05 1.96 0.74 -3.04 0.00 0.00 177.10 176.56 3i4m h THR 904 N 4.31 1.15 0.00 -5.21 2.02 -1.87 -2.63 112.91 110.68 3i4m h THR 904 Ca -0.27 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.04 3i4m h THR 904 Cb 1.18 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3i4m h THR 904 CO 0.20 0.21 -2.01 0.47 0.37 0.00 0.00 175.52 174.76 3i4m n ASP 905 N -4.29 0.16 -1.20 4.18 8.00 -1.26 -4.42 116.55 117.71 3i4m n ASP 905 Ca -0.02 0.07 0.08 0.00 0.71 0.00 0.00 54.79 55.62 3i4m n ASP 905 Cb 0.27 1.34 0.29 0.00 -0.02 0.00 0.00 41.12 43.00 3i4m n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i4m n HIS 906 N -2.53 1.20 -2.77 1.24 8.25 -1.21 -4.97 115.22 114.43 3i4m n HIS 906 Ca -0.14 -0.72 -0.19 0.00 -0.26 0.00 0.00 57.72 56.41 3i4m n HIS 906 Cb 0.80 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 31.71 3i4m n HIS 906 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3i4m n THR 907 N 0.28 0.00 -3.18 1.59 5.66 -0.54 0.13 114.28 118.21 3i4m n THR 907 Ca 0.22 -1.50 -0.42 0.00 -3.05 0.00 0.00 64.05 59.30 3i4m n THR 907 Cb 0.87 -0.79 -0.07 0.00 -1.55 0.00 0.00 70.33 68.78 3i4m n THR 907 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i4m s LEU 908 N 0.00 4.33 -0.06 1.09 1.43 -1.26 -4.86 118.68 119.36 3i4m s LEU 908 Ca 0.55 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 3i4m s LEU 908 Cb -0.04 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 3i4m s LEU 908 CO 0.36 -0.55 2.05 -0.62 0.23 0.00 0.00 176.35 177.82 3i4m s ASP 909 N 1.79 6.10 0.00 2.29 -1.08 -1.26 -4.73 116.67 119.77 3i4m s ASP 909 Ca 0.21 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.62 3i4m s ASP 909 Cb -0.15 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 3i4m s ASP 909 CO 0.14 -1.38 0.00 -0.81 0.52 0.00 0.00 175.17 173.64 3i4m n PRO 910 N 7.97 0.00 0.04 4.34 -0.04 -1.26 -1.34 135.00 144.70 3i4m n PRO 910 Ca 0.23 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3i4m n PRO 910 Cb 0.43 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 32.89 3i4m n PRO 910 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i4m n SER 911 N 0.47 0.45 -0.09 3.54 3.41 -1.26 -4.20 113.62 115.94 3i4m n SER 911 Ca 0.00 0.02 -0.23 0.00 -0.26 0.00 0.00 58.87 58.40 3i4m n SER 911 Cb 0.00 1.19 -0.12 0.00 -0.26 0.00 0.00 64.21 65.02 3i4m n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i4m n LEU 912 N -2.30 2.10 -4.97 1.04 4.77 -0.45 -3.56 117.00 113.63 3i4m n LEU 912 Ca -0.01 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 3i4m n LEU 912 Cb 0.52 -0.97 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3i4m n LEU 912 CO 0.43 0.49 0.10 -0.22 -1.33 0.00 0.00 177.39 176.85 3i4m s LEU 913 N -7.56 3.61 -0.23 2.23 2.96 -1.26 0.21 118.68 118.64 3i4m s LEU 913 Ca -0.30 -0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 52.96 3i4m s LEU 913 Cb 0.08 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 44.17 3i4m s LEU 913 CO 0.61 -0.70 -0.29 1.21 -1.32 0.00 0.00 176.35 175.86 3i4m n GLU 914 N -1.75 0.56 0.00 1.98 2.13 -1.22 -4.21 120.64 118.12 3i4m n GLU 914 Ca 0.06 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3i4m n GLU 914 Cb 0.60 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3i4m n GLU 914 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3i4m n SER 915 N -4.37 0.17 0.00 4.31 3.41 -1.26 -4.40 113.62 111.48 3i4m n SER 915 Ca -0.34 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3i4m n SER 915 Cb 0.69 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3i4m n SER 915 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4m n GLY 916 N 0.16 -3.22 0.29 5.00 0.00 -1.26 -2.30 105.19 103.85 3i4m n GLY 916 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.62 3i4m n GLY 916 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i4m h SER 917 N 0.00 -0.08 0.00 1.61 4.64 -1.85 0.73 113.55 118.60 3i4m h SER 917 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3i4m h SER 917 Cb 0.00 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3i4m h SER 917 CO 0.00 -0.11 0.00 -1.84 -0.87 0.00 0.00 176.83 174.01 3i4m n GLU 918 N -5.23 0.81 -0.07 4.77 0.28 -1.10 -2.96 120.64 117.15 3i4m n GLU 918 Ca 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.09 3i4m n GLU 918 Cb 0.54 -1.07 -0.10 0.00 1.43 0.00 0.00 31.44 32.24 3i4m n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3i4m n ILE 919 N -0.57 0.93 -1.48 3.84 5.41 0.24 -4.90 119.36 122.82 3i4m n ILE 919 Ca 0.03 -0.51 -0.58 0.00 1.00 0.00 0.00 62.75 62.69 3i4m n ILE 919 Cb 0.01 -0.77 -0.08 0.00 -0.71 0.00 0.00 39.64 38.09 3i4m n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i4m n LEU 920 N -2.63 0.95 0.00 1.39 0.00 -1.15 0.80 117.00 116.37 3i4m n LEU 920 Ca -0.24 1.02 0.00 0.00 0.00 0.00 0.00 56.01 56.79 3i4m n LEU 920 Cb 0.90 -0.76 0.00 0.00 0.00 0.00 0.00 43.42 43.57 3i4m n LEU 920 CO 0.25 -0.80 0.00 0.61 0.00 0.00 0.00 177.39 177.46 3i4m n GLY 921 N 3.25 2.98 3.49 -3.96 0.00 0.15 -4.96 105.19 106.13 3i4m n GLY 921 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 3i4m n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4m n ASP 922 N 0.00 1.60 0.07 1.61 -0.08 0.24 -4.74 116.55 115.25 3i4m n ASP 922 Ca 0.00 0.05 0.11 0.00 -1.51 0.00 0.00 54.79 53.43 3i4m n ASP 922 Cb 0.00 -1.26 0.43 0.00 2.34 0.00 0.00 41.12 42.63 3i4m n ASP 922 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3i4m n LEU 923 N 11.98 0.39 0.07 -2.67 0.00 -1.26 -2.49 117.00 123.01 3i4m n LEU 923 Ca 0.48 0.58 -0.21 0.00 0.00 0.00 0.00 56.01 56.85 3i4m n LEU 923 Cb 0.27 -0.51 -0.12 0.00 0.00 0.00 0.00 43.42 43.05 3i4m n LEU 923 CO 0.80 -0.35 0.00 0.11 0.00 0.00 0.00 177.39 177.95 3i4m h LYS 924 N 0.00 0.60 0.00 1.96 1.79 -1.98 -3.25 116.57 115.69 3i4m h LYS 924 Ca 0.00 -0.76 -0.14 0.00 -2.18 0.00 0.00 60.65 57.57 3i4m h LYS 924 Cb 0.38 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 3i4m h LYS 924 CO 0.00 1.33 -0.66 -0.07 -1.08 0.00 0.00 179.45 178.97 3i4m h LEU 925 N 0.21 0.00 0.00 2.94 3.38 -1.91 -2.57 115.31 117.36 3i4m h LEU 925 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3i4m h LEU 925 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3i4m h LEU 925 CO 0.21 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3i4m n GLN 926 N -3.64 0.38 -0.08 1.13 1.13 -1.04 0.36 117.38 115.62 3i4m n GLN 926 Ca -0.01 0.07 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 3i4m n GLN 926 Cb 0.68 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 3i4m n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i4m h VAL 927 N 0.00 0.88 0.45 5.09 2.07 -1.49 -2.57 116.25 120.68 3i4m h VAL 927 Ca 0.00 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 3i4m h VAL 927 Cb 0.12 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3i4m h VAL 927 CO 0.00 0.30 -0.22 -0.07 0.02 0.00 0.00 177.57 177.60 3i4m h LEU 928 N -1.00 -0.51 -1.85 2.57 3.38 -1.49 0.11 115.31 116.51 3i4m h LEU 928 Ca -0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i4m h LEU 928 Cb 0.79 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3i4m h LEU 928 CO -0.06 -0.31 0.42 0.25 0.09 0.00 0.00 178.44 178.83 3i4m h LEU 929 N -0.68 0.00 0.06 1.67 7.12 -0.26 0.15 115.31 123.37 3i4m h LEU 929 Ca -0.06 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.68 3i4m h LEU 929 Cb 0.50 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 3i4m h LEU 929 CO 0.10 0.00 -1.44 0.44 -0.13 0.00 0.00 178.44 177.41 3i4m h ASP 930 N 0.00 0.21 -0.79 1.25 3.32 -0.82 -3.02 116.42 116.57 3i4m h ASP 930 Ca 0.06 -0.73 0.14 0.00 0.02 0.00 0.00 57.03 56.51 3i4m h ASP 930 Cb 0.89 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.28 3i4m h ASP 930 CO -0.00 1.60 0.37 -0.33 -1.72 0.00 0.00 179.24 179.16 3i4m h GLU 931 N -0.54 0.52 0.27 3.56 5.08 0.10 1.03 114.58 124.60 3i4m h GLU 931 Ca -0.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3i4m h GLU 931 Cb 1.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 3i4m h GLU 931 CO -0.06 0.35 -0.36 1.49 -1.00 0.00 0.00 179.01 179.43 3i4m h GLU 932 N 0.54 -0.63 -0.12 2.33 4.81 -1.22 0.27 114.58 120.57 3i4m h GLU 932 Ca 0.43 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 3i4m h GLU 932 Cb 0.60 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3i4m h GLU 932 CO -0.37 -0.42 0.10 -0.92 -0.73 0.00 0.00 179.01 176.67 3i4m h TYR 933 N -0.65 0.00 -0.23 0.92 3.20 -1.12 0.07 116.97 119.15 3i4m h TYR 933 Ca -0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 3i4m h TYR 933 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3i4m h TYR 933 CO -0.26 0.00 -0.12 0.87 -1.64 0.00 0.00 178.16 177.01 3i4m h LYS 934 N 0.00 0.50 0.02 1.82 1.79 0.21 -2.94 116.57 117.96 3i4m h LYS 934 Ca 0.06 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3i4m h LYS 934 Cb 0.25 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3i4m h LYS 934 CO -0.00 0.77 -0.01 0.37 -1.08 0.00 0.00 179.45 179.50 3i4m h GLN 935 N 0.21 -0.02 -0.97 3.15 5.75 0.52 -2.07 115.11 121.68 3i4m h GLN 935 Ca 0.05 0.00 0.23 0.00 -0.15 0.00 0.00 58.65 58.78 3i4m h GLN 935 Cb 0.62 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.10 3i4m h GLN 935 CO 0.04 0.30 0.63 -0.07 -2.65 0.00 0.00 178.83 177.08 3i4m h LEU 936 N -0.35 0.44 -0.21 -2.39 3.38 -1.08 0.27 115.31 115.38 3i4m h LEU 936 Ca -0.00 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3i4m h LEU 936 Cb 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3i4m h LEU 936 CO 0.00 0.14 -0.90 0.58 0.09 0.00 0.00 178.44 178.35 3i4m h VAL 937 N 0.42 1.63 -0.75 1.22 2.07 -1.35 -1.87 116.25 117.61 3i4m h VAL 937 Ca 0.52 -3.03 -0.06 0.00 0.82 0.00 0.00 66.70 64.96 3i4m h VAL 937 Cb 1.30 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 3i4m h VAL 937 CO -0.23 0.87 0.25 0.50 0.02 0.00 0.00 177.57 178.99 3i4m h LYS 938 N 0.01 1.15 0.26 1.57 3.64 0.18 -2.67 116.57 120.72 3i4m h LYS 938 Ca -0.02 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3i4m h LYS 938 Cb 1.59 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 3i4m h LYS 938 CO 0.12 0.97 -0.30 -0.44 -2.27 0.00 0.00 179.45 177.52 3i4m h ASP 939 N 1.11 -0.84 -1.00 4.20 3.32 -0.84 -1.57 116.42 120.80 3i4m h ASP 939 Ca 0.24 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.51 3i4m h ASP 939 Cb 0.28 0.29 -0.15 0.00 0.22 0.00 0.00 39.33 39.98 3i4m h ASP 939 CO -0.01 -0.42 -0.45 -0.09 -1.72 0.00 0.00 179.24 176.54 3i4m h ARG 940 N -0.61 -0.00 0.00 3.56 9.65 -1.01 1.60 114.38 127.56 3i4m h ARG 940 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i4m h ARG 940 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3i4m h ARG 940 CO -0.09 -0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.31 3i4m n LYS 941 N -5.40 0.82 -0.09 0.20 4.76 -0.97 -1.38 118.16 116.10 3i4m n LYS 941 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3i4m n LYS 941 Cb 0.36 -1.10 -0.04 0.00 -1.84 0.00 0.00 35.03 32.40 3i4m n LYS 941 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i4m n PHE 942 N -0.60 0.00 -0.24 2.13 -0.00 0.52 -4.28 117.46 115.00 3i4m n PHE 942 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.46 3i4m n PHE 942 Cb 0.02 -0.58 0.08 0.00 -0.00 0.00 0.00 39.48 39.00 3i4m n PHE 942 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3i4m h LEU 943 N -0.91 0.66 0.00 -2.13 3.38 -0.78 0.24 115.31 115.77 3i4m h LEU 943 Ca -0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i4m h LEU 943 Cb 1.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3i4m h LEU 943 CO -0.10 0.45 0.00 0.54 0.09 0.00 0.00 178.44 179.42 3i4m n ARG 944 N -4.70 0.28 -0.09 1.13 1.74 -0.48 -0.52 116.66 114.02 3i4m n ARG 944 Ca 0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 3i4m n ARG 944 Cb 0.10 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 3i4m n ARG 944 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i4m n GLU 945 N -0.99 0.63 0.09 5.56 2.13 0.76 -4.04 120.64 124.78 3i4m n GLU 945 Ca 0.07 0.09 -0.22 0.00 0.66 0.00 0.00 57.16 57.76 3i4m n GLU 945 Cb 0.03 -1.37 -0.15 0.00 0.27 0.00 0.00 31.44 30.22 3i4m n GLU 945 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i4m h VAL 946 N 0.00 1.38 -2.15 6.31 2.07 -0.74 -3.33 116.25 119.79 3i4m h VAL 946 Ca -0.41 -2.59 -0.79 0.00 0.82 0.00 0.00 66.70 63.73 3i4m h VAL 946 Cb 1.68 3.11 -0.27 0.00 -1.52 0.00 0.00 31.29 34.28 3i4m h VAL 946 CO -0.05 0.76 1.02 0.49 0.02 0.00 0.00 177.57 179.80 3i4m n PHE 947 N -3.94 2.87 -0.60 1.57 3.01 0.33 -4.78 117.46 115.92 3i4m n PHE 947 Ca -0.16 -2.49 0.46 0.00 1.01 0.00 0.00 57.45 56.27 3i4m n PHE 947 Cb 0.94 -1.18 0.72 0.00 -0.01 0.00 0.00 39.48 39.96 3i4m n PHE 947 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3i4m n VAL 948 N -0.25 -0.06 -0.12 -4.37 0.24 -1.25 0.82 118.33 113.33 3i4m n VAL 948 Ca 0.49 1.45 -0.06 0.00 -2.04 0.00 0.00 64.34 64.19 3i4m n VAL 948 Cb 0.25 -2.41 0.03 0.00 -1.47 0.00 0.00 33.84 30.24 3i4m n VAL 948 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3i4m h ASP 949 N 0.00 0.21 0.00 -1.34 3.58 -1.88 -3.47 116.42 113.52 3i4m h ASP 949 Ca 0.85 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.34 3i4m h ASP 949 Cb 3.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 44.30 3i4m h ASP 949 CO -0.13 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 3i4m n GLY 950 N -1.23 1.13 3.66 -0.78 0.00 0.24 -4.78 105.19 103.44 3i4m n GLY 950 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3i4m n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i4m n GLU 951 N -0.74 1.30 0.00 1.61 4.07 -1.26 -4.64 120.64 120.97 3i4m n GLU 951 Ca 0.00 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 3i4m n GLU 951 Cb 0.00 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 3i4m n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i4m n ALA 952 N -1.19 1.20 -2.52 4.31 0.00 -1.26 -4.95 120.51 116.10 3i4m n ALA 952 Ca 0.11 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3i4m n ALA 952 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3i4m n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i4m s ASN 953 N -0.57 6.20 0.18 0.00 0.01 -1.26 -1.56 114.94 117.93 3i4m s ASN 953 Ca 0.00 -0.42 -0.00 0.00 -0.71 0.00 0.00 52.86 51.73 3i4m s ASN 953 Cb 0.00 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 3i4m s ASN 953 CO 0.00 -0.46 0.09 0.26 -1.51 0.00 0.00 177.10 175.48 3i4m s TRP 954 N 2.10 1.11 -0.26 2.20 0.52 -0.82 -4.93 118.94 118.85 3i4m s TRP 954 Ca 0.12 -1.27 -0.29 0.00 0.02 0.00 0.00 56.10 54.68 3i4m s TRP 954 Cb -0.17 -0.59 0.00 0.00 -1.15 0.00 0.00 33.47 31.57 3i4m s TRP 954 CO 0.13 -0.52 1.18 -1.25 0.02 0.00 0.00 176.95 176.51 3i4m s PRO 955 N -4.08 4.10 -0.11 4.98 0.04 -1.26 -0.48 135.00 138.19 3i4m s PRO 955 Ca 0.32 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 3i4m s PRO 955 Cb 0.07 -3.76 0.04 0.00 0.04 0.00 0.00 34.50 30.88 3i4m s PRO 955 CO 0.08 -0.86 0.28 -0.51 0.04 0.00 0.00 177.00 176.03 3i4m s LEU 956 N 3.72 0.66 1.02 -3.56 1.43 -0.89 -4.89 118.68 116.17 3i4m s LEU 956 Ca 0.50 0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 54.05 3i4m s LEU 956 Cb -0.16 0.92 0.12 0.00 0.03 0.00 0.00 46.19 47.09 3i4m s LEU 956 CO 0.15 -0.13 0.56 -0.81 0.23 0.00 0.00 176.35 176.36 3i4m n PRO 957 N 3.50 -1.02 -2.97 1.29 -0.04 -1.26 -3.21 135.00 131.30 3i4m n PRO 957 Ca -0.18 -0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.01 3i4m n PRO 957 Cb 0.56 -1.98 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 3i4m n PRO 957 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i4m n VAL 958 N -4.17 -5.94 -1.84 0.52 0.31 -1.26 -4.81 118.33 101.13 3i4m n VAL 958 Ca 0.06 1.07 -0.42 0.00 -0.01 0.00 0.00 64.34 65.03 3i4m n VAL 958 Cb 0.55 -4.44 -0.03 0.00 -0.91 0.00 0.00 33.84 29.01 3i4m n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3i4m s ASN 959 N -0.97 6.51 -0.20 4.52 3.84 -1.26 -4.88 114.94 122.50 3i4m s ASN 959 Ca -0.03 2.66 0.15 0.00 0.21 0.00 0.00 52.86 55.84 3i4m s ASN 959 Cb 0.00 -2.58 -0.24 0.00 -0.55 0.00 0.00 41.25 37.89 3i4m s ASN 959 CO 0.31 -0.91 0.05 -0.38 -2.79 0.00 0.00 177.10 173.38 3i4m n ILE 960 N 4.38 1.42 -0.23 -5.21 5.41 -1.26 -3.48 119.36 120.40 3i4m n ILE 960 Ca 0.16 -0.80 -0.06 0.00 1.00 0.00 0.00 62.75 63.04 3i4m n ILE 960 Cb 0.38 -0.67 0.04 0.00 -0.71 0.00 0.00 39.64 38.68 3i4m n ILE 960 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3i4m h ARG 961 N 0.00 0.88 -0.07 0.38 1.12 -2.00 -2.45 114.38 112.24 3i4m h ARG 961 Ca -0.54 -0.10 -0.05 0.00 -1.11 0.00 0.00 59.98 58.18 3i4m h ARG 961 Cb 2.18 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.96 3i4m h ARG 961 CO 0.01 0.67 -0.15 0.00 -3.11 0.00 0.00 179.97 177.39 3i4m h ARG 962 N 0.87 0.23 -0.02 0.20 3.08 -1.98 0.20 114.38 116.95 3i4m h ARG 962 Ca 0.22 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3i4m h ARG 962 Cb 0.04 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i4m h ARG 962 CO -0.04 0.74 0.55 0.97 -1.07 0.00 0.00 179.97 181.12 3i4m h ILE 963 N -0.25 0.01 0.00 2.04 2.10 -1.54 0.62 117.51 120.50 3i4m h ILE 963 Ca 0.00 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 65.58 3i4m h ILE 963 Cb 0.73 0.46 -0.06 0.00 -1.09 0.00 0.00 36.82 36.85 3i4m h ILE 963 CO 0.03 0.00 -2.36 -0.38 -1.08 0.00 0.00 178.15 174.36 3i4m n ILE 964 N -2.80 1.37 -0.40 2.19 5.41 -0.94 -3.28 119.36 120.91 3i4m n ILE 964 Ca -0.01 -0.51 0.32 0.00 1.00 0.00 0.00 62.75 63.55 3i4m n ILE 964 Cb 0.59 -1.37 0.60 0.00 -0.71 0.00 0.00 39.64 38.76 3i4m n ILE 964 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3i4m h GLN 965 N -0.04 0.17 0.18 0.38 4.20 0.34 1.82 115.11 122.16 3i4m h GLN 965 Ca -0.54 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 57.84 3i4m h GLN 965 Cb 1.81 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 29.57 3i4m h GLN 965 CO -0.10 0.11 -1.57 -0.91 -0.67 0.00 0.00 178.83 175.69 3i4m h ASN 966 N 0.17 0.60 -1.20 1.46 2.35 -1.21 -3.18 115.58 114.58 3i4m h ASN 966 Ca 0.76 -0.92 0.35 0.00 -0.55 0.00 0.00 56.30 55.93 3i4m h ASN 966 Cb 2.24 -0.20 -0.09 0.00 0.05 0.00 0.00 38.32 40.32 3i4m h ASN 966 CO -0.40 1.72 0.80 0.00 -1.65 0.00 0.00 177.43 177.90 3i4m h ALA 967 N 0.08 2.66 -3.00 -0.83 0.00 0.23 0.81 119.26 119.22 3i4m h ALA 967 Ca -0.31 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i4m h ALA 967 Cb 2.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3i4m h ALA 967 CO 0.17 -1.12 0.00 1.04 0.00 0.00 0.00 179.25 179.34 3i4m n GLN 968 N -4.51 0.00 0.05 0.00 1.13 0.33 -3.59 117.38 110.80 3i4m n GLN 968 Ca 0.30 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.36 3i4m n GLN 968 Cb 1.18 0.00 0.04 0.00 0.11 0.00 0.00 30.24 31.56 3i4m n GLN 968 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i4m n GLN 969 N 0.00 0.01 0.18 -1.09 10.64 -1.17 -0.38 117.38 125.58 3i4m n GLN 969 Ca 0.00 0.22 0.05 0.00 -1.83 0.00 0.00 57.00 55.44 3i4m n GLN 969 Cb 0.00 -2.01 0.26 0.00 -0.86 0.00 0.00 30.24 27.63 3i4m n GLN 969 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3i4m h THR 970 N 0.00 0.88 0.00 -0.39 2.02 -0.91 -3.08 112.91 111.43 3i4m h THR 970 Ca 0.00 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3i4m h THR 970 Cb 0.95 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 3i4m h THR 970 CO 0.00 0.40 -0.01 0.49 0.37 0.00 0.00 175.52 176.77 3i4m n PHE 971 N -3.45 0.00 -1.04 3.16 3.01 0.49 -4.97 117.46 114.67 3i4m n PHE 971 Ca 0.00 -0.91 -0.05 0.00 1.01 0.00 0.00 57.45 57.51 3i4m n PHE 971 Cb 0.57 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 3i4m n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3i4m n HIS 972 N -1.28 -0.66 -0.87 1.38 8.25 -1.13 -4.73 115.22 116.18 3i4m n HIS 972 Ca 0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 3i4m n HIS 972 Cb 0.59 -1.52 -0.06 0.00 1.12 0.00 0.00 29.99 30.12 3i4m n HIS 972 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3i4m n ILE 973 N -1.24 0.00 -3.39 1.59 5.41 -1.25 -4.89 119.36 115.58 3i4m n ILE 973 Ca -0.05 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 3i4m n ILE 973 Cb 0.16 -0.28 -0.09 0.00 -0.71 0.00 0.00 39.64 38.72 3i4m n ILE 973 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3i4m s ASP 974 N 2.31 6.17 0.66 4.38 -4.77 -1.26 -4.94 116.67 119.22 3i4m s ASP 974 Ca 0.62 -0.46 0.30 0.00 -3.30 0.00 0.00 52.55 49.70 3i4m s ASP 974 Cb -0.83 -2.20 1.62 0.00 -1.09 0.00 0.00 42.92 40.42 3i4m s ASP 974 CO 0.42 -0.42 1.91 0.45 0.70 0.00 0.00 175.17 178.23 3i4m h HIS 975 N 8.57 0.00 0.00 2.11 3.86 -1.90 -3.17 115.15 124.62 3i4m h HIS 975 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3i4m h HIS 975 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3i4m h HIS 975 CO 0.65 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.69 3i4m n THR 976 N -2.87 0.00 -0.96 2.45 -2.24 -1.26 -4.81 114.28 104.59 3i4m n THR 976 Ca -0.02 1.06 -0.33 0.00 -2.27 0.00 0.00 64.05 62.48 3i4m n THR 976 Cb 0.38 -1.96 0.12 0.00 -2.10 0.00 0.00 70.33 66.77 3i4m n THR 976 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i4m n LYS 977 N -1.21 -0.06 -2.82 -0.78 5.02 -1.20 -4.92 118.16 112.18 3i4m n LYS 977 Ca 0.00 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 3i4m n LYS 977 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 32.80 3i4m n LYS 977 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i4m s PRO 978 N -3.82 4.40 0.21 1.97 0.04 -1.23 -4.92 135.00 131.64 3i4m s PRO 978 Ca 0.66 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 3i4m s PRO 978 Cb -0.27 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.81 3i4m s PRO 978 CO 0.59 0.14 0.13 0.45 0.04 0.00 0.00 177.00 178.35 3i4m n SER 979 N 0.01 -2.21 -2.71 6.66 2.88 0.13 -4.80 113.62 113.58 3i4m n SER 979 Ca 0.04 -0.17 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 3i4m n SER 979 Cb 0.52 -0.14 0.09 0.00 -0.75 0.00 0.00 64.21 63.93 3i4m n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i4m n ASP 980 N -3.40 -0.48 -4.76 -3.46 5.75 -1.26 -3.46 116.55 105.47 3i4m n ASP 980 Ca 0.02 -2.36 -0.25 0.00 -0.01 0.00 0.00 54.79 52.20 3i4m n ASP 980 Cb 0.09 0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 3i4m n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3i4m s LEU 981 N -3.57 3.10 0.24 -2.12 1.43 -1.26 -4.46 118.68 112.03 3i4m s LEU 981 Ca 0.20 -1.07 0.10 0.00 -1.03 0.00 0.00 54.13 52.33 3i4m s LEU 981 Cb 0.41 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 3i4m s LEU 981 CO -0.07 -0.60 -0.13 -0.89 0.23 0.00 0.00 176.35 174.90 3i4m s THR 982 N -2.61 2.90 0.45 5.49 2.01 -1.26 -4.71 115.64 117.91 3i4m s THR 982 Ca 0.40 -2.02 0.35 0.00 0.31 0.00 0.00 61.69 60.73 3i4m s THR 982 Cb 0.03 -2.49 0.35 0.00 0.01 0.00 0.00 72.50 70.40 3i4m s THR 982 CO 0.22 -0.27 2.07 0.40 -0.69 0.00 0.00 174.62 176.35 3i4m h ILE 983 N 2.44 0.00 0.02 1.82 2.04 -1.98 0.21 117.51 122.06 3i4m h ILE 983 Ca -0.44 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 3i4m h ILE 983 Cb 1.23 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3i4m h ILE 983 CO 0.57 0.00 -0.69 0.11 0.00 0.00 0.00 178.15 178.14 3i4m h LYS 984 N 0.00 0.05 -0.46 2.37 1.57 -1.97 -3.15 116.57 114.98 3i4m h LYS 984 Ca 0.00 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3i4m h LYS 984 Cb 0.17 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 3i4m h LYS 984 CO 0.00 1.04 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.93 3i4m h ASP 985 N -0.87 -1.85 0.00 0.86 3.32 -0.99 0.28 116.42 117.17 3i4m h ASP 985 Ca -0.17 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i4m h ASP 985 Cb 1.25 0.77 0.00 0.00 0.22 0.00 0.00 39.33 41.57 3i4m h ASP 985 CO -0.06 -0.38 0.00 -0.38 -1.72 0.00 0.00 179.24 176.71 3i4m n ILE 986 N -5.29 0.00 -0.18 0.35 5.41 -0.55 -1.95 119.36 117.15 3i4m n ILE 986 Ca -0.03 0.49 0.03 0.00 1.00 0.00 0.00 62.75 64.25 3i4m n ILE 986 Cb 0.32 -1.48 0.08 0.00 -0.71 0.00 0.00 39.64 37.85 3i4m n ILE 986 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i4m n VAL 987 N 0.00 -0.21 0.29 1.39 0.31 -1.19 0.12 118.33 119.04 3i4m n VAL 987 Ca 0.00 1.14 0.14 0.00 -0.01 0.00 0.00 64.34 65.61 3i4m n VAL 987 Cb 0.00 -1.59 0.40 0.00 -0.91 0.00 0.00 33.84 31.74 3i4m n VAL 987 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i4m h LEU 988 N 0.00 0.00 0.08 7.52 3.38 -0.53 -2.88 115.31 122.87 3i4m h LEU 988 Ca 0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.90 3i4m h LEU 988 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3i4m h LEU 988 CO -0.51 0.00 -1.74 1.23 0.09 0.00 0.00 178.44 177.51 3i4m h GLY 989 N 3.23 0.18 1.55 0.83 0.00 0.36 -3.29 103.07 105.93 3i4m h GLY 989 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3i4m h GLY 989 CO 0.00 0.41 0.02 -2.08 0.00 0.00 0.00 176.54 174.88 3i4m h VAL 990 N 0.04 1.20 -0.91 4.60 2.07 -1.50 0.51 116.25 122.27 3i4m h VAL 990 Ca -0.31 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3i4m h VAL 990 Cb 2.02 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 3i4m h VAL 990 CO 0.11 0.27 0.60 0.50 0.02 0.00 0.00 177.57 179.07 3i4m h LYS 991 N 0.54 1.14 0.00 1.57 3.64 -1.58 -2.23 116.57 119.65 3i4m h LYS 991 Ca 0.12 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3i4m h LYS 991 Cb 0.32 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3i4m h LYS 991 CO 0.01 0.75 -0.46 -0.44 -2.27 0.00 0.00 179.45 177.04 3i4m h ASP 992 N 1.17 0.00 -0.12 4.20 3.32 -1.26 -3.16 116.42 120.56 3i4m h ASP 992 Ca 0.35 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.44 3i4m h ASP 992 Cb -0.04 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3i4m h ASP 992 CO -0.10 0.18 -0.12 0.25 -1.72 0.00 0.00 179.24 177.73 3i4m h LEU 993 N 0.00 -0.37 -0.47 1.55 5.85 -0.33 -2.23 115.31 119.31 3i4m h LEU 993 Ca -0.02 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3i4m h LEU 993 Cb 1.15 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3i4m h LEU 993 CO 0.02 -0.16 0.23 1.56 -0.34 0.00 0.00 178.44 179.76 3i4m h GLN 994 N -0.14 0.45 -0.57 1.25 4.20 -1.55 -1.34 115.11 117.42 3i4m h GLN 994 Ca 0.09 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.93 3i4m h GLN 994 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3i4m h GLN 994 CO -0.21 0.30 0.78 0.93 -0.67 0.00 0.00 178.83 179.95 3i4m h GLU 995 N 0.46 0.00 -0.35 1.46 4.39 -1.37 -1.88 114.58 117.30 3i4m h GLU 995 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3i4m h GLU 995 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3i4m h GLU 995 CO -0.14 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.80 3i4m n ASN 996 N -3.33 3.26 -3.30 1.42 3.02 -0.51 -4.69 115.26 111.14 3i4m n ASN 996 Ca 0.12 -2.27 -0.38 0.00 -0.03 0.00 0.00 54.58 52.02 3i4m n ASN 996 Cb 0.97 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3i4m n ASN 996 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4m n LEU 997 N 0.31 7.51 -4.75 3.41 4.77 -0.71 -4.92 117.00 122.62 3i4m n LEU 997 Ca 0.15 -4.91 -0.41 0.00 -0.03 0.00 0.00 56.01 50.81 3i4m n LEU 997 Cb 0.56 -1.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 3i4m n LEU 997 CO 0.11 1.97 1.00 -0.76 -1.33 0.00 0.00 177.39 178.37 3i4m s LEU 998 N -3.09 4.42 0.04 2.23 1.02 -1.26 -4.93 118.68 117.11 3i4m s LEU 998 Ca 0.50 2.57 -0.02 0.00 0.02 0.00 0.00 54.13 57.19 3i4m s LEU 998 Cb 0.25 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.82 3i4m s LEU 998 CO -0.17 -0.55 -0.04 0.52 0.02 0.00 0.00 176.35 176.13 3i4m n VAL 999 N 1.77 0.91 -3.59 -1.59 0.31 -1.26 -4.85 118.33 110.04 3i4m n VAL 999 Ca 0.03 0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 64.27 3i4m n VAL 999 Cb 0.42 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 3i4m n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i4m s LEU 1000N -6.53 4.42 -0.17 7.52 1.43 -1.26 -5.01 118.68 119.07 3i4m s LEU 1000Ca -0.03 0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 3i4m s LEU 1000Cb 0.00 -2.44 -0.22 0.00 0.03 0.00 0.00 46.19 43.57 3i4m s LEU 1000CO 0.05 0.30 0.27 0.54 0.23 0.00 0.00 176.35 177.74 3i4m n ARG 1001N 2.17 0.65 0.00 1.70 3.00 -1.26 -4.86 116.66 118.07 3i4m n ARG 1001Ca -0.15 0.43 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 3i4m n ARG 1001Cb 0.53 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.26 3i4m n ARG 1001CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i4m n GLY 1002N 1.68 0.00 2.68 -0.13 0.00 -1.26 -4.82 105.19 103.34 3i4m n GLY 1002Ca -0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3i4m n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i4m n LYS 1003N 0.00 2.63 -3.53 1.61 3.00 -1.26 -4.41 118.16 116.20 3i4m n LYS 1003Ca 0.00 -3.18 -0.10 0.00 -0.00 0.00 0.00 58.31 55.03 3i4m n LYS 1003Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 35.03 32.77 3i4m n LYS 1003CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i4m s ASN 1004N -0.92 -0.41 0.07 3.14 2.20 -1.26 -5.03 114.94 112.73 3i4m s ASN 1004Ca 0.55 0.23 -0.13 0.00 -0.94 0.00 0.00 52.86 52.56 3i4m s ASN 1004Cb 0.43 0.38 -0.03 0.00 -2.00 0.00 0.00 41.25 40.04 3i4m s ASN 1004CO -0.29 -0.53 0.96 1.21 -2.94 0.00 0.00 177.10 175.51 3i4m n GLU 1005N 0.23 -0.19 -0.26 3.55 4.07 -1.26 0.62 120.64 127.40 3i4m n GLU 1005Ca -0.11 0.94 0.07 0.00 -0.06 0.00 0.00 57.16 58.01 3i4m n GLU 1005Cb 0.60 -1.40 0.21 0.00 -0.06 0.00 0.00 31.44 30.79 3i4m n GLU 1005CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3i4m h ILE 1006N 0.00 0.50 0.14 6.31 2.04 -1.98 0.96 117.51 125.49 3i4m h ILE 1006Ca 0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3i4m h ILE 1006Cb 0.17 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3i4m h ILE 1006CO -0.40 0.06 -0.07 0.40 0.00 0.00 0.00 178.15 178.14 3i4m h ILE 1007N 0.30 0.86 -0.46 -0.67 1.08 -1.13 -3.07 117.51 114.42 3i4m h ILE 1007Ca 0.45 -1.22 0.08 0.00 -0.39 0.00 0.00 64.86 63.77 3i4m h ILE 1007Cb 0.78 1.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.94 3i4m h ILE 1007CO -0.52 0.24 0.07 1.56 -0.69 0.00 0.00 178.15 178.81 3i4m h GLN 1008N -0.89 0.19 -0.03 2.37 1.08 0.56 0.18 115.11 118.57 3i4m h GLN 1008Ca -0.02 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3i4m h GLN 1008Cb 0.53 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3i4m h GLN 1008CO 0.03 0.12 0.08 -0.97 -0.95 0.00 0.00 178.83 177.14 3i4m h ASN 1009N 0.19 0.00 0.11 1.46 -0.73 0.87 0.22 115.58 117.70 3i4m h ASN 1009Ca 0.23 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.17 3i4m h ASN 1009Cb 0.30 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.92 3i4m h ASN 1009CO -0.32 0.00 -0.97 0.00 -0.37 0.00 0.00 177.43 175.77 3i4m h ALA 1010N 1.88 -0.03 -0.36 1.57 0.00 -0.59 -3.07 119.26 118.66 3i4m h ALA 1010Ca 0.02 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.26 3i4m h ALA 1010Cb 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3i4m h ALA 1010CO -0.00 0.51 -0.39 0.37 0.00 0.00 0.00 179.25 179.73 3i4m h GLN 1011N -0.03 -0.22 -0.32 0.00 5.75 0.54 0.11 115.11 120.94 3i4m h GLN 1011Ca -0.15 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3i4m h GLN 1011Cb 1.70 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 30.26 3i4m h GLN 1011CO 0.19 -0.15 -0.24 0.00 -2.65 0.00 0.00 178.83 175.98 3i4m h ARG 1012N -0.23 -0.07 0.00 1.69 3.08 -1.50 -1.51 114.38 115.85 3i4m h ARG 1012Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i4m h ARG 1012Cb 0.39 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3i4m h ARG 1012CO -0.46 -0.04 0.00 -0.25 -1.07 0.00 0.00 179.97 178.14 3i4m n ASP 1013N -3.90 0.00 -0.16 7.04 8.00 -0.60 -0.30 116.55 126.62 3i4m n ASP 1013Ca -0.00 0.87 0.26 0.00 0.71 0.00 0.00 54.79 56.63 3i4m n ASP 1013Cb 0.12 -0.39 0.45 0.00 -0.02 0.00 0.00 41.12 41.28 3i4m n ASP 1013CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m h ALA 1014N -1.13 2.85 -0.07 2.24 0.00 -0.12 -2.88 119.26 120.15 3i4m h ALA 1014Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i4m h ALA 1014Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i4m h ALA 1014CO 0.00 -1.62 0.00 0.28 0.00 0.00 0.00 179.25 177.91 3i4m n VAL 1015N -3.26 0.00 0.00 0.00 0.31 0.58 -4.68 118.33 111.29 3i4m n VAL 1015Ca 0.21 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 3i4m n VAL 1015Cb 1.42 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 3i4m n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i4m n THR 1016N -2.35 0.00 -0.25 2.52 -1.04 -0.59 -0.74 114.28 111.83 3i4m n THR 1016Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3i4m n THR 1016Cb 0.00 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.65 3i4m n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i4m h LEU 1017N 0.00 -0.38 0.57 -4.42 5.85 -1.87 -1.64 115.31 113.43 3i4m h LEU 1017Ca 0.00 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3i4m h LEU 1017Cb 0.00 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3i4m h LEU 1017CO 0.00 -0.18 -0.49 0.15 -0.34 0.00 0.00 178.44 177.58 3i4m h PHE 1018N 0.09 -1.35 -0.96 1.25 3.57 -1.27 -2.27 116.94 115.99 3i4m h PHE 1018Ca 0.40 0.00 0.30 0.00 3.53 0.00 0.00 57.97 62.20 3i4m h PHE 1018Cb 0.68 0.52 -0.16 0.00 2.79 0.00 0.00 35.95 39.78 3i4m h PHE 1018CO -0.43 -0.68 0.34 0.00 -2.23 0.00 0.00 178.31 175.31 3i4m h LEU 1021N -0.24 0.80 0.78 0.00 5.85 0.24 0.39 115.31 123.12 3i4m h LEU 1021Ca 0.14 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3i4m h LEU 1021Cb 0.45 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3i4m h LEU 1021CO -0.38 0.34 -0.42 0.25 -0.34 0.00 0.00 178.44 177.89 3i4m h LEU 1022N 0.81 -1.03 -2.18 2.25 5.85 0.37 -1.99 115.31 119.38 3i4m h LEU 1022Ca 0.54 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 3i4m h LEU 1022Cb 0.78 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3i4m h LEU 1022CO -0.32 -0.68 -0.06 0.03 -0.34 0.00 0.00 178.44 177.07 3i4m h ARG 1023N -1.11 0.00 -0.49 1.25 3.08 0.40 0.73 114.38 118.24 3i4m h ARG 1023Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3i4m h ARG 1023Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3i4m h ARG 1023CO 0.15 0.06 0.19 1.03 -1.07 0.00 0.00 179.97 180.33 3i4m h SER 1024N 0.00 0.68 0.15 7.04 0.87 0.01 -3.13 113.55 119.16 3i4m h SER 1024Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3i4m h SER 1024Cb 0.18 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3i4m h SER 1024CO 0.01 0.67 -1.38 0.54 -0.53 0.00 0.00 176.83 176.14 3i4m n ARG 1025N -4.56 0.34 -1.87 2.24 5.12 -0.31 -4.36 116.66 113.27 3i4m n ARG 1025Ca 0.02 -0.07 -0.27 0.00 -1.93 0.00 0.00 57.85 55.59 3i4m n ARG 1025Cb 0.16 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 29.95 3i4m n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i4m n LEU 1026N -1.94 5.68 -4.75 0.55 4.77 0.24 -4.61 117.00 116.93 3i4m n LEU 1026Ca 0.00 -4.67 -0.39 0.00 -0.03 0.00 0.00 56.01 50.92 3i4m n LEU 1026Cb 0.46 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3i4m n LEU 1026CO 0.43 1.95 0.40 0.00 -1.33 0.00 0.00 177.39 178.84 3i4m s ALA 1027N -3.67 3.42 0.06 -1.18 0.00 -1.18 -4.85 121.76 114.36 3i4m s ALA 1027Ca 0.54 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 3i4m s ALA 1027Cb 0.44 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 3i4m s ALA 1027CO 0.00 0.12 0.88 2.41 0.00 0.00 0.00 175.76 179.17 3i4m n THR 1028N 2.67 -0.24 -0.00 0.00 -1.04 -1.26 0.60 114.28 115.01 3i4m n THR 1028Ca -0.04 1.35 -0.02 0.00 -2.04 0.00 0.00 64.05 63.30 3i4m n THR 1028Cb 0.50 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 3i4m n THR 1028CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3i4m h ARG 1029N 0.00 -0.06 -0.97 -2.82 2.47 -1.82 -2.61 114.38 108.57 3i4m h ARG 1029Ca 0.06 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.89 3i4m h ARG 1029Cb 0.15 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 28.35 3i4m h ARG 1029CO -0.34 -0.04 -0.50 -2.13 0.56 0.00 0.00 179.97 177.52 3i4m n ARG 1030N -2.91 -0.35 -0.23 0.04 0.63 -0.61 -0.18 116.66 113.05 3i4m n ARG 1030Ca -0.01 1.48 -0.04 0.00 -0.92 0.00 0.00 57.85 58.36 3i4m n ARG 1030Cb 0.04 -2.18 0.02 0.00 0.45 0.00 0.00 32.46 30.79 3i4m n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i4m h VAL 1031N 0.00 0.17 0.03 5.15 2.07 0.45 0.38 116.25 124.50 3i4m h VAL 1031Ca 0.22 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.42 3i4m h VAL 1031Cb 0.47 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3i4m h VAL 1031CO -0.93 0.00 -1.84 0.18 0.02 0.00 0.00 177.57 175.00 3i4m n LEU 1032N -5.44 1.35 -0.01 2.57 4.32 -0.56 -3.04 117.00 116.18 3i4m n LEU 1032Ca 0.05 0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 56.25 3i4m n LEU 1032Cb 0.36 -0.18 -0.14 0.00 -1.62 0.00 0.00 43.42 41.84 3i4m n LEU 1032CO -0.01 0.53 -0.58 -0.61 -1.22 0.00 0.00 177.39 175.51 3i4m h GLN 1033N 0.02 0.08 0.00 3.23 4.15 -0.55 -2.63 115.11 119.41 3i4m h GLN 1033Ca -0.34 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 58.84 3i4m h GLN 1033Cb 2.03 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.75 3i4m h GLN 1033CO 0.08 0.71 -0.58 0.93 -1.93 0.00 0.00 178.83 178.03 3i4m h GLU 1034N 0.02 0.00 -0.11 1.69 5.08 -1.02 -3.41 114.58 116.83 3i4m h GLU 1034Ca -0.31 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.84 3i4m h GLU 1034Cb 2.02 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 31.07 3i4m h GLU 1034CO 0.09 0.44 -0.45 2.48 -1.00 0.00 0.00 179.01 180.57 3i4m n TYR 1035N -3.17 -1.67 -0.36 4.33 0.18 -1.19 -5.05 117.16 110.22 3i4m n TYR 1035Ca 0.01 -1.91 0.00 0.00 1.88 0.00 0.00 57.90 57.88 3i4m n TYR 1035Cb 0.73 1.27 0.00 0.00 -0.38 0.00 0.00 39.34 40.96 3i4m n TYR 1035CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i4m n ARG 1036N -1.02 0.00 -2.94 -3.48 5.12 -0.99 -4.76 116.66 108.59 3i4m n ARG 1036Ca -0.08 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.42 3i4m n ARG 1036Cb 0.86 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.11 3i4m n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i4m s LEU 1037N 0.00 4.08 0.00 0.55 2.01 -1.17 -4.85 118.68 119.30 3i4m s LEU 1037Ca 0.00 0.80 -0.21 0.00 0.01 0.00 0.00 54.13 54.72 3i4m s LEU 1037Cb 0.00 -3.09 0.33 0.00 0.01 0.00 0.00 46.19 43.43 3i4m s LEU 1037CO 0.00 -0.56 0.86 0.35 1.01 0.00 0.00 176.35 178.02 3i4m n THR 1038N 5.41 0.00 0.12 5.49 -2.24 -1.26 -4.56 114.28 117.24 3i4m n THR 1038Ca 0.04 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 3i4m n THR 1038Cb 0.48 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 3i4m n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i4m h LYS 1039N 0.00 -0.34 0.00 -0.78 1.63 -1.96 -2.82 116.57 112.30 3i4m h LYS 1039Ca -0.37 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 3i4m h LYS 1039Cb 1.19 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 3i4m h LYS 1039CO 0.23 0.02 0.00 0.94 -3.45 0.00 0.00 179.45 177.19 3i4m n GLN 1040N -5.04 0.00 -0.19 1.90 7.27 -1.26 -0.42 117.38 119.65 3i4m n GLN 1040Ca -0.08 0.65 0.02 0.00 0.07 0.00 0.00 57.00 57.66 3i4m n GLN 1040Cb 0.26 -1.42 0.06 0.00 2.41 0.00 0.00 30.24 31.55 3i4m n GLN 1040CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i4m n ALA 1041N -2.19 0.09 0.24 1.69 0.00 -1.25 0.90 120.51 119.99 3i4m n ALA 1041Ca 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 3i4m n ALA 1041Cb 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 3i4m n ALA 1041CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i4m h PHE 1042N 0.00 -0.58 -1.11 0.00 3.57 -1.14 -0.99 116.94 116.70 3i4m h PHE 1042Ca 0.23 -0.01 0.32 0.00 3.53 0.00 0.00 57.97 62.04 3i4m h PHE 1042Cb 0.36 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3i4m h PHE 1042CO -0.40 -0.26 0.81 -0.44 -2.23 0.00 0.00 178.31 175.78 3i4m h ASP 1043N -0.89 0.00 0.20 0.41 3.32 0.33 0.26 116.42 120.06 3i4m h ASP 1043Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3i4m h ASP 1043Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3i4m h ASP 1043CO 0.11 0.00 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.28 3i4m h TRP 1044N 0.00 -0.25 -1.30 4.55 7.01 -0.55 -3.13 115.95 122.29 3i4m h TRP 1044Ca 0.53 -0.01 0.43 0.00 2.11 0.00 0.00 58.89 61.95 3i4m h TRP 1044Cb 2.14 0.08 -0.13 0.00 -2.10 0.00 0.00 29.16 29.16 3i4m h TRP 1044CO 0.00 -0.15 0.83 0.28 -2.79 0.00 0.00 178.44 176.60 3i4m h VAL 1045N -0.71 0.12 0.87 2.65 2.07 0.27 -0.12 116.25 121.41 3i4m h VAL 1045Ca -0.03 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3i4m h VAL 1045Cb 0.21 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3i4m h VAL 1045CO 0.05 0.02 -0.42 -0.07 0.02 0.00 0.00 177.57 177.16 3i4m h LEU 1046N 0.09 -0.99 -0.99 2.57 3.38 -1.05 -1.73 115.31 116.59 3i4m h LEU 1046Ca 0.82 0.03 0.18 0.00 0.09 0.00 0.00 57.88 59.00 3i4m h LEU 1046Cb 2.53 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 43.43 3i4m h LEU 1046CO -0.44 -0.65 0.60 0.77 0.09 0.00 0.00 178.44 178.80 3i4m h SER 1047N -1.29 0.78 0.93 -0.43 4.64 -0.97 -0.08 113.55 117.14 3i4m h SER 1047Ca -0.12 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3i4m h SER 1047Cb 0.90 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3i4m h SER 1047CO 0.20 0.30 -0.45 0.78 -0.87 0.00 0.00 176.83 176.79 3i4m h ASN 1048N 0.78 -1.05 -0.93 4.97 2.35 -1.44 -0.40 115.58 119.86 3i4m h ASN 1048Ca 0.56 0.04 0.27 0.00 -0.55 0.00 0.00 56.30 56.62 3i4m h ASN 1048Cb 0.83 0.27 -0.15 0.00 0.05 0.00 0.00 38.32 39.33 3i4m h ASN 1048CO -0.37 -0.71 0.33 0.40 -1.65 0.00 0.00 177.43 175.42 3i4m h ILE 1049N -1.32 0.27 0.00 2.81 2.04 -0.40 1.31 117.51 122.22 3i4m h ILE 1049Ca -0.13 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3i4m h ILE 1049Cb 0.96 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3i4m h ILE 1049CO 0.21 0.04 0.00 1.21 0.00 0.00 0.00 178.15 179.61 3i4m n GLU 1050N -5.20 0.00 -0.05 2.37 2.13 -0.13 -1.09 120.64 118.67 3i4m n GLU 1050Ca 0.25 0.47 -0.01 0.00 0.66 0.00 0.00 57.16 58.53 3i4m n GLU 1050Cb 0.80 -1.46 0.26 0.00 0.27 0.00 0.00 31.44 31.31 3i4m n GLU 1050CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i4m h ALA 1051N -2.00 1.32 0.00 4.31 0.00 -0.65 0.92 119.26 123.16 3i4m h ALA 1051Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i4m h ALA 1051Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i4m h ALA 1051CO 0.00 0.48 -0.02 0.37 0.00 0.00 0.00 179.25 180.07 3i4m h GLN 1052N 0.63 0.00 0.00 0.00 4.15 0.16 -0.60 115.11 119.46 3i4m h GLN 1052Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3i4m h GLN 1052Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3i4m h GLN 1052CO 0.00 0.02 0.00 0.34 -1.93 0.00 0.00 178.83 177.27 3i4m n PHE 1053N -4.42 0.00 -0.18 3.99 7.35 -0.14 -3.07 117.46 120.99 3i4m n PHE 1053Ca -0.03 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.82 3i4m n PHE 1053Cb 0.11 -0.23 0.27 0.00 0.35 0.00 0.00 39.48 39.98 3i4m n PHE 1053CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i4m n LEU 1054N -1.18 0.10 -0.07 -2.13 4.77 0.13 0.32 117.00 118.94 3i4m n LEU 1054Ca 0.00 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.41 3i4m n LEU 1054Cb 0.00 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3i4m n LEU 1054CO 0.00 -0.63 0.48 0.03 -1.33 0.00 0.00 177.39 175.94 3i4m h ARG 1055N 0.00 0.65 0.00 3.23 3.08 -1.19 -3.10 114.38 117.05 3i4m h ARG 1055Ca 0.35 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3i4m h ARG 1055Cb 1.10 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i4m h ARG 1055CO -0.21 1.02 0.05 0.77 -1.07 0.00 0.00 179.97 180.53 3i4m h SER 1056N 0.35 0.00 -2.57 7.04 0.02 0.52 -3.44 113.55 115.46 3i4m h SER 1056Ca 0.01 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.54 3i4m h SER 1056Cb 0.99 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.75 3i4m h SER 1056CO 0.09 0.00 -0.61 0.52 -1.14 0.00 0.00 176.83 175.68 3i4m n VAL 1057N -2.78 0.00 -3.63 2.27 0.31 -1.17 -1.14 118.33 112.19 3i4m n VAL 1057Ca -0.02 -0.32 -0.34 0.00 -0.01 0.00 0.00 64.34 63.64 3i4m n VAL 1057Cb 0.10 -0.75 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 3i4m n VAL 1057CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i4m s VAL 1058N -2.26 5.15 -0.33 2.52 1.01 0.32 -3.52 120.40 123.29 3i4m s VAL 1058Ca 0.59 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 3i4m s VAL 1058Cb -0.16 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 3i4m s VAL 1058CO 0.63 0.28 0.68 -1.00 0.00 0.00 0.00 175.10 175.69 3i4m s HIS 1059N -1.40 3.17 -0.23 5.22 3.76 -1.26 -4.94 115.29 119.61 3i4m s HIS 1059Ca 0.32 0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 55.48 3i4m s HIS 1059Cb -0.14 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.36 3i4m s HIS 1059CO 0.18 -0.58 2.21 -2.14 -0.85 0.00 0.00 174.74 173.56 3i4m s PRO 1060N 2.77 3.10 0.00 8.40 0.02 -1.26 -1.73 135.00 146.30 3i4m s PRO 1060Ca 0.27 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3i4m s PRO 1060Cb -0.14 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.00 3i4m s PRO 1060CO 0.14 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 3i4m n GLY 1061N 5.77 1.96 3.51 0.52 0.00 -1.04 -4.87 105.19 111.03 3i4m n GLY 1061Ca 0.30 -0.16 -0.55 0.00 0.00 0.00 0.00 46.02 45.61 3i4m n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 1062N 0.00 0.36 -1.93 1.61 -0.58 -0.71 -2.07 120.64 117.33 3i4m n GLU 1062Ca 0.00 0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.49 3i4m n GLU 1062Cb 0.00 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.30 3i4m n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3i4m n MET 1063N 1.66 3.04 -0.67 3.49 2.81 -1.26 -2.47 117.12 123.72 3i4m n MET 1063Ca 0.19 -3.44 0.51 0.00 -1.81 0.00 0.00 57.70 53.15 3i4m n MET 1063Cb 0.14 -2.28 0.78 0.00 -0.71 0.00 0.00 33.22 31.16 3i4m n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i4m n VAL 1064N -0.18 0.00 0.02 2.03 0.31 -1.06 -1.91 118.33 117.55 3i4m n VAL 1064Ca 0.53 1.46 -0.01 0.00 -0.01 0.00 0.00 64.34 66.31 3i4m n VAL 1064Cb 0.29 -2.45 -0.01 0.00 -0.91 0.00 0.00 33.84 30.76 3i4m n VAL 1064CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i4m h GLY 1065N 0.00 -0.37 0.34 2.92 0.00 -0.45 0.82 103.07 106.33 3i4m h GLY 1065Ca 0.90 0.16 0.22 0.00 0.00 0.00 0.00 47.33 48.61 3i4m h GLY 1065CO -0.01 -0.14 0.61 -2.08 0.00 0.00 0.00 176.54 174.93 3i4m h VAL 1066N -0.07 0.48 0.00 4.60 2.07 -1.43 -1.71 116.25 120.19 3i4m h VAL 1066Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3i4m h VAL 1066Cb 0.05 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3i4m h VAL 1066CO 0.01 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.49 3i4m n LEU 1067N -4.08 0.88 -0.18 2.57 -0.00 -0.81 -2.63 117.00 112.75 3i4m n LEU 1067Ca 0.16 0.17 0.01 0.00 -0.00 0.00 0.00 56.01 56.35 3i4m n LEU 1067Cb 0.89 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.36 3i4m n LEU 1067CO 0.35 0.00 0.30 0.00 -0.00 0.00 0.00 177.39 178.04 3i4m n ALA 1068N -1.40 0.02 0.03 1.96 0.00 0.28 0.47 120.51 121.87 3i4m n ALA 1068Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 3i4m n ALA 1068Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3i4m n ALA 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h ALA 1069N 0.80 -0.71 0.45 0.00 0.00 -1.43 -1.10 119.26 117.27 3i4m h ALA 1069Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i4m h ALA 1069Cb 0.32 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i4m h ALA 1069CO -0.49 -0.99 -0.40 1.96 0.00 0.00 0.00 179.25 179.34 3i4m h GLN 1070N -0.57 -0.82 -0.54 0.00 4.20 0.26 0.62 115.11 118.27 3i4m h GLN 1070Ca 0.05 0.06 0.16 0.00 0.06 0.00 0.00 58.65 58.97 3i4m h GLN 1070Cb 0.66 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3i4m h GLN 1070CO -0.37 -0.55 0.91 0.77 -0.67 0.00 0.00 178.83 178.93 3i4m h SER 1071N -0.85 0.00 0.00 1.46 0.02 -0.72 0.79 113.55 114.25 3i4m h SER 1071Ca -0.04 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.63 3i4m h SER 1071Cb 0.74 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 3i4m h SER 1071CO -0.04 0.00 -1.90 -0.38 -1.14 0.00 0.00 176.83 173.37 3i4m n ILE 1072N -3.11 1.49 0.42 3.27 5.41 -0.46 -4.32 119.36 122.07 3i4m n ILE 1072Ca 0.12 -0.17 0.04 0.00 1.00 0.00 0.00 62.75 63.74 3i4m n ILE 1072Cb 1.09 -2.06 0.23 0.00 -0.71 0.00 0.00 39.64 38.19 3i4m n ILE 1072CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i4m n GLY 1073N 1.38 -0.58 0.05 7.39 0.00 0.21 -2.84 105.19 110.79 3i4m n GLY 1073Ca -0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 3i4m n GLY 1073CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i4m h GLU 1074N 0.00 0.00 0.00 1.61 4.22 0.35 -3.30 114.58 117.47 3i4m h GLU 1074Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3i4m h GLU 1074Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i4m h GLU 1074CO 0.00 0.00 0.00 -0.35 -2.18 0.00 0.00 179.01 176.48 3i4m n PRO 1075N -4.34 0.28 0.00 0.92 -0.04 -1.14 -0.97 135.00 129.70 3i4m n PRO 1075Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 3i4m n PRO 1075Cb 0.06 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 3i4m n PRO 1075CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m h ALA 1076N 2.03 0.62 0.00 0.55 0.00 -1.60 -3.28 119.26 117.58 3i4m h ALA 1076Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 3i4m h ALA 1076Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i4m h ALA 1076CO 0.00 1.46 0.00 1.15 0.00 0.00 0.00 179.25 181.86 3i4m h THR 1077N 0.02 0.00 -0.24 0.00 2.02 -1.14 -2.98 112.91 110.59 3i4m h THR 1077Ca -0.28 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3i4m h THR 1077Cb 2.00 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 3i4m h THR 1077CO 0.09 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.98 3i4m n GLN 1078N -2.90 1.83 -2.71 6.66 1.13 -1.21 -4.75 117.38 115.43 3i4m n GLN 1078Ca 0.04 -1.26 -0.43 0.00 -1.94 0.00 0.00 57.00 53.42 3i4m n GLN 1078Cb 0.50 -1.38 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 3i4m n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3i4m s MET 1079N -1.69 3.81 -1.25 -1.09 -1.94 -1.13 -4.93 119.30 111.09 3i4m s MET 1079Ca 0.31 -1.79 -0.19 0.00 -1.71 0.00 0.00 55.69 52.30 3i4m s MET 1079Cb 0.17 -5.28 0.00 0.00 2.01 0.00 0.00 34.83 31.73 3i4m s MET 1079CO 0.24 -2.06 1.85 2.41 -0.01 0.00 0.00 175.02 177.45 3i4m n THR 1080N 6.04 3.13 -2.76 2.05 -1.04 -1.26 -4.88 114.28 115.57 3i4m n THR 1080Ca 0.37 -3.19 -0.21 0.00 -2.04 0.00 0.00 64.05 58.97 3i4m n THR 1080Cb 0.48 -2.31 0.07 0.00 -1.82 0.00 0.00 70.33 66.75 3i4m n THR 1080CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i4m s LEU 1081N 6.16 3.14 -0.66 -4.42 1.43 -1.26 -5.16 118.68 117.92 3i4m s LEU 1081Ca 0.58 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.17 3i4m s LEU 1081Cb 0.04 -2.16 0.17 0.00 0.03 0.00 0.00 46.19 44.27 3i4m s LEU 1081CO 0.09 -1.46 0.55 -0.54 0.23 0.00 0.00 176.35 175.22 3i4m s LYS 1093N -4.86 3.00 -0.15 1.70 3.01 -1.26 -4.92 119.74 116.26 3i4m s LYS 1093Ca 0.62 -2.24 -0.08 0.00 -1.01 0.00 0.00 55.97 53.26 3i4m s LYS 1093Cb -0.07 -4.11 0.06 0.00 -1.01 0.00 0.00 37.83 32.69 3i4m s LYS 1093CO 0.40 -1.24 0.36 0.14 0.51 0.00 0.00 175.35 175.52 3i4m s VAL 1094N 0.53 -0.05 -0.68 3.17 -7.23 -1.26 -5.04 120.40 109.85 3i4m s VAL 1094Ca 0.13 0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 60.22 3i4m s VAL 1094Cb -0.19 -0.54 -0.16 0.00 0.56 0.00 0.00 36.38 36.06 3i4m s VAL 1094CO -0.04 0.05 1.79 0.41 -0.31 0.00 0.00 175.10 176.99 3i4m n THR 1095N 4.29 0.00 -2.67 5.32 -1.04 -1.26 -4.87 114.28 114.05 3i4m n THR 1095Ca -0.24 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 3i4m n THR 1095Cb 0.54 -0.30 0.03 0.00 -1.82 0.00 0.00 70.33 68.78 3i4m n THR 1095CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3i4m s SER 1096N 5.37 5.53 0.00 8.00 0.15 -1.26 -4.69 113.70 126.80 3i4m s SER 1096Ca 0.92 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.90 3i4m s SER 1096Cb -0.82 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 3i4m s SER 1096CO 0.34 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.40 3i4m n GLY 1097N -2.35 0.00 0.00 9.45 0.00 -1.26 -2.84 105.19 108.19 3i4m n GLY 1097Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i4m n GLY 1097CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4m n VAL 1098N 0.00 0.00 -0.23 1.61 0.31 -1.26 0.76 118.33 119.51 3i4m n VAL 1098Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3i4m n VAL 1098Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 3i4m n VAL 1098CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i4m h PRO 1099N 0.00 0.77 -0.49 5.55 0.13 -1.98 -2.62 132.00 133.36 3i4m h PRO 1099Ca 0.00 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 3i4m h PRO 1099Cb 0.00 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 30.91 3i4m h PRO 1099CO 0.00 0.51 0.25 -0.09 -0.23 0.00 0.00 178.00 178.44 3i4m h ARG 1100N 0.79 0.47 -0.67 0.86 9.65 0.50 0.03 114.38 126.01 3i4m h ARG 1100Ca 0.27 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.23 3i4m h ARG 1100Cb 0.04 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.43 3i4m h ARG 1100CO -0.11 0.31 0.27 1.25 2.80 0.00 0.00 179.97 184.49 3i4m h LEU 1101N 0.49 0.28 -0.38 3.80 5.85 -0.49 0.21 115.31 125.06 3i4m h LEU 1101Ca 0.21 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3i4m h LEU 1101Cb 0.12 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3i4m h LEU 1101CO -0.15 0.15 0.19 0.50 -0.34 0.00 0.00 178.44 178.79 3i4m h LYS 1102N 0.45 0.54 -0.85 1.25 3.64 -1.01 -1.56 116.57 119.03 3i4m h LYS 1102Ca 0.35 -0.07 0.21 0.00 -1.27 0.00 0.00 60.65 59.86 3i4m h LYS 1102Cb 0.45 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.04 3i4m h LYS 1102CO -0.33 0.46 0.28 1.49 -2.27 0.00 0.00 179.45 179.09 3i4m h GLU 1103N 0.48 0.30 0.10 1.90 4.81 0.11 -1.98 114.58 120.30 3i4m h GLU 1103Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3i4m h GLU 1103Cb 0.09 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3i4m h GLU 1103CO -0.02 0.20 -0.05 0.82 -0.73 0.00 0.00 179.01 179.23 3i4m h ILE 1104N 0.30 0.00 -1.05 2.32 2.04 0.22 -1.80 117.51 119.55 3i4m h ILE 1104Ca 0.52 -0.03 0.30 0.00 1.00 0.00 0.00 64.86 66.66 3i4m h ILE 1104Cb 0.98 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3i4m h ILE 1104CO -0.56 0.00 1.10 -0.07 0.00 0.00 0.00 178.15 178.62 3i4m h LEU 1105N -0.16 0.00 -0.05 1.44 3.38 -1.08 0.96 115.31 119.79 3i4m h LEU 1105Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i4m h LEU 1105Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i4m h LEU 1105CO 0.02 0.00 -0.19 0.59 0.09 0.00 0.00 178.44 178.96 3i4m n ASN 1106N -3.44 0.27 -2.89 -0.43 3.02 -0.77 -0.38 115.26 110.64 3i4m n ASN 1106Ca 0.23 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3i4m n ASN 1106Cb 1.43 -0.15 0.07 0.00 -0.61 0.00 0.00 39.78 40.51 3i4m n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i4m n VAL 1107N -1.37 -5.53 -1.28 2.41 0.31 0.33 -4.69 118.33 108.50 3i4m n VAL 1107Ca 0.08 -0.60 -0.47 0.00 -0.01 0.00 0.00 64.34 63.34 3i4m n VAL 1107Cb 0.32 -4.86 -0.13 0.00 -0.91 0.00 0.00 33.84 28.27 3i4m n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4m n ALA 1108N -3.26 0.24 0.60 3.52 0.00 -0.68 -4.75 120.51 116.17 3i4m n ALA 1108Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i4m n ALA 1108Cb 0.62 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3i4m n ALA 1108CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i4m n LYS 1109N 7.46 0.60 0.00 0.00 5.02 -1.26 -4.26 118.16 125.73 3i4m n LYS 1109Ca 0.56 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3i4m n LYS 1109Cb -0.01 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3i4m n LYS 1109CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3i4m n ASN 1110N 0.24 0.00 -4.20 4.39 6.94 -1.26 -5.17 115.26 116.20 3i4m n ASN 1110Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.21 3i4m n ASN 1110Cb 0.16 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.68 3i4m n ASN 1110CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3i4m n MET 1111N 0.00 -0.49 -0.06 -3.83 2.81 -1.26 -4.94 117.12 109.35 3i4m n MET 1111Ca 0.00 -0.12 -0.05 0.00 -1.81 0.00 0.00 57.70 55.71 3i4m n MET 1111Cb 0.00 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 3i4m n MET 1111CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3i4m h LYS 1112N -1.44 0.00 -5.90 0.03 1.57 -1.99 -3.44 116.57 105.40 3i4m h LYS 1112Ca -0.45 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 3i4m h LYS 1112Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.57 3i4m h LYS 1112CO 0.30 0.22 -0.17 0.99 -0.57 0.00 0.00 179.45 180.22 3i4m s THR 1113N -1.95 5.07 -0.01 -0.16 2.01 -1.26 -4.98 115.64 114.37 3i4m s THR 1113Ca -0.10 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.81 3i4m s THR 1113Cb 0.01 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3i4m s THR 1113CO 0.22 0.48 0.01 -0.81 -0.69 0.00 0.00 174.62 173.82 3i4m n PRO 1114N 2.58 3.51 0.00 4.92 -0.04 -1.26 -4.89 135.00 139.81 3i4m n PRO 1114Ca -0.11 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i4m n PRO 1114Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 3i4m n PRO 1114CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i4m n SER 1115N -1.99 0.00 0.00 3.54 2.88 -1.26 -4.06 113.62 112.72 3i4m n SER 1115Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3i4m n SER 1115Cb 0.49 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3i4m n SER 1115CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i4m n LEU 1116N 0.00 0.00 -4.64 2.46 7.94 -1.26 -4.51 117.00 116.98 3i4m n LEU 1116Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 3i4m n LEU 1116Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3i4m n LEU 1116CO 0.00 0.00 1.23 -0.89 -1.11 0.00 0.00 177.39 176.62 3i4m s THR 1117N 0.00 3.96 -0.08 1.96 2.01 0.23 -2.55 115.64 121.17 3i4m s THR 1117Ca 0.00 1.11 0.01 0.00 0.31 0.00 0.00 61.69 63.13 3i4m s THR 1117Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3i4m s THR 1117CO 0.00 -0.29 -0.09 0.68 -0.69 0.00 0.00 174.62 174.23 3i4m s VAL 1118N 4.41 3.48 -0.02 3.82 -7.23 0.15 -0.38 120.40 124.64 3i4m s VAL 1118Ca 0.63 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 60.24 3i4m s VAL 1118Cb -0.22 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3i4m s VAL 1118CO 0.24 0.58 0.09 -0.31 -0.31 0.00 0.00 175.10 175.39 3i4m s TYR 1119N -0.56 3.33 0.85 2.82 1.51 -1.26 -1.94 117.35 122.10 3i4m s TYR 1119Ca 0.08 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.28 3i4m s TYR 1119Cb -0.12 -1.76 0.10 0.00 -0.11 0.00 0.00 41.96 40.07 3i4m s TYR 1119CO 0.02 0.57 1.09 -0.48 -1.11 0.00 0.00 175.55 175.64 3i4m s LEU 1120N -1.67 2.59 0.83 -1.29 0.05 -1.26 1.00 118.68 118.93 3i4m s LEU 1120Ca 0.22 1.67 -0.12 0.00 0.05 0.00 0.00 54.13 55.96 3i4m s LEU 1120Cb -0.12 -4.20 0.09 0.00 -2.05 0.00 0.00 46.19 39.92 3i4m s LEU 1120CO 0.13 -2.44 1.15 -1.61 -0.55 0.00 0.00 176.35 173.04 3i4m s GLU 1121N -4.90 1.62 0.00 1.48 2.02 -0.02 -2.77 118.70 116.14 3i4m s GLU 1121Ca 0.63 1.52 0.00 0.00 0.02 0.00 0.00 54.97 57.14 3i4m s GLU 1121Cb -0.18 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.25 3i4m s GLU 1121CO 0.57 -2.18 0.00 -2.30 0.02 0.00 0.00 175.26 171.37 3i4m n PRO 1122N -3.64 0.00 0.00 0.39 -0.02 -1.26 -3.74 135.00 126.74 3i4m n PRO 1122Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3i4m n PRO 1122Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3i4m n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4m n GLY 1123N 0.00 -2.42 2.98 -1.23 0.00 -1.26 -4.15 105.19 99.11 3i4m n GLY 1123Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3i4m n GLY 1123CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i4m n HIS 1124N -0.77 0.00 0.00 1.61 -0.00 -1.24 -4.57 115.22 110.25 3i4m n HIS 1124Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i4m n HIS 1124Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 3i4m n HIS 1124CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i4m n ALA 1125N 4.37 0.66 0.00 1.59 0.00 -1.26 -4.53 120.51 121.34 3i4m n ALA 1125Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i4m n ALA 1125Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i4m n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n ALA 1126N -1.48 1.15 -1.65 0.00 0.00 -1.26 -3.44 120.51 113.83 3i4m n ALA 1126Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3i4m n ALA 1126Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 3i4m n ALA 1126CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i4m s ASP 1127N -2.02 3.58 0.21 0.00 -1.08 -1.26 -4.77 116.67 111.33 3i4m s ASP 1127Ca 0.00 -0.99 -0.15 0.00 -0.52 0.00 0.00 52.55 50.88 3i4m s ASP 1127Cb 0.00 -2.59 0.23 0.00 -1.46 0.00 0.00 42.92 39.09 3i4m s ASP 1127CO 0.00 -4.59 1.40 1.67 0.52 0.00 0.00 175.17 174.17 3i4m n GLN 1128N 8.21 -0.21 -0.13 4.34 -0.06 -1.26 -0.74 117.38 127.54 3i4m n GLN 1128Ca 0.42 1.39 -0.13 0.00 -2.00 0.00 0.00 57.00 56.69 3i4m n GLN 1128Cb 0.47 -2.07 -0.02 0.00 -4.06 0.00 0.00 30.24 24.56 3i4m n GLN 1128CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i4m h GLU 1129N 0.00 0.95 -0.98 3.69 4.81 -1.95 -2.96 114.58 118.13 3i4m h GLU 1129Ca 0.32 -0.47 0.37 0.00 -0.13 0.00 0.00 59.36 59.46 3i4m h GLU 1129Cb 0.55 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.75 3i4m h GLU 1129CO -0.90 1.13 0.40 0.94 -0.73 0.00 0.00 179.01 179.85 3i4m n GLN 1130N -4.09 -0.06 0.00 1.92 -0.06 0.08 0.81 117.38 115.98 3i4m n GLN 1130Ca -0.02 1.39 0.00 0.00 -2.00 0.00 0.00 57.00 56.37 3i4m n GLN 1130Cb 0.52 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 3i4m n GLN 1130CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i4m n ALA 1131N -2.51 -0.41 -0.29 1.69 0.00 -1.12 -1.55 120.51 116.32 3i4m n ALA 1131Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.73 3i4m n ALA 1131Cb 1.13 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.61 3i4m n ALA 1131CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i4m n LYS 1132N -2.00 -0.25 0.00 0.00 5.02 0.24 -0.54 118.16 120.63 3i4m n LYS 1132Ca 0.00 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 3i4m n LYS 1132Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3i4m n LYS 1132CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4m n LEU 1133N -4.95 0.00 -0.34 -0.35 4.77 0.15 -0.93 117.00 115.34 3i4m n LEU 1133Ca 0.04 0.44 0.28 0.00 -0.03 0.00 0.00 56.01 56.73 3i4m n LEU 1133Cb 0.23 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.84 3i4m n LEU 1133CO -0.11 0.00 1.11 0.40 -1.33 0.00 0.00 177.39 177.47 3i4m h ILE 1134N 0.00 0.20 -0.50 -0.08 2.04 -0.69 0.41 117.51 118.89 3i4m h ILE 1134Ca 0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3i4m h ILE 1134Cb 0.00 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 3i4m h ILE 1134CO 0.00 0.04 0.31 -0.09 0.00 0.00 0.00 178.15 178.40 3i4m h ARG 1135N 0.21 0.67 0.00 2.37 1.12 -0.43 -1.03 114.38 117.29 3i4m h ARG 1135Ca 0.77 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.59 3i4m h ARG 1135Cb 1.93 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.75 3i4m h ARG 1135CO -0.63 0.48 0.00 0.77 -3.11 0.00 0.00 179.97 177.49 3i4m h SER 1136N 0.67 0.00 0.02 -3.80 0.02 0.17 -0.52 113.55 110.11 3i4m h SER 1136Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3i4m h SER 1136Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3i4m h SER 1136CO -0.03 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 175.61 3i4m n ALA 1137N -1.81 2.66 0.00 3.77 0.00 -0.42 -4.08 120.51 120.62 3i4m n ALA 1137Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3i4m n ALA 1137Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3i4m n ALA 1137CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i4m n ILE 1138N 0.15 0.00 -1.09 0.00 -5.35 -0.90 -3.86 119.36 108.30 3i4m n ILE 1138Ca 0.17 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.22 3i4m n ILE 1138Cb 0.38 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.15 3i4m n ILE 1138CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3i4m n GLU 1139N -0.79 1.35 0.00 6.28 2.13 -0.25 -0.17 120.64 129.19 3i4m n GLU 1139Ca 0.00 -1.76 0.00 0.00 0.66 0.00 0.00 57.16 56.06 3i4m n GLU 1139Cb 0.08 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 28.91 3i4m n GLU 1139CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 3i4m n HIS 1140N 7.66 0.00 -3.78 4.31 -0.00 -1.03 -4.50 115.22 117.88 3i4m n HIS 1140Ca 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.07 3i4m n HIS 1140Cb 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.25 3i4m n HIS 1140CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3i4m s THR 1141N 0.00 -0.04 0.19 3.57 2.01 0.20 -4.86 115.64 116.70 3i4m s THR 1141Ca 0.00 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.26 3i4m s THR 1141Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 3i4m s THR 1141CO 0.00 0.07 -0.18 0.42 -0.69 0.00 0.00 174.62 174.23 3i4m s THR 1142N 0.91 1.96 0.26 -0.82 -4.23 -1.26 0.15 115.64 112.61 3i4m s THR 1142Ca -0.07 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3i4m s THR 1142Cb -0.10 -1.98 0.41 0.00 1.34 0.00 0.00 72.50 72.18 3i4m s THR 1142CO -0.03 -0.36 1.43 -0.11 -0.54 0.00 0.00 174.62 175.01 3i4m n LEU 1143N 0.03 -0.28 -0.25 4.79 7.94 -1.03 0.62 117.00 128.82 3i4m n LEU 1143Ca -0.11 1.57 0.16 0.00 -1.11 0.00 0.00 56.01 56.52 3i4m n LEU 1143Cb 0.58 -0.50 0.46 0.00 0.53 0.00 0.00 43.42 44.49 3i4m n LEU 1143CO 0.31 -1.53 1.22 0.50 -1.11 0.00 0.00 177.39 176.78 3i4m h LYS 1144N 0.00 0.50 0.00 1.96 3.64 -1.76 -0.50 116.57 120.40 3i4m h LYS 1144Ca 0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3i4m h LYS 1144Cb 0.78 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3i4m h LYS 1144CO -0.92 0.33 0.00 0.66 -2.27 0.00 0.00 179.45 177.25 3i4m h SER 1145N 0.52 0.00 0.00 4.20 4.64 -0.12 -3.21 113.55 119.58 3i4m h SER 1145Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3i4m h SER 1145Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3i4m h SER 1145CO -0.19 0.00 -1.13 1.33 -0.87 0.00 0.00 176.83 175.96 3i4m n VAL 1146N -2.63 0.00 -2.33 0.95 0.24 -0.34 -4.96 118.33 109.26 3i4m n VAL 1146Ca 0.01 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 3i4m n VAL 1146Cb 0.27 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 3i4m n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i4m s THR 1147N -2.36 3.85 -0.07 3.34 2.01 -0.39 -0.72 115.64 121.29 3i4m s THR 1147Ca -0.02 1.29 -0.12 0.00 0.31 0.00 0.00 61.69 63.16 3i4m s THR 1147Cb 0.05 -3.83 -0.29 0.00 0.01 0.00 0.00 72.50 68.44 3i4m s THR 1147CO 0.33 0.06 0.59 0.40 -0.69 0.00 0.00 174.62 175.31 3i4m h ILE 1148N 4.64 0.91 -1.33 1.82 2.04 0.48 -3.46 117.51 122.62 3i4m h ILE 1148Ca -0.40 -2.46 0.15 0.00 1.00 0.00 0.00 64.86 63.16 3i4m h ILE 1148Cb 1.20 2.71 -0.26 0.00 -0.74 0.00 0.00 36.82 39.73 3i4m h ILE 1148CO 0.86 0.83 0.72 0.00 0.00 0.00 0.00 178.15 180.55 3i4m s ALA 1149N -2.55 -2.04 0.18 1.87 0.00 -1.12 -5.01 121.76 113.08 3i4m s ALA 1149Ca -0.18 1.74 0.11 0.00 0.00 0.00 0.00 51.96 53.63 3i4m s ALA 1149Cb 0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 3i4m s ALA 1149CO 0.82 -0.25 -0.21 -1.54 0.00 0.00 0.00 175.76 174.58 3i4m s SER 1150N -0.78 3.65 0.07 0.00 1.04 -1.26 0.10 113.70 116.51 3i4m s SER 1150Ca 0.04 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 3i4m s SER 1150Cb -0.02 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.73 3i4m s SER 1150CO -0.05 0.13 0.21 -1.61 0.98 0.00 0.00 173.24 172.90 3i4m s GLU 1151N -2.58 0.79 -0.28 4.02 2.02 -0.47 -4.96 118.70 117.24 3i4m s GLU 1151Ca 0.21 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3i4m s GLU 1151Cb -0.09 0.33 0.08 0.00 0.10 0.00 0.00 34.13 34.55 3i4m s GLU 1151CO 0.11 -0.25 0.04 0.96 0.02 0.00 0.00 175.26 176.14 3i4m s ILE 1152N -3.22 1.21 0.65 -1.63 -4.36 -1.26 0.66 121.20 113.26 3i4m s ILE 1152Ca -0.00 -1.38 -0.00 0.00 -0.26 0.00 0.00 60.65 59.00 3i4m s ILE 1152Cb 0.02 -1.77 0.08 0.00 1.25 0.00 0.00 42.46 42.04 3i4m s ILE 1152CO -0.07 -0.45 0.91 -0.31 0.24 0.00 0.00 174.94 175.25 3i4m s TYR 1153N 1.48 2.21 -0.34 1.37 1.51 -0.80 -4.92 117.35 117.86 3i4m s TYR 1153Ca 0.04 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.92 3i4m s TYR 1153Cb -0.18 -2.91 0.03 0.00 -0.11 0.00 0.00 41.96 38.79 3i4m s TYR 1153CO -0.15 -1.35 0.12 -0.47 -1.11 0.00 0.00 175.55 172.59 3i4m s TYR 1154N -3.00 3.24 -0.36 2.71 5.04 -1.26 -2.17 117.35 121.55 3i4m s TYR 1154Ca 0.62 -1.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.00 3i4m s TYR 1154Cb -0.08 -2.31 0.15 0.00 0.35 0.00 0.00 41.96 40.07 3i4m s TYR 1154CO 0.42 -0.69 0.27 0.34 -1.34 0.00 0.00 175.55 174.55 3i4m s ASP 1155N 1.45 2.31 0.16 4.32 -1.08 -0.83 -4.83 116.67 118.16 3i4m s ASP 1155Ca -0.00 -2.02 0.22 0.00 -0.52 0.00 0.00 52.55 50.22 3i4m s ASP 1155Cb -0.19 -0.07 0.87 0.00 -1.46 0.00 0.00 42.92 42.07 3i4m s ASP 1155CO 0.04 -0.29 1.66 -0.81 0.52 0.00 0.00 175.17 176.29 3i4m n PRO 1156N 4.06 0.13 -3.05 4.34 -0.04 -1.20 -4.44 135.00 134.79 3i4m n PRO 1156Ca 0.12 0.32 -0.44 0.00 -0.04 0.00 0.00 63.50 63.46 3i4m n PRO 1156Cb 0.40 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 3i4m n PRO 1156CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i4m s ASP 1157N -3.81 6.23 0.00 3.54 2.15 -1.26 -4.70 116.67 118.82 3i4m s ASP 1157Ca 0.06 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.62 3i4m s ASP 1157Cb 0.10 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 3i4m s ASP 1157CO 0.39 -1.17 0.28 -0.81 -0.17 0.00 0.00 175.17 173.69 3i4m n PRO 1158N 6.57 0.39 0.00 4.34 -0.04 -1.26 -1.83 135.00 143.17 3i4m n PRO 1158Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3i4m n PRO 1158Cb 0.44 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3i4m n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i4m n ARG 1159N 0.51 3.39 -3.59 0.54 5.12 -1.26 -5.09 116.66 116.29 3i4m n ARG 1159Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 3i4m n ARG 1159Cb 0.14 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 30.69 3i4m n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i4m s SER 1160N -1.44 -0.24 -0.00 0.55 1.04 -0.76 -4.86 113.70 107.99 3i4m s SER 1160Ca 0.00 -0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.41 3i4m s SER 1160Cb 0.00 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3i4m s SER 1160CO 0.00 -0.55 -0.24 -0.89 0.98 0.00 0.00 173.24 172.54 3i4m s THR 1161N -2.91 2.23 -1.10 2.02 2.01 -1.26 -4.51 115.64 112.12 3i4m s THR 1161Ca 0.09 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.93 3i4m s THR 1161Cb -0.00 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.69 3i4m s THR 1161CO -0.05 0.51 0.70 0.52 -0.69 0.00 0.00 174.62 175.61 3i4m n VAL 1162N 2.19 0.96 -4.14 3.82 0.31 -1.26 -4.33 118.33 115.88 3i4m n VAL 1162Ca -0.16 0.30 -0.35 0.00 -0.01 0.00 0.00 64.34 64.12 3i4m n VAL 1162Cb 0.51 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 32.04 3i4m n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i4m s ILE 1163N -2.40 4.59 -0.05 2.52 1.01 -1.26 -5.03 121.20 120.58 3i4m s ILE 1163Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 3i4m s ILE 1163Cb 0.00 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 3i4m s ILE 1163CO 0.00 0.51 0.50 1.55 0.00 0.00 0.00 174.94 177.50 3i4m h PRO 1164N 6.26 -0.39 -1.80 2.79 0.13 -2.03 -3.23 132.00 133.74 3i4m h PRO 1164Ca -0.40 0.03 0.52 0.00 -0.87 0.00 0.00 66.00 65.28 3i4m h PRO 1164Cb 1.18 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3i4m h PRO 1164CO 0.65 -0.23 1.30 -0.85 -0.23 0.00 0.00 178.00 178.64 3i4m n GLU 1165N -5.04 0.00 0.00 0.86 0.28 -1.26 -2.10 120.64 113.38 3i4m n GLU 1165Ca -0.05 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 57.93 3i4m n GLU 1165Cb 0.17 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.76 3i4m n GLU 1165CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i4m n ASP 1166N -3.74 0.00 0.00 -1.84 9.92 -1.24 -4.77 116.55 114.88 3i4m n ASP 1166Ca 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 3i4m n ASP 1166Cb 1.84 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 42.32 3i4m n ASP 1166CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i4m n GLU 1167N -0.57 0.00 -0.11 -1.24 -0.58 -0.89 -2.30 120.64 114.94 3i4m n GLU 1167Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3i4m n GLU 1167Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 3i4m n GLU 1167CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i4m n GLU 1168N 0.00 -0.03 0.20 3.49 1.02 -1.26 0.21 120.64 124.28 3i4m n GLU 1168Ca 0.00 0.50 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 3i4m n GLU 1168Cb 0.00 -0.80 0.45 0.00 -0.02 0.00 0.00 31.44 31.07 3i4m n GLU 1168CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i4m h ILE 1169N 0.00 0.00 0.00 -3.67 2.04 -1.80 -0.58 117.51 113.50 3i4m h ILE 1169Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 3i4m h ILE 1169Cb 0.47 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3i4m h ILE 1169CO -0.31 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.46 3i4m n ILE 1170N -2.24 0.00 -0.20 -0.67 5.41 0.57 -3.11 119.36 119.11 3i4m n ILE 1170Ca -0.01 0.33 0.01 0.00 1.00 0.00 0.00 62.75 64.08 3i4m n ILE 1170Cb 0.35 -1.12 0.11 0.00 -0.71 0.00 0.00 39.64 38.26 3i4m n ILE 1170CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3i4m h GLN 1171N 0.00 0.15 -0.93 0.38 7.50 -1.65 0.92 115.11 121.47 3i4m h GLN 1171Ca 0.00 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.21 3i4m h GLN 1171Cb 0.00 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.43 3i4m h GLN 1171CO 0.00 0.10 0.61 -0.07 -1.50 0.00 0.00 178.83 177.96 3i4m h LEU 1172N 0.15 0.94 -1.13 1.46 3.38 -1.33 0.28 115.31 119.06 3i4m h LEU 1172Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3i4m h LEU 1172Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i4m h LEU 1172CO -0.50 0.59 0.00 1.57 0.09 0.00 0.00 178.44 180.20 3i4m n HIS 1173N -4.50 0.38 -0.08 1.13 -0.00 0.26 -3.42 115.22 108.99 3i4m n HIS 1173Ca 0.14 -0.19 -0.21 0.00 0.46 0.00 0.00 57.72 57.92 3i4m n HIS 1173Cb 0.21 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.95 3i4m n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3i4m n PHE 1174N 0.38 0.55 -1.86 1.57 3.01 0.22 -4.67 117.46 116.66 3i4m n PHE 1174Ca 0.11 0.14 -0.29 0.00 1.01 0.00 0.00 57.45 58.43 3i4m n PHE 1174Cb 0.27 -1.07 -0.05 0.00 -0.01 0.00 0.00 39.48 38.63 3i4m n PHE 1174CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i4m s SER 1175N -6.88 4.78 0.00 4.37 1.04 -0.60 -2.39 113.70 114.02 3i4m s SER 1175Ca -0.31 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3i4m s SER 1175Cb 0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.67 3i4m s SER 1175CO 0.64 -2.91 0.00 -0.11 0.98 0.00 0.00 173.24 171.84 3i4m n LEU 1176N 15.00 0.00 -2.81 2.42 0.00 -1.26 -5.01 117.00 125.34 3i4m n LEU 1176Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 56.11 3i4m n LEU 1176Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.94 3i4m n LEU 1176CO 0.64 0.00 -1.09 0.18 0.00 0.00 0.00 177.39 177.11 3i4m n LEU 1177N 0.00 -3.69 0.00 -1.96 4.77 -1.00 -4.95 117.00 110.16 3i4m n LEU 1177Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i4m n LEU 1177Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3i4m n LEU 1177CO 0.00 -3.60 0.00 0.47 -1.33 0.00 0.00 177.39 172.93 3i4m n ASP 1178N 2.46 -0.81 -1.13 -1.43 8.00 -1.26 -5.17 116.55 117.20 3i4m n ASP 1178Ca -0.01 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.51 3i4m n ASP 1178Cb 0.43 -0.20 0.12 0.00 -0.02 0.00 0.00 41.12 41.45 3i4m n ASP 1178CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i4m n GLU 1179N 1.22 1.28 0.00 -1.24 4.07 -1.26 -5.22 120.64 119.49 3i4m n GLU 1179Ca 0.00 -2.99 0.00 0.00 -0.06 0.00 0.00 57.16 54.11 3i4m n GLU 1179Cb 0.00 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3i4m n GLU 1179CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i4m n GLN 1187N -0.54 0.00 0.00 5.31 10.64 -1.26 -5.34 117.38 126.18 3i4m n GLN 1187Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 3i4m n GLN 1187Cb 0.87 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.25 3i4m n GLN 1187CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3i4m n GLN 1188N 0.00 0.00 -3.74 2.61 6.02 -1.26 -3.75 117.38 117.26 3i4m n GLN 1188Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3i4m n GLN 1188Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3i4m n GLN 1188CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i4m s SER 1189N 1.00 -0.40 0.31 1.08 0.15 -1.26 -4.50 113.70 110.08 3i4m s SER 1189Ca 0.00 0.76 0.26 0.00 0.70 0.00 0.00 55.95 57.67 3i4m s SER 1189Cb 0.00 0.77 0.95 0.00 -1.71 0.00 0.00 66.02 66.04 3i4m s SER 1189CO 0.00 -0.13 1.77 1.55 1.20 0.00 0.00 173.24 177.62 3i4m h PRO 1190N 5.58 0.00 -6.50 5.44 0.13 -1.84 -3.43 132.00 131.39 3i4m h PRO 1190Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 3i4m h PRO 1190Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3i4m h PRO 1190CO 0.27 0.00 1.08 -1.58 -0.23 0.00 0.00 178.00 177.54 3i4m s TRP 1191N -3.31 2.36 -0.02 1.56 0.23 -1.26 -1.96 118.94 116.54 3i4m s TRP 1191Ca 0.06 0.67 -0.15 0.00 -2.03 0.00 0.00 56.10 54.65 3i4m s TRP 1191Cb 0.10 -4.27 -0.05 0.00 0.03 0.00 0.00 33.47 29.27 3i4m s TRP 1191CO 0.49 -2.06 0.41 -1.17 0.96 0.00 0.00 176.95 175.58 3i4m s LEU 1192N 5.49 4.44 -0.16 2.99 2.96 -0.92 -4.46 118.68 129.03 3i4m s LEU 1192Ca 0.63 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 55.47 3i4m s LEU 1192Cb -0.15 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3i4m s LEU 1192CO 0.32 0.28 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.33 3i4m s LEU 1193N -0.82 1.65 -0.25 -0.68 2.96 -1.09 -1.90 118.68 118.55 3i4m s LEU 1193Ca 0.24 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3i4m s LEU 1193Cb -0.16 -1.00 0.07 0.00 0.50 0.00 0.00 46.19 45.60 3i4m s LEU 1193CO 0.13 -0.14 0.02 -0.60 -1.32 0.00 0.00 176.35 174.44 3i4m s ARG 1194N 1.58 1.13 0.10 1.98 3.52 0.21 -3.20 118.95 124.27 3i4m s ARG 1194Ca 0.02 -0.95 -0.09 0.00 -0.13 0.00 0.00 55.73 54.58 3i4m s ARG 1194Cb -0.14 -2.37 -0.06 0.00 -1.56 0.00 0.00 34.95 30.82 3i4m s ARG 1194CO -0.08 -0.74 0.41 -0.51 -0.81 0.00 0.00 175.30 173.56 3i4m s LEU 1195N 1.53 4.33 -0.18 -0.88 1.43 -1.15 -1.37 118.68 122.38 3i4m s LEU 1195Ca 0.01 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3i4m s LEU 1195Cb -0.18 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 42.99 3i4m s LEU 1195CO -0.12 0.14 -0.17 -0.70 0.23 0.00 0.00 176.35 175.74 3i4m s GLU 1196N -2.05 3.09 0.27 1.70 2.12 0.11 -1.89 118.70 122.05 3i4m s GLU 1196Ca 0.35 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 3i4m s GLU 1196Cb -0.14 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 3i4m s GLU 1196CO 0.19 -0.18 0.49 -0.51 -0.54 0.00 0.00 175.26 174.71 3i4m s LEU 1197N 1.27 4.12 0.01 2.70 1.43 -1.19 0.11 118.68 127.12 3i4m s LEU 1197Ca 0.04 0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 3i4m s LEU 1197Cb -0.14 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 3i4m s LEU 1197CO -0.09 -0.16 0.52 -0.62 0.23 0.00 0.00 176.35 176.23 3i4m s ASP 1198N -3.40 6.93 0.02 2.29 -1.08 0.10 -4.50 116.67 117.03 3i4m s ASP 1198Ca 0.41 1.10 -0.28 0.00 -0.52 0.00 0.00 52.55 53.26 3i4m s ASP 1198Cb -0.10 -2.32 -0.16 0.00 -1.46 0.00 0.00 42.92 38.87 3i4m s ASP 1198CO 0.31 0.20 1.19 0.03 0.52 0.00 0.00 175.17 177.42 3i4m h ARG 1199N 5.17 -0.98 -0.64 4.34 3.08 -1.95 0.37 114.38 123.77 3i4m h ARG 1199Ca -0.48 0.07 0.13 0.00 0.07 0.00 0.00 59.98 59.77 3i4m h ARG 1199Cb 1.21 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 31.36 3i4m h ARG 1199CO 0.66 -0.66 -0.09 0.00 -1.07 0.00 0.00 179.97 178.82 3i4m h ALA 1200N -1.30 0.52 -0.48 0.04 0.00 -1.99 -1.28 119.26 114.77 3i4m h ALA 1200Ca -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i4m h ALA 1200Cb 0.78 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3i4m h ALA 1200CO 0.17 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.28 3i4m h ALA 1201N 1.62 0.62 0.00 0.00 0.00 -1.90 -1.97 119.26 117.63 3i4m h ALA 1201Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i4m h ALA 1201Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i4m h ALA 1201CO -0.61 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.43 3i4m n MET 1202N -4.68 0.56 -0.00 0.00 2.00 0.12 -3.48 117.12 111.62 3i4m n MET 1202Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.68 3i4m n MET 1202Cb 0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 33.22 32.26 3i4m n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3i4m n ASN 1203N -0.52 0.63 0.00 7.83 3.02 -0.79 -0.69 115.26 124.75 3i4m n ASN 1203Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3i4m n ASN 1203Cb 0.00 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3i4m n ASN 1203CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i4m n ASP 1204N -3.35 0.00 0.00 6.41 -0.08 -0.91 0.65 116.55 119.26 3i4m n ASP 1204Ca -0.06 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 3i4m n ASP 1204Cb 0.39 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.54 3i4m n ASP 1204CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3i4m n LYS 1205N -1.31 0.83 -2.25 -0.67 5.02 -1.23 -5.10 118.16 113.45 3i4m n LYS 1205Ca 0.00 -0.75 -0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3i4m n LYS 1205Cb 0.00 -0.76 -0.00 0.00 -0.02 0.00 0.00 35.03 34.25 3i4m n LYS 1205CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3i4m n ASP 1206N -0.17 -4.49 -4.05 4.39 -0.08 0.21 -5.05 116.55 107.31 3i4m n ASP 1206Ca 0.00 1.39 -0.10 0.00 -1.51 0.00 0.00 54.79 54.57 3i4m n ASP 1206Cb 0.28 -3.27 -0.07 0.00 2.34 0.00 0.00 41.12 40.40 3i4m n ASP 1206CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i4m s LEU 1207N -0.29 0.55 -0.03 -2.67 1.43 0.13 -4.91 118.68 112.90 3i4m s LEU 1207Ca -0.02 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 3i4m s LEU 1207Cb 0.00 1.39 0.03 0.00 0.03 0.00 0.00 46.19 47.64 3i4m s LEU 1207CO 0.04 -1.06 0.02 -0.89 0.23 0.00 0.00 176.35 174.69 3i4m s THR 1208N -4.05 0.09 0.22 5.49 2.01 -1.26 -4.89 115.64 113.23 3i4m s THR 1208Ca 0.27 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 3i4m s THR 1208Cb 0.01 -0.22 0.18 0.00 0.01 0.00 0.00 72.50 72.49 3i4m s THR 1208CO 0.10 0.14 1.69 0.24 -0.69 0.00 0.00 174.62 176.09 3i4m h MET 1209N 7.44 0.20 -0.21 4.92 0.00 -1.96 0.47 114.93 125.79 3i4m h MET 1209Ca -0.39 -0.01 0.05 0.00 0.00 0.00 0.00 59.70 59.35 3i4m h MET 1209Cb 1.13 -0.05 -0.07 0.00 0.00 0.00 0.00 31.60 32.61 3i4m h MET 1209CO 0.43 0.14 -0.41 0.78 0.00 0.00 0.00 176.91 177.85 3i4m h GLY 1210N 0.21 -0.61 0.00 8.32 0.00 -1.96 -2.51 103.07 106.52 3i4m h GLY 1210Ca 0.33 0.51 0.00 0.00 0.00 0.00 0.00 47.33 48.17 3i4m h GLY 1210CO -0.46 -0.21 0.00 -1.06 0.00 0.00 0.00 176.54 174.81 3i4m n GLN 1211N -5.43 0.00 0.00 4.80 6.02 0.05 -1.29 117.38 121.54 3i4m n GLN 1211Ca -0.03 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 3i4m n GLN 1211Cb 0.35 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.43 3i4m n GLN 1211CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i4m n VAL 1212N -1.55 0.00 -0.25 5.09 0.31 -0.57 0.60 118.33 121.95 3i4m n VAL 1212Ca 0.00 0.24 -0.03 0.00 -0.01 0.00 0.00 64.34 64.54 3i4m n VAL 1212Cb 0.00 -0.34 0.03 0.00 -0.91 0.00 0.00 33.84 32.62 3i4m n VAL 1212CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i4m h GLY 1213N 0.00 0.05 0.28 2.92 0.00 -1.40 0.66 103.07 105.59 3i4m h GLY 1213Ca 0.00 0.42 0.15 0.00 0.00 0.00 0.00 47.33 47.90 3i4m h GLY 1213CO 0.00 -0.22 0.71 0.83 0.00 0.00 0.00 176.54 177.86 3i4m h GLU 1214N -0.10 0.00 0.08 4.80 4.39 0.15 2.14 114.58 126.04 3i4m h GLU 1214Ca 0.28 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.77 3i4m h GLU 1214Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3i4m h GLU 1214CO -0.76 0.00 -1.08 -0.09 -1.16 0.00 0.00 179.01 175.92 3i4m h ARG 1215N 0.00 0.17 0.04 2.33 9.65 0.11 -3.15 114.38 123.53 3i4m h ARG 1215Ca 0.25 -0.30 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3i4m h ARG 1215Cb 1.67 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 30.33 3i4m h ARG 1215CO -0.00 1.14 -0.16 0.82 2.80 0.00 0.00 179.97 184.57 3i4m h ILE 1216N -0.54 0.62 -0.88 1.20 2.04 0.31 0.18 117.51 120.45 3i4m h ILE 1216Ca -0.24 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.85 3i4m h ILE 1216Cb 1.55 0.62 -0.15 0.00 -0.74 0.00 0.00 36.82 38.10 3i4m h ILE 1216CO 0.02 0.00 0.10 0.50 0.00 0.00 0.00 178.15 178.77 3i4m h LYS 1217N -0.28 0.11 0.00 2.37 1.63 0.27 0.49 116.57 121.15 3i4m h LYS 1217Ca 0.04 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.66 3i4m h LYS 1217Cb 0.33 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3i4m h LYS 1217CO -0.13 0.07 -0.81 -0.56 -3.45 0.00 0.00 179.45 174.58 3i4m h GLN 1218N 0.11 0.00 -0.05 1.90 3.07 -1.32 1.41 115.11 120.23 3i4m h GLN 1218Ca 0.53 0.00 0.01 0.00 0.09 0.00 0.00 58.65 59.28 3i4m h GLN 1218Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.60 3i4m h GLN 1218CO -0.74 0.81 0.04 1.15 0.09 0.00 0.00 178.83 180.17 3i4m h THR 1219N 0.00 0.91 0.00 1.86 2.02 0.30 -3.34 112.91 114.66 3i4m h THR 1219Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3i4m h THR 1219Cb 1.56 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3i4m h THR 1219CO 0.10 0.00 -0.27 0.49 0.37 0.00 0.00 175.52 176.22 3i4m n PHE 1220N -4.42 0.00 0.00 3.16 3.01 -0.79 -5.09 117.46 113.33 3i4m n PHE 1220Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3i4m n PHE 1220Cb 0.14 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3i4m n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i4m n LYS 1221N -3.71 0.00 -2.58 -1.08 5.02 0.48 -4.59 118.16 111.70 3i4m n LYS 1221Ca -0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3i4m n LYS 1221Cb 0.14 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.16 3i4m n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i4m n ASN 1222N 4.93 6.60 0.00 4.39 4.13 -1.26 -3.56 115.26 130.49 3i4m n ASN 1222Ca 0.00 -3.36 0.00 0.00 1.68 0.00 0.00 54.58 52.90 3i4m n ASN 1222Cb 0.00 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 36.93 3i4m n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3i4m n ASP 1223N 1.69 0.00 -4.02 6.41 5.75 -1.26 -5.03 116.55 120.09 3i4m n ASP 1223Ca 0.40 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.90 3i4m n ASP 1223Cb 0.31 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.23 3i4m n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3i4m s LEU 1224N -0.11 1.64 -0.10 -2.12 2.96 -1.23 -2.78 118.68 116.92 3i4m s LEU 1224Ca 0.00 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.31 3i4m s LEU 1224Cb 0.00 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3i4m s LEU 1224CO 0.00 -0.02 0.48 0.12 -1.32 0.00 0.00 176.35 175.61 3i4m s PHE 1225N 1.20 3.53 -0.02 5.38 5.36 -0.55 -4.57 117.98 128.31 3i4m s PHE 1225Ca -0.02 0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 56.84 3i4m s PHE 1225Cb -0.14 -2.54 0.01 0.00 -0.34 0.00 0.00 43.02 40.01 3i4m s PHE 1225CO -0.05 0.21 0.06 0.08 -1.46 0.00 0.00 175.22 174.06 3i4m s VAL 1226N 0.48 -0.00 0.21 3.12 1.01 -1.26 -2.11 120.40 121.85 3i4m s VAL 1226Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3i4m s VAL 1226Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3i4m s VAL 1226CO 0.11 0.00 0.10 -0.38 0.00 0.00 0.00 175.10 174.93 3i4m n ILE 1227N 3.06 0.00 -3.63 2.22 5.41 -0.96 -5.01 119.36 120.46 3i4m n ILE 1227Ca -0.12 -1.31 -0.05 0.00 1.00 0.00 0.00 62.75 62.26 3i4m n ILE 1227Cb 0.59 0.52 -0.05 0.00 -0.71 0.00 0.00 39.64 40.00 3i4m n ILE 1227CO 0.00 0.00 0.00 -1.66 0.00 0.00 0.00 176.55 174.89 3i4m s TRP 1228N -2.48 -0.16 0.00 1.39 -2.14 -1.26 -3.14 118.94 111.15 3i4m s TRP 1228Ca 0.14 0.31 0.00 0.00 2.66 0.00 0.00 56.10 59.21 3i4m s TRP 1228Cb 0.01 0.47 0.00 0.00 -3.10 0.00 0.00 33.47 30.85 3i4m s TRP 1228CO 0.10 -0.12 0.00 -1.13 -2.66 0.00 0.00 176.95 173.14 3i4m n SER 1229N 0.91 0.00 -3.89 -2.66 3.41 -0.91 -5.01 113.62 105.48 3i4m n SER 1229Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 3i4m n SER 1229Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 3i4m n SER 1229CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i4m s GLU 1230N 0.00 0.52 0.00 4.33 2.02 -1.26 -4.80 118.70 119.52 3i4m s GLU 1230Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.46 3i4m s GLU 1230Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.44 3i4m s GLU 1230CO 0.00 -0.13 0.72 -0.25 0.02 0.00 0.00 175.26 175.62 3i4m n ASP 1231N 1.19 0.00 -0.02 -0.19 8.00 -1.26 -0.74 116.55 123.52 3i4m n ASP 1231Ca -0.21 0.25 -0.00 0.00 0.71 0.00 0.00 54.79 55.53 3i4m n ASP 1231Cb 0.57 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3i4m n ASP 1231CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i4m h ASN 1232N 0.00 0.00 -1.89 -2.24 -0.73 -1.98 -3.47 115.58 105.27 3i4m h ASN 1232Ca 0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 3i4m h ASN 1232Cb 0.38 0.00 0.24 0.00 0.27 0.00 0.00 38.32 39.21 3i4m h ASN 1232CO 0.00 0.24 -1.77 0.47 -0.37 0.00 0.00 177.43 176.00 3i4m n ASP 1233N -3.34 -3.09 0.01 1.15 8.00 0.08 -4.92 116.55 114.43 3i4m n ASP 1233Ca -0.00 0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 3i4m n ASP 1233Cb 0.00 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 3i4m n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i4m h GLU 1234N -1.46 0.05 -4.76 -1.24 4.11 -1.92 -3.44 114.58 105.92 3i4m h GLU 1234Ca -0.46 -0.09 -0.67 0.00 0.07 0.00 0.00 59.36 58.21 3i4m h GLU 1234Cb 1.36 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.43 3i4m h GLU 1234CO 0.29 0.72 -0.53 0.15 0.07 0.00 0.00 179.01 179.71 3i4m s LYS 1235N -2.62 3.39 -0.06 1.06 1.02 -1.26 -5.01 119.74 116.26 3i4m s LYS 1235Ca -0.05 -0.70 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 3i4m s LYS 1235Cb 0.08 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3i4m s LYS 1235CO 0.82 -0.43 0.72 -0.51 -0.92 0.00 0.00 175.35 175.04 3i4m s LEU 1236N 1.65 4.32 0.16 3.17 1.43 -1.26 -4.67 118.68 123.47 3i4m s LEU 1236Ca 0.05 1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 3i4m s LEU 1236Cb -0.17 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 42.94 3i4m s LEU 1236CO 0.08 -0.13 0.40 -0.63 0.23 0.00 0.00 176.35 176.30 3i4m s ILE 1237N 0.81 0.06 -0.21 -0.59 1.01 -1.26 -3.20 121.20 117.82 3i4m s ILE 1237Ca 0.39 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3i4m s ILE 1237Cb -0.18 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 40.86 3i4m s ILE 1237CO 0.19 -0.26 0.14 -0.63 0.00 0.00 0.00 174.94 174.37 3i4m s ILE 1238N -3.88 -0.15 0.53 2.92 1.01 -0.79 -2.13 121.20 118.71 3i4m s ILE 1238Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3i4m s ILE 1238Cb 0.01 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3i4m s ILE 1238CO -0.05 -0.39 0.80 -0.13 0.00 0.00 0.00 174.94 175.18 3i4m s ARG 1239N 2.18 2.98 0.00 2.79 0.52 -1.19 -2.93 118.95 123.31 3i4m s ARG 1239Ca 0.05 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 3i4m s ARG 1239Cb -0.16 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3i4m s ARG 1239CO -0.18 -0.52 0.00 0.00 0.02 0.00 0.00 175.30 174.62 3i4m n ARG 1241N -0.37 0.34 0.00 0.00 1.74 -0.90 -2.66 116.66 114.80 3i4m n ARG 1241Ca 0.00 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.99 3i4m n ARG 1241Cb 0.00 1.61 0.00 0.00 -1.02 0.00 0.00 32.46 33.05 3i4m n ARG 1241CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i4m n VAL 1242N -0.43 0.00 -4.00 1.55 0.31 -1.26 -1.48 118.33 113.02 3i4m n VAL 1242Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 3i4m n VAL 1242Cb 0.38 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.24 3i4m n VAL 1242CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i4m s VAL 1243N 1.68 0.05 0.00 2.52 0.11 -1.12 -4.18 120.40 119.46 3i4m s VAL 1243Ca 0.00 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 3i4m s VAL 1243Cb 0.00 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 3i4m s VAL 1243CO 0.00 -0.21 0.00 0.54 -3.33 0.00 0.00 175.10 172.10 3i4m n ARG 1244N -0.25 2.00 -3.94 1.54 1.74 -1.25 -4.90 116.66 111.60 3i4m n ARG 1244Ca -0.05 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 3i4m n ARG 1244Cb 0.63 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.03 3i4m n ARG 1244CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i4m s PRO 1245N 0.00 2.30 0.00 5.56 0.04 -1.26 -5.11 135.00 136.54 3i4m s PRO 1245Ca 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 61.00 59.16 3i4m s PRO 1245Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3i4m s PRO 1245CO 0.00 -0.34 0.00 1.17 0.04 0.00 0.00 177.00 177.87 3i4m n LYS 1246N -1.51 0.00 -3.66 4.56 4.81 -1.26 -5.23 118.16 115.87 3i4m n LYS 1246Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 3i4m n LYS 1246Cb 0.64 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.62 3i4m n LYS 1246CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4m s ALA 1254N -1.00 -1.54 0.00 3.14 0.00 -1.26 -5.17 121.76 115.93 3i4m s ALA 1254Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3i4m s ALA 1254Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3i4m s ALA 1254CO 0.00 -0.78 0.00 -1.91 0.00 0.00 0.00 175.76 173.07 3i4m n GLU 1255N 5.31 0.00 -0.10 0.00 0.00 -1.26 -5.12 120.64 119.47 3i4m n GLU 1255Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.86 3i4m n GLU 1255Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.85 3i4m n GLU 1255CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3i4m n GLU 1256N 0.00 0.55 -0.44 5.31 1.02 -1.26 -4.50 120.64 121.32 3i4m n GLU 1256Ca 0.00 0.48 0.36 0.00 -0.02 0.00 0.00 57.16 57.98 3i4m n GLU 1256Cb 0.00 -1.67 0.65 0.00 -0.02 0.00 0.00 31.44 30.40 3i4m n GLU 1256CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3i4m h ASP 1257N -1.00 0.24 -0.55 1.62 1.82 -2.00 -0.15 116.42 116.41 3i4m h ASP 1257Ca -0.33 0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.49 3i4m h ASP 1257Cb 1.19 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 41.25 3i4m h ASP 1257CO -0.20 -0.13 0.25 -0.74 -1.61 0.00 0.00 179.24 176.81 3i4m h HIS 1258N 0.12 0.45 0.24 0.28 2.76 -2.01 -2.99 115.15 114.00 3i4m h HIS 1258Ca 0.79 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 58.64 3i4m h HIS 1258Cb 2.50 -0.12 0.03 0.00 1.55 0.00 0.00 27.41 31.37 3i4m h HIS 1258CO -0.00 0.19 -1.54 0.52 -1.30 0.00 0.00 177.93 175.80 3i4m h MET 1259N 0.47 0.51 -0.18 5.26 2.86 -1.29 -3.22 114.93 119.35 3i4m h MET 1259Ca 0.26 -0.87 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3i4m h MET 1259Cb 0.22 0.32 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3i4m h MET 1259CO -0.21 1.42 0.00 -0.11 1.06 0.00 0.00 176.91 179.07 3i4m n LEU 1260N -3.69 0.18 0.00 1.22 7.94 -0.98 -0.54 117.00 121.13 3i4m n LEU 1260Ca -0.18 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 3i4m n LEU 1260Cb 1.10 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.96 3i4m n LEU 1260CO 0.59 0.04 -0.45 1.17 -1.11 0.00 0.00 177.39 177.63 3i4m n LYS 1261N -0.24 1.13 -0.04 1.96 4.81 -1.14 -4.53 118.16 120.11 3i4m n LYS 1261Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3i4m n LYS 1261Cb 0.04 -0.95 -0.12 0.00 0.02 0.00 0.00 35.03 34.02 3i4m n LYS 1261CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i4m h LYS 1262N 0.00 0.05 0.00 1.64 1.57 -0.83 -2.80 116.57 116.21 3i4m h LYS 1262Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i4m h LYS 1262Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3i4m h LYS 1262CO 0.00 0.90 0.00 -0.89 -0.57 0.00 0.00 179.45 178.89 3i4m n ILE 1263N -4.61 0.00 0.00 1.86 5.41 -0.59 -2.54 119.36 118.90 3i4m n ILE 1263Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3i4m n ILE 1263Cb 0.46 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3i4m n ILE 1263CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3i4m n GLU 1264N -0.69 0.00 -0.12 0.38 4.07 -1.05 -4.05 120.64 119.18 3i4m n GLU 1264Ca 0.00 0.18 -0.05 0.00 -0.06 0.00 0.00 57.16 57.23 3i4m n GLU 1264Cb 0.00 -0.83 0.14 0.00 -0.06 0.00 0.00 31.44 30.69 3i4m n GLU 1264CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3i4m h ASN 1265N 0.00 0.79 -0.31 4.31 2.35 -1.67 -2.50 115.58 118.55 3i4m h ASN 1265Ca 0.00 -0.20 0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3i4m h ASN 1265Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3i4m h ASN 1265CO 0.00 0.87 0.83 0.74 -1.65 0.00 0.00 177.43 178.22 3i4m h THR 1266N 0.76 0.05 0.03 2.81 2.02 -1.71 0.53 112.91 117.39 3i4m h THR 1266Ca 0.14 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.94 3i4m h THR 1266Cb 0.49 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 3i4m h THR 1266CO 0.02 0.00 -2.17 0.23 0.37 0.00 0.00 175.52 173.97 3i4m n MET 1267N -2.93 0.64 -0.10 6.66 2.81 -0.95 -3.47 117.12 119.77 3i4m n MET 1267Ca 0.06 0.29 0.12 0.00 -1.81 0.00 0.00 57.70 56.36 3i4m n MET 1267Cb 0.94 -1.59 0.49 0.00 -0.71 0.00 0.00 33.22 32.34 3i4m n MET 1267CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3i4m h LEU 1268N -0.48 0.39 0.00 4.03 3.38 0.04 -3.30 115.31 119.37 3i4m h LEU 1268Ca -0.54 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3i4m h LEU 1268Cb 1.73 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3i4m h LEU 1268CO -0.18 0.23 -0.31 -0.62 0.09 0.00 0.00 178.44 177.65 3i4m n GLU 1269N -4.47 0.16 0.00 1.13 1.02 -0.12 -2.92 120.64 115.44 3i4m n GLU 1269Ca 0.10 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3i4m n GLU 1269Cb 0.38 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3i4m n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i4m n ASN 1270N -3.46 0.83 -3.84 1.62 3.02 -1.23 -4.59 115.26 107.61 3i4m n ASN 1270Ca -0.04 -0.76 -0.27 0.00 -0.03 0.00 0.00 54.58 53.48 3i4m n ASN 1270Cb 0.16 -0.19 -0.17 0.00 -0.61 0.00 0.00 39.78 38.97 3i4m n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i4m s ILE 1271N -0.04 0.84 0.19 2.41 1.01 -1.24 -4.96 121.20 119.41 3i4m s ILE 1271Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3i4m s ILE 1271Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3i4m s ILE 1271CO 0.00 0.17 0.10 -0.89 0.00 0.00 0.00 174.94 174.31 3i4m s THR 1272N 1.76 4.20 0.00 2.92 2.01 -1.26 -2.47 115.64 122.79 3i4m s THR 1272Ca 0.02 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.75 3i4m s THR 1272Cb -0.14 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3i4m s THR 1272CO -0.07 -0.16 0.00 0.18 -0.69 0.00 0.00 174.62 173.88 3i4m n LEU 1273N -0.44 0.00 -4.64 4.42 4.32 0.39 -4.87 117.00 116.18 3i4m n LEU 1273Ca -0.08 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.67 3i4m n LEU 1273Cb 0.56 -0.11 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 3i4m n LEU 1273CO 0.42 -0.30 -0.30 -0.13 -1.22 0.00 0.00 177.39 175.85 3i4m s ARG 1274N -0.61 2.17 0.01 3.23 0.52 -1.20 -4.96 118.95 118.11 3i4m s ARG 1274Ca 0.00 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 3i4m s ARG 1274Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 3i4m s ARG 1274CO 0.00 0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.93 3i4m n GLY 1275N -0.96 -3.41 3.51 -3.53 0.00 -1.25 0.60 105.19 100.15 3i4m n GLY 1275Ca -0.05 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3i4m n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 1276N -0.97 1.47 0.37 1.61 1.01 0.75 -4.63 120.40 120.01 3i4m s VAL 1276Ca 0.00 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.75 3i4m s VAL 1276Cb 0.00 -2.86 -0.14 0.00 0.00 0.00 0.00 36.38 33.37 3i4m s VAL 1276CO 0.00 0.00 0.43 1.21 0.00 0.00 0.00 175.10 176.74 3i4m n GLU 1277N -0.79 0.34 0.00 2.72 4.07 -1.26 -3.33 120.64 122.39 3i4m n GLU 1277Ca -0.03 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3i4m n GLU 1277Cb 0.67 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.76 3i4m n GLU 1277CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3i4m n ASN 1278N 1.73 0.00 -4.61 4.31 3.02 -1.26 -4.63 115.26 113.82 3i4m n ASN 1278Ca 0.12 0.00 -0.60 0.00 -0.03 0.00 0.00 54.58 54.07 3i4m n ASN 1278Cb 0.37 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 3i4m n ASN 1278CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3i4m n ILE 1279N 0.00 0.16 -3.83 2.41 -0.00 -1.21 -4.47 119.36 112.42 3i4m n ILE 1279Ca 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 62.75 62.58 3i4m n ILE 1279Cb 0.00 -0.96 -0.09 0.00 -0.00 0.00 0.00 39.64 38.60 3i4m n ILE 1279CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3i4m s GLU 1280N 4.16 0.66 -1.47 0.38 2.02 -1.26 -2.47 118.70 120.73 3i4m s GLU 1280Ca 1.05 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 55.51 3i4m s GLU 1280Cb -1.24 0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.27 3i4m s GLU 1280CO 0.68 -0.19 0.21 0.54 0.02 0.00 0.00 175.26 176.52 3i4m n ARG 1281N 0.89 -2.55 -1.69 1.61 1.74 -1.26 -3.28 116.66 112.13 3i4m n ARG 1281Ca -0.20 0.84 -0.44 0.00 -0.77 0.00 0.00 57.85 57.29 3i4m n ARG 1281Cb 0.58 -5.39 -0.02 0.00 -1.02 0.00 0.00 32.46 26.61 3i4m n ARG 1281CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i4m n VAL 1282N -4.15 1.25 -4.50 1.55 0.31 -1.26 -4.63 118.33 106.90 3i4m n VAL 1282Ca -0.17 -0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 63.60 3i4m n VAL 1282Cb 0.64 -1.56 -0.13 0.00 -0.91 0.00 0.00 33.84 31.87 3i4m n VAL 1282CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i4m s VAL 1283N -0.34 1.65 0.28 2.52 1.01 -0.45 -4.99 120.40 120.09 3i4m s VAL 1283Ca 0.64 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3i4m s VAL 1283Cb -0.61 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 3i4m s VAL 1283CO 0.53 0.10 0.66 -0.04 0.00 0.00 0.00 175.10 176.35 3i4m s MET 1284N -1.43 3.93 -0.27 2.72 -1.94 -1.26 -1.70 119.30 119.35 3i4m s MET 1284Ca 0.07 0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 54.44 3i4m s MET 1284Cb -0.09 -2.53 0.09 0.00 2.01 0.00 0.00 34.83 34.31 3i4m s MET 1284CO 0.03 0.23 0.62 -1.64 -0.01 0.00 0.00 175.02 174.25 3i4m s MET 1285N -2.87 0.60 -1.24 2.03 -1.94 0.18 -4.92 119.30 111.14 3i4m s MET 1285Ca 0.51 1.24 -0.11 0.00 -1.71 0.00 0.00 55.69 55.62 3i4m s MET 1285Cb -0.11 0.37 0.18 0.00 2.01 0.00 0.00 34.83 37.28 3i4m s MET 1285CO 0.19 -0.17 1.65 1.17 -0.01 0.00 0.00 175.02 177.85 3i4m n LYS 1286N 4.76 3.56 -0.67 2.03 4.81 -1.26 0.20 118.16 131.59 3i4m n LYS 1286Ca -0.17 -3.75 -0.31 0.00 -0.87 0.00 0.00 58.31 53.21 3i4m n LYS 1286Cb 0.55 -2.94 0.17 0.00 0.02 0.00 0.00 35.03 32.83 3i4m n LYS 1286CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i4m n TYR 1287N 4.41 0.43 -3.33 5.64 0.53 -0.95 -4.81 117.16 119.08 3i4m n TYR 1287Ca 0.37 0.33 -0.21 0.00 -1.02 0.00 0.00 57.90 57.38 3i4m n TYR 1287Cb 0.39 -1.95 -0.00 0.00 -1.03 0.00 0.00 39.34 36.75 3i4m n TYR 1287CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3i4m s ASP 1288N -2.55 5.98 -0.28 7.72 -1.08 -1.26 -2.38 116.67 122.82 3i4m s ASP 1288Ca 0.66 0.06 -0.23 0.00 -0.52 0.00 0.00 52.55 52.52 3i4m s ASP 1288Cb -0.23 -1.47 0.11 0.00 -1.46 0.00 0.00 42.92 39.87 3i4m s ASP 1288CO 0.60 -0.49 0.92 -0.60 0.52 0.00 0.00 175.17 176.12 3i4m s ARG 1289N -4.31 0.59 -0.12 4.34 3.52 -1.26 -4.75 118.95 116.97 3i4m s ARG 1289Ca 0.45 0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 56.69 3i4m s ARG 1289Cb -0.10 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 3i4m s ARG 1289CO 0.34 -0.08 0.26 0.15 -0.81 0.00 0.00 175.30 175.16 3i4m s LYS 1290N 0.50 3.95 0.01 5.12 1.02 -1.26 0.22 119.74 129.30 3i4m s LYS 1290Ca -0.00 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 3i4m s LYS 1290Cb -0.05 -3.32 0.05 0.00 -0.52 0.00 0.00 37.83 33.99 3i4m s LYS 1290CO -0.06 0.49 0.51 0.08 -0.92 0.00 0.00 175.35 175.44 3i4m s VAL 1291N -0.29 0.03 -0.41 3.17 1.01 -0.33 -4.90 120.40 118.68 3i4m s VAL 1291Ca 0.17 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3i4m s VAL 1291Cb -0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 3i4m s VAL 1291CO 0.05 -0.14 2.31 -2.65 0.00 0.00 0.00 175.10 174.68 3i4m n PRO 1292N 0.75 1.20 -1.92 2.72 -0.02 -1.26 0.82 135.00 137.29 3i4m n PRO 1292Ca -0.19 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 3i4m n PRO 1292Cb 0.58 -2.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 3i4m n PRO 1292CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i4m s SER 1293N 9.14 6.54 0.37 2.55 0.15 0.19 -4.81 113.70 127.83 3i4m s SER 1293Ca 1.07 2.76 0.20 0.00 0.70 0.00 0.00 55.95 60.68 3i4m s SER 1293Cb -0.56 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 62.43 3i4m s SER 1293CO 0.39 -0.79 1.60 1.55 1.20 0.00 0.00 173.24 177.18 3i4m h PRO 1294N 5.20 0.06 0.00 5.44 0.13 -1.91 1.10 132.00 142.01 3i4m h PRO 1294Ca -0.46 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3i4m h PRO 1294Cb 1.22 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3i4m h PRO 1294CO 0.80 0.04 -0.09 0.00 -0.23 0.00 0.00 178.00 178.51 3i4m h THR 1295N 0.06 0.62 0.00 1.56 1.03 -2.01 -3.48 112.91 110.69 3i4m h THR 1295Ca 0.83 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.83 3i4m h THR 1295Cb 2.17 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 70.50 3i4m h THR 1295CO -0.73 0.09 0.00 0.61 -0.01 0.00 0.00 175.52 175.48 3i4m n GLY 1296N -0.89 1.58 3.54 2.99 0.00 0.38 -3.58 105.19 109.20 3i4m n GLY 1296Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3i4m n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 1297N 0.00 -0.09 -2.75 1.61 4.71 -1.24 -4.09 120.64 118.79 3i4m n GLU 1297Ca 0.00 0.03 -0.40 0.00 -0.01 0.00 0.00 57.16 56.78 3i4m n GLU 1297Cb 0.00 -2.10 -0.06 0.00 -1.01 0.00 0.00 31.44 28.27 3i4m n GLU 1297CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3i4m s TYR 1298N -2.28 3.98 0.04 -0.32 1.51 -1.26 0.54 117.35 119.55 3i4m s TYR 1298Ca 0.65 1.91 -0.02 0.00 -1.01 0.00 0.00 57.07 58.60 3i4m s TYR 1298Cb -0.26 -2.97 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 3i4m s TYR 1298CO 0.60 0.45 0.01 0.08 -1.11 0.00 0.00 175.55 175.57 3i4m s VAL 1299N -1.20 0.17 -0.26 0.71 1.01 0.24 -4.79 120.40 116.30 3i4m s VAL 1299Ca 0.41 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3i4m s VAL 1299Cb -0.26 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3i4m s VAL 1299CO 0.32 -0.79 1.94 -0.54 0.00 0.00 0.00 175.10 176.03 3i4m s LYS 1300N -3.09 3.35 -0.57 2.72 1.02 -1.26 -1.18 119.74 120.74 3i4m s LYS 1300Ca -0.01 1.74 0.06 0.00 0.02 0.00 0.00 55.97 57.79 3i4m s LYS 1300Cb 0.02 -4.24 0.25 0.00 -0.52 0.00 0.00 37.83 33.33 3i4m s LYS 1300CO -0.07 -1.84 0.67 -1.91 -0.92 0.00 0.00 175.35 171.28 3i4m n GLU 1301N 8.42 1.96 -1.49 1.68 2.13 0.58 -4.94 120.64 128.99 3i4m n GLU 1301Ca 0.25 -4.24 -0.45 0.00 0.66 0.00 0.00 57.16 53.38 3i4m n GLU 1301Cb 0.46 -1.96 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 3i4m n GLU 1301CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3i4m n PRO 1302N 1.07 0.70 -4.18 5.31 -0.04 -1.26 -4.28 135.00 132.33 3i4m n PRO 1302Ca 0.27 0.25 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 3i4m n PRO 1302Cb 0.44 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 3i4m n PRO 1302CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3i4m s GLU 1303N -1.36 0.75 0.16 0.54 -1.05 -1.00 -4.53 118.70 112.22 3i4m s GLU 1303Ca 0.61 -0.83 -0.28 0.00 -0.15 0.00 0.00 54.97 54.32 3i4m s GLU 1303Cb -0.76 -0.70 -0.08 0.00 -0.44 0.00 0.00 34.13 32.16 3i4m s GLU 1303CO 0.58 0.16 0.87 -1.58 0.95 0.00 0.00 175.26 176.24 3i4m s TRP 1304N -1.16 3.89 0.02 4.83 0.52 -1.22 -2.24 118.94 123.58 3i4m s TRP 1304Ca -0.03 1.75 -0.00 0.00 0.02 0.00 0.00 56.10 57.84 3i4m s TRP 1304Cb -0.09 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.30 3i4m s TRP 1304CO 0.01 0.40 -0.02 0.08 0.02 0.00 0.00 176.95 177.44 3i4m s VAL 1305N -0.76 0.10 -0.11 4.03 1.01 0.53 -4.32 120.40 120.87 3i4m s VAL 1305Ca 0.40 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3i4m s VAL 1305Cb -0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3i4m s VAL 1305CO 0.29 -0.44 0.02 -0.76 0.00 0.00 0.00 175.10 174.21 3i4m s LEU 1306N -1.28 3.64 -0.07 3.92 1.43 -0.82 0.51 118.68 126.01 3i4m s LEU 1306Ca -0.14 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3i4m s LEU 1306Cb -0.09 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3i4m s LEU 1306CO -0.01 0.33 -0.24 -1.61 0.23 0.00 0.00 176.35 175.05 3i4m s GLU 1307N -0.58 2.67 0.00 1.70 2.02 -0.69 0.34 118.70 124.17 3i4m s GLU 1307Ca 0.10 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.20 3i4m s GLU 1307Cb -0.12 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.91 3i4m s GLU 1307CO 0.02 0.34 0.00 -2.37 0.02 0.00 0.00 175.26 173.27 3i4m n THR 1308N 3.07 0.00 -2.47 3.63 5.66 -1.06 -1.34 114.28 121.79 3i4m n THR 1308Ca -0.18 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.80 3i4m n THR 1308Cb 0.52 -1.46 0.06 0.00 -1.55 0.00 0.00 70.33 67.91 3i4m n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3i4m n ASP 1309N 0.00 -1.00 0.00 1.09 -0.08 -1.21 -4.43 116.55 110.92 3i4m n ASP 1309Ca 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 54.79 51.48 3i4m n ASP 1309Cb 0.00 0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.90 3i4m n ASP 1309CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i4m n GLY 1310N -0.90 0.84 2.85 0.27 0.00 -1.26 -4.05 105.19 102.94 3i4m n GLY 1310Ca -0.15 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3i4m n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 1311N -2.00 0.85 -0.42 1.61 1.01 -1.26 -4.50 120.40 115.68 3i4m s VAL 1311Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3i4m s VAL 1311Cb 0.00 -1.01 0.30 0.00 0.00 0.00 0.00 36.38 35.66 3i4m s VAL 1311CO 0.00 0.19 0.82 -3.20 0.00 0.00 0.00 175.10 172.90 3i4m n ASN 1312N 4.98 -0.95 -0.21 3.32 2.85 -1.26 -4.91 115.26 119.08 3i4m n ASN 1312Ca -0.11 -3.18 -0.03 0.00 -0.11 0.00 0.00 54.58 51.16 3i4m n ASN 1312Cb 0.49 0.57 0.08 0.00 1.24 0.00 0.00 39.78 42.15 3i4m n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3i4m h LEU 1313N 3.45 0.50 0.00 1.20 5.85 -1.95 -2.71 115.31 121.64 3i4m h LEU 1313Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i4m h LEU 1313Cb 1.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3i4m h LEU 1313CO 0.36 0.33 0.06 -1.54 -0.34 0.00 0.00 178.44 177.31 3i4m n SER 1314N -4.81 0.00 0.00 1.25 3.41 -1.26 -2.10 113.62 110.10 3i4m n SER 1314Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3i4m n SER 1314Cb 0.15 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3i4m n SER 1314CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4m n GLU 1315N -0.60 0.00 0.00 4.33 1.02 -1.15 -4.82 120.64 119.41 3i4m n GLU 1315Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i4m n GLU 1315Cb 0.06 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3i4m n GLU 1315CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i4m n VAL 1316N -1.84 0.00 -0.09 2.62 0.31 -0.89 -0.46 118.33 117.98 3i4m n VAL 1316Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3i4m n VAL 1316Cb 0.00 -0.12 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 3i4m n VAL 1316CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i4m n MET 1317N 0.27 0.78 -0.04 5.55 0.00 -1.16 -4.42 117.12 118.09 3i4m n MET 1317Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.78 3i4m n MET 1317Cb 0.02 -1.39 0.02 0.00 0.00 0.00 0.00 33.22 31.87 3i4m n MET 1317CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3i4m n THR 1318N -2.92 0.13 -2.82 1.12 -2.24 0.39 -4.69 114.28 103.24 3i4m n THR 1318Ca -0.31 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 3i4m n THR 1318Cb 0.90 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 3i4m n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i4m s VAL 1319N -1.37 4.19 0.30 2.28 1.01 -1.25 -5.03 120.40 120.53 3i4m s VAL 1319Ca 0.03 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 3i4m s VAL 1319Cb 0.02 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 3i4m s VAL 1319CO 0.01 0.50 1.11 -2.16 0.00 0.00 0.00 175.10 174.56 3i4m s PRO 1320N -1.10 4.56 0.00 2.72 0.04 -1.26 -3.52 135.00 136.45 3i4m s PRO 1320Ca 0.40 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.25 3i4m s PRO 1320Cb -0.25 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3i4m s PRO 1320CO 0.30 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.88 3i4m n GLY 1321N 1.07 0.73 3.43 0.56 0.00 -1.26 -4.89 105.19 104.85 3i4m n GLY 1321Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i4m n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4m s ILE 1322N -2.71 2.77 -0.46 -0.61 -4.36 -1.23 -0.84 121.20 113.77 3i4m s ILE 1322Ca 0.00 -0.89 -0.28 0.00 -0.26 0.00 0.00 60.65 59.21 3i4m s ILE 1322Cb 0.00 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.65 3i4m s ILE 1322CO 0.00 0.55 1.40 -0.62 0.24 0.00 0.00 174.94 176.51 3i4m s ASP 1323N -0.82 6.28 0.00 4.36 -1.08 0.28 -4.24 116.67 121.45 3i4m s ASP 1323Ca 0.12 0.64 0.25 0.00 -0.52 0.00 0.00 52.55 53.04 3i4m s ASP 1323Cb -0.10 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.25 3i4m s ASP 1323CO 0.01 -1.51 1.93 -0.81 0.52 0.00 0.00 175.17 175.31 3i4m n PRO 1324N 8.24 1.06 -0.00 4.34 -0.04 -1.26 -3.28 135.00 144.06 3i4m n PRO 1324Ca 0.15 -0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 3i4m n PRO 1324Cb 0.48 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3i4m n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3i4m n THR 1325N -0.79 0.00 0.35 0.52 5.66 -1.26 -4.51 114.28 114.25 3i4m n THR 1325Ca 0.19 -0.22 0.04 0.00 -3.05 0.00 0.00 64.05 61.00 3i4m n THR 1325Cb 0.11 0.66 -0.01 0.00 -1.55 0.00 0.00 70.33 69.53 3i4m n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i4m n ARG 1326N -1.65 2.94 -1.57 1.09 1.74 -1.21 -5.02 116.66 112.98 3i4m n ARG 1326Ca 0.01 -0.37 -0.38 0.00 -0.77 0.00 0.00 57.85 56.34 3i4m n ARG 1326Cb 0.32 -0.96 0.05 0.00 -1.02 0.00 0.00 32.46 30.85 3i4m n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i4m n ILE 1327N -0.57 3.31 -3.68 0.55 3.06 -1.21 -4.66 119.36 116.18 3i4m n ILE 1327Ca 0.03 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.69 3i4m n ILE 1327Cb 0.15 -1.00 -0.10 0.00 0.54 0.00 0.00 39.64 39.23 3i4m n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 3i4m s TYR 1328N -1.58 -0.75 -0.15 9.51 5.04 0.49 -5.00 117.35 124.91 3i4m s TYR 1328Ca 0.74 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.89 3i4m s TYR 1328Cb -0.42 0.35 -0.00 0.00 0.35 0.00 0.00 41.96 42.24 3i4m s TYR 1328CO 0.49 -0.42 -0.15 -0.08 -1.34 0.00 0.00 175.55 174.05 3i4m s THR 1329N 1.77 2.71 0.49 4.34 -1.32 -1.26 -0.61 115.64 121.77 3i4m s THR 1329Ca -0.08 -0.76 0.17 0.00 -1.21 0.00 0.00 61.69 59.81 3i4m s THR 1329Cb -0.09 -2.13 0.31 0.00 -1.51 0.00 0.00 72.50 69.08 3i4m s THR 1329CO -0.14 0.52 2.07 -0.55 -2.21 0.00 0.00 174.62 174.30 3i4m h ASN 1330N 7.14 0.13 -0.10 8.08 7.08 -1.79 -3.34 115.58 132.79 3i4m h ASN 1330Ca -0.30 -0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.88 3i4m h ASN 1330Cb 1.20 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 3i4m h ASN 1330CO 0.56 0.09 0.11 -0.24 -2.08 0.00 0.00 177.43 175.87 3i4m n SER 1331N -4.48 1.40 -0.35 6.14 2.88 -1.26 -4.69 113.62 113.26 3i4m n SER 1331Ca 0.04 -2.50 0.25 0.00 -1.33 0.00 0.00 58.87 55.33 3i4m n SER 1331Cb 0.27 -1.69 0.52 0.00 -0.75 0.00 0.00 64.21 62.56 3i4m n SER 1331CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3i4m h PHE 1332N 11.52 0.74 -0.52 0.66 -5.15 -1.92 0.60 116.94 122.88 3i4m h PHE 1332Ca 0.02 0.03 0.10 0.00 -0.20 0.00 0.00 57.97 57.92 3i4m h PHE 1332Cb 0.98 -0.20 -0.10 0.00 0.22 0.00 0.00 35.95 36.85 3i4m h PHE 1332CO 1.01 -0.05 -0.18 0.82 -2.00 0.00 0.00 178.31 177.91 3i4m h ILE 1333N 0.34 0.40 0.75 0.88 1.08 -1.93 0.13 117.51 119.15 3i4m h ILE 1333Ca 0.68 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 65.12 3i4m h ILE 1333Cb 1.74 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 3i4m h ILE 1333CO -0.42 0.00 -0.40 0.44 -0.69 0.00 0.00 178.15 177.08 3i4m h ASP 1334N -0.06 -0.98 -1.62 1.72 3.32 -1.26 -2.82 116.42 114.72 3i4m h ASP 1334Ca 0.25 0.04 0.47 0.00 0.02 0.00 0.00 57.03 57.81 3i4m h ASP 1334Cb 0.44 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 3i4m h ASP 1334CO -0.56 -0.65 1.16 0.40 -1.72 0.00 0.00 179.24 177.87 3i4m h ILE 1335N -1.06 0.19 0.01 0.35 2.04 -1.13 0.37 117.51 118.28 3i4m h ILE 1335Ca -0.10 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 3i4m h ILE 1335Cb 0.83 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3i4m h ILE 1335CO 0.14 0.00 -0.88 -0.03 0.00 0.00 0.00 178.15 177.38 3i4m h MET 1336N 0.00 0.05 0.02 2.37 4.05 -0.51 -2.26 114.93 118.65 3i4m h MET 1336Ca 0.77 -0.06 -0.26 0.00 -0.28 0.00 0.00 59.70 59.87 3i4m h MET 1336Cb 3.09 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 33.87 3i4m h MET 1336CO -0.01 0.90 -1.33 0.93 0.23 0.00 0.00 176.91 177.62 3i4m h GLU 1337N 0.02 0.05 0.00 0.39 5.08 -0.21 -1.91 114.58 118.01 3i4m h GLU 1337Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3i4m h GLU 1337Cb 1.54 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.83 3i4m h GLU 1337CO 0.12 0.86 -0.05 0.28 -1.00 0.00 0.00 179.01 179.22 3i4m h VAL 1338N 0.01 0.00 0.00 3.13 2.07 -1.37 -3.41 116.25 116.68 3i4m h VAL 1338Ca -0.14 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3i4m h VAL 1338Cb 1.90 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3i4m h VAL 1338CO 0.12 0.00 -0.59 -0.07 0.02 0.00 0.00 177.57 177.05 3i4m h LEU 1339N -0.73 0.00 0.00 2.57 3.38 -1.60 -3.50 115.31 115.43 3i4m h LEU 1339Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i4m h LEU 1339Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i4m h LEU 1339CO 0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.42 3i4m n GLY 1340N 1.21 1.10 0.00 0.83 0.00 -0.74 -4.66 105.19 102.94 3i4m n GLY 1340Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3i4m n GLY 1340CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i4m n ILE 1341N 2.84 0.00 -0.28 -0.61 3.06 -1.09 0.14 119.36 123.44 3i4m n ILE 1341Ca 0.00 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.34 3i4m n ILE 1341Cb 0.00 0.00 0.23 0.00 0.54 0.00 0.00 39.64 40.41 3i4m n ILE 1341CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3i4m h GLU 1342N 0.00 0.21 0.00 9.51 4.39 -1.92 2.06 114.58 128.83 3i4m h GLU 1342Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3i4m h GLU 1342Cb 0.00 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3i4m h GLU 1342CO 0.00 0.14 -0.05 0.00 -1.16 0.00 0.00 179.01 177.93 3i4m h ALA 1343N 1.71 1.00 0.18 3.43 0.00 0.98 -2.35 119.26 124.20 3i4m h ALA 1343Ca 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3i4m h ALA 1343Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i4m h ALA 1343CO -0.61 0.07 -0.09 0.78 0.00 0.00 0.00 179.25 179.40 3i4m h GLY 1344N 2.48 -0.26 -0.32 0.00 0.00 0.30 -2.42 103.07 102.86 3i4m h GLY 1344Ca -0.00 0.10 0.28 0.00 0.00 0.00 0.00 47.33 47.70 3i4m h GLY 1344CO 0.01 -0.09 0.57 -0.09 0.00 0.00 0.00 176.54 176.93 3i4m h ARG 1345N -0.94 0.44 0.18 4.80 2.43 0.28 0.90 114.38 122.48 3i4m h ARG 1345Ca -0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i4m h ARG 1345Cb 0.48 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3i4m h ARG 1345CO 0.04 0.29 -0.25 0.00 -1.51 0.00 0.00 179.97 178.54 3i4m h ALA 1346N 1.78 -0.89 -0.83 2.80 0.00 -1.38 0.94 119.26 121.70 3i4m h ALA 1346Ca 0.68 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.58 3i4m h ALA 1346Cb 1.41 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 3i4m h ALA 1346CO -0.54 -0.92 0.50 0.00 0.00 0.00 0.00 179.25 178.29 3i4m h ALA 1347N -1.24 1.15 0.17 0.00 0.00 -0.09 0.48 119.26 119.73 3i4m h ALA 1347Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i4m h ALA 1347Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3i4m h ALA 1347CO -0.07 0.19 -0.51 1.25 0.00 0.00 0.00 179.25 180.11 3i4m h LEU 1348N 0.88 -1.51 -0.30 0.00 5.85 0.11 0.53 115.31 120.87 3i4m h LEU 1348Ca 0.37 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.28 3i4m h LEU 1348Cb 0.24 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3i4m h LEU 1348CO -0.20 -0.57 0.12 0.22 -0.34 0.00 0.00 178.44 177.68 3i4m h TYR 1349N -0.78 0.23 -0.57 1.25 3.20 -0.47 -1.16 116.97 118.68 3i4m h TYR 1349Ca -0.01 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3i4m h TYR 1349Cb 0.77 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.89 3i4m h TYR 1349CO -0.42 0.11 -0.52 -0.22 -1.64 0.00 0.00 178.16 175.47 3i4m h LYS 1350N 0.27 -0.23 -0.64 1.82 3.11 0.13 0.35 116.57 121.38 3i4m h LYS 1350Ca 0.13 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.01 3i4m h LYS 1350Cb 0.08 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.32 3i4m h LYS 1350CO -0.12 -0.15 0.40 1.49 -2.81 0.00 0.00 179.45 178.26 3i4m h GLU 1351N -0.24 0.77 -0.34 1.90 4.57 0.28 -2.59 114.58 118.93 3i4m h GLU 1351Ca 0.09 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3i4m h GLU 1351Cb 0.49 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3i4m h GLU 1351CO -0.66 0.51 0.14 0.28 -1.18 0.00 0.00 179.01 178.10 3i4m h VAL 1352N 0.79 0.93 -0.37 0.32 2.07 0.10 -2.59 116.25 117.50 3i4m h VAL 1352Ca 0.25 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.75 3i4m h VAL 1352Cb 0.00 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 3i4m h VAL 1352CO -0.10 0.05 -0.20 0.22 0.02 0.00 0.00 177.57 177.57 3i4m h TYR 1353N 0.29 -0.52 0.00 1.57 3.20 0.02 -0.88 116.97 120.65 3i4m h TYR 1353Ca 0.15 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3i4m h TYR 1353Cb 0.11 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3i4m h TYR 1353CO -0.13 -0.28 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.20 3i4m h ASN 1354N -0.14 0.00 -0.48 -2.11 2.35 -1.26 0.82 115.58 114.75 3i4m h ASN 1354Ca 0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3i4m h ASN 1354Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3i4m h ASN 1354CO -0.46 0.00 -0.09 0.58 -1.65 0.00 0.00 177.43 175.81 3i4m h VAL 1355N 0.00 1.26 0.00 2.81 2.07 -0.81 -0.17 116.25 121.41 3i4m h VAL 1355Ca -0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3i4m h VAL 1355Cb 0.01 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3i4m h VAL 1355CO 0.00 0.43 -0.65 -0.38 0.02 0.00 0.00 177.57 176.99 3i4m n ILE 1356N -4.15 0.25 0.08 4.57 5.41 -0.51 -3.79 119.36 121.22 3i4m n ILE 1356Ca 0.02 -0.21 0.06 0.00 1.00 0.00 0.00 62.75 63.62 3i4m n ILE 1356Cb 0.38 -0.01 -0.02 0.00 -0.71 0.00 0.00 39.64 39.28 3i4m n ILE 1356CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m h ALA 1357N 2.62 0.60 0.00 -1.39 0.00 -0.56 -3.25 119.26 117.28 3i4m h ALA 1357Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i4m h ALA 1357Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i4m h ALA 1357CO 0.00 0.42 0.00 0.66 0.00 0.00 0.00 179.25 180.33 3i4m h SER 1358N 0.00 0.00 -0.02 0.00 4.64 -1.13 0.15 113.55 117.19 3i4m h SER 1358Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3i4m h SER 1358Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i4m h SER 1358CO 0.02 0.00 -0.10 0.47 -0.87 0.00 0.00 176.83 176.35 3i4m n ASP 1359N -2.83 2.45 0.00 4.97 8.00 -1.24 -4.96 116.55 122.94 3i4m n ASP 1359Ca -0.01 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.76 3i4m n ASP 1359Cb 0.13 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3i4m n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4m n GLY 1360N 1.17 2.14 3.27 0.44 0.00 0.52 -4.96 105.19 107.77 3i4m n GLY 1360Ca 0.11 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3i4m n GLY 1360CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i4m n SER 1361N 1.24 -2.94 -4.31 1.61 7.64 -1.23 -4.89 113.62 110.74 3i4m n SER 1361Ca 0.00 0.79 -0.31 0.00 1.01 0.00 0.00 58.87 60.36 3i4m n SER 1361Cb 0.00 -0.87 -0.16 0.00 -1.01 0.00 0.00 64.21 62.17 3i4m n SER 1361CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3i4m s TYR 1362N -1.70 2.36 -0.02 1.43 5.04 -1.26 -4.41 117.35 118.79 3i4m s TYR 1362Ca 0.59 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 3i4m s TYR 1362Cb -0.62 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.18 3i4m s TYR 1362CO 0.63 -0.05 -0.07 0.08 -1.34 0.00 0.00 175.55 174.80 3i4m s VAL 1363N -0.57 0.61 -0.20 3.14 1.01 -1.26 -4.61 120.40 118.52 3i4m s VAL 1363Ca 0.09 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 3i4m s VAL 1363Cb -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3i4m s VAL 1363CO -0.00 0.21 1.53 0.21 0.00 0.00 0.00 175.10 177.04 3i4m s ASN 1364N 0.30 6.53 0.01 3.32 3.04 -1.25 -4.87 114.94 122.02 3i4m s ASN 1364Ca -0.04 1.65 0.00 0.00 0.04 0.00 0.00 52.86 54.51 3i4m s ASN 1364Cb -0.08 -2.53 0.01 0.00 -1.54 0.00 0.00 41.25 37.10 3i4m s ASN 1364CO 0.00 -1.13 0.03 0.00 -3.04 0.00 0.00 177.10 172.96 3i4m n TYR 1365N 7.93 0.01 -0.21 0.43 9.36 -1.26 -0.06 117.16 133.37 3i4m n TYR 1365Ca 0.17 0.02 0.01 0.00 3.32 0.00 0.00 57.90 61.43 3i4m n TYR 1365Cb 0.45 -0.51 0.11 0.00 -0.63 0.00 0.00 39.34 38.75 3i4m n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3i4m h ARG 1366N 0.00 0.12 0.09 2.98 0.11 -1.89 0.79 114.38 116.58 3i4m h ARG 1366Ca 0.01 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i4m h ARG 1366Cb 0.02 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 3i4m h ARG 1366CO -0.02 0.08 -0.06 0.45 0.10 0.00 0.00 179.97 180.52 3i4m h HIS 1367N 0.13 -0.17 -0.50 4.08 3.86 -0.84 0.19 115.15 121.90 3i4m h HIS 1367Ca 0.33 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.64 3i4m h HIS 1367Cb 0.53 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 28.96 3i4m h HIS 1367CO -0.36 -0.09 -0.19 0.52 0.86 0.00 0.00 177.93 178.67 3i4m h MET 1368N -0.14 -0.08 -0.32 2.45 2.86 -1.61 0.15 114.93 118.24 3i4m h MET 1368Ca -0.01 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3i4m h MET 1368Cb 0.12 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 3i4m h MET 1368CO 0.01 -0.05 -0.14 0.00 1.06 0.00 0.00 176.91 177.78 3i4m h ALA 1369N 1.31 0.11 -0.05 6.32 0.00 0.66 -0.28 119.26 127.34 3i4m h ALA 1369Ca 0.24 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3i4m h ALA 1369Cb 0.45 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i4m h ALA 1369CO -0.56 -0.53 -0.06 1.25 0.00 0.00 0.00 179.25 179.35 3i4m h LEU 1370N -0.09 -0.22 -0.84 0.00 5.85 0.15 0.54 115.31 120.70 3i4m h LEU 1370Ca 0.16 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.12 3i4m h LEU 1370Cb 0.34 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.32 3i4m h LEU 1370CO -0.38 -0.05 0.13 0.25 -0.34 0.00 0.00 178.44 178.05 3i4m h LEU 1371N -0.04 -0.18 -1.17 2.25 5.85 -1.24 0.46 115.31 121.24 3i4m h LEU 1371Ca 0.01 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3i4m h LEU 1371Cb 0.07 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3i4m h LEU 1371CO -0.07 -0.18 0.57 1.62 -0.34 0.00 0.00 178.44 180.04 3i4m h VAL 1372N 0.15 1.15 0.30 1.05 3.04 0.71 -2.33 116.25 120.33 3i4m h VAL 1372Ca 0.50 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.81 3i4m h VAL 1372Cb 0.96 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3i4m h VAL 1372CO -0.68 0.20 -0.15 0.44 -1.01 0.00 0.00 177.57 176.37 3i4m h ASP 1373N 1.08 -0.34 -0.04 3.17 3.32 0.44 -2.61 116.42 121.44 3i4m h ASP 1373Ca 0.34 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i4m h ASP 1373Cb 0.02 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3i4m h ASP 1373CO -0.10 0.07 0.62 0.58 -1.72 0.00 0.00 179.24 178.70 3i4m h VAL 1374N -0.84 0.01 0.10 -1.35 2.07 -0.38 0.62 116.25 116.48 3i4m h VAL 1374Ca -0.04 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.18 3i4m h VAL 1374Cb 0.52 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3i4m h VAL 1374CO 0.07 0.00 -1.58 0.24 0.02 0.00 0.00 177.57 176.32 3i4m h MET 1375N 0.00 0.22 0.17 1.57 2.86 -1.27 -3.42 114.93 115.07 3i4m h MET 1375Ca 0.02 -0.37 -0.33 0.00 -2.06 0.00 0.00 59.70 56.96 3i4m h MET 1375Cb 1.27 0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.07 3i4m h MET 1375CO -0.00 1.18 -1.63 1.79 1.06 0.00 0.00 176.91 179.31 3i4m h THR 1376N -0.28 0.99 -0.95 2.22 1.35 0.39 -1.14 112.91 115.48 3i4m h THR 1376Ca -0.35 -2.49 0.09 0.00 -0.55 0.00 0.00 66.41 63.11 3i4m h THR 1376Cb 1.79 2.78 -0.12 0.00 -1.73 0.00 0.00 68.15 70.87 3i4m h THR 1376CO 0.03 0.82 -0.54 0.35 -0.25 0.00 0.00 175.52 175.92 3i4m n THR 1377N -3.70 -0.63 -0.14 6.82 -2.24 0.11 -1.31 114.28 113.19 3i4m n THR 1377Ca -0.24 2.29 0.05 0.00 -2.27 0.00 0.00 64.05 63.88 3i4m n THR 1377Cb 1.03 -2.85 0.11 0.00 -2.10 0.00 0.00 70.33 66.52 3i4m n THR 1377CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3i4m n GLN 1378N -5.21 -0.03 0.00 -0.78 -0.06 -1.26 -4.62 117.38 105.42 3i4m n GLN 1378Ca 0.03 0.61 0.00 0.00 -2.00 0.00 0.00 57.00 55.64 3i4m n GLN 1378Cb 0.26 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 3i4m n GLN 1378CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i4m n GLY 1379N -1.21 0.71 0.00 1.69 0.00 -0.43 -5.09 105.19 100.86 3i4m n GLY 1379Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i4m n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 1380N 0.00 1.59 2.75 -0.02 0.00 -1.23 -4.99 105.19 103.29 3i4m n GLY 1380Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3i4m n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4m s LEU 1381N 0.00 3.68 0.01 0.99 1.43 -1.26 -4.16 118.68 119.37 3i4m s LEU 1381Ca 0.00 -3.48 -0.30 0.00 -1.03 0.00 0.00 54.13 49.32 3i4m s LEU 1381Cb 0.00 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3i4m s LEU 1381CO 0.00 -0.13 1.27 -0.89 0.23 0.00 0.00 176.35 176.82 3i4m s THR 1382N -0.81 3.98 0.30 5.49 2.01 -0.43 -4.96 115.64 121.21 3i4m s THR 1382Ca 0.26 1.37 -0.20 0.00 0.31 0.00 0.00 61.69 63.43 3i4m s THR 1382Cb -0.05 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 3i4m s THR 1382CO -0.15 0.04 0.81 -0.94 -0.69 0.00 0.00 174.62 173.69 3i4m s SER 1383N 1.44 7.03 -1.38 3.53 1.04 -1.26 -4.64 113.70 119.45 3i4m s SER 1383Ca 0.59 1.52 -0.13 0.00 0.48 0.00 0.00 55.95 58.41 3i4m s SER 1383Cb -0.29 -2.46 0.09 0.00 0.10 0.00 0.00 66.02 63.46 3i4m s SER 1383CO 0.26 -0.11 2.05 0.52 0.98 0.00 0.00 173.24 176.94 3i4m n VAL 1384N 0.20 3.81 -3.90 5.02 0.31 0.49 -0.51 118.33 123.75 3i4m n VAL 1384Ca 0.02 -3.60 -0.09 0.00 -0.01 0.00 0.00 64.34 60.66 3i4m n VAL 1384Cb 0.52 -2.50 -0.04 0.00 -0.91 0.00 0.00 33.84 30.90 3i4m n VAL 1384CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i4m s THR 1385N 2.33 0.01 0.41 2.52 -4.23 -1.26 -4.78 115.64 110.63 3i4m s THR 1385Ca 0.45 -1.15 0.21 0.00 -1.18 0.00 0.00 61.69 60.02 3i4m s THR 1385Cb 0.11 -2.00 0.41 0.00 1.34 0.00 0.00 72.50 72.36 3i4m s THR 1385CO -0.04 -0.03 1.76 -0.09 -0.54 0.00 0.00 174.62 175.68 3i4m h ARG 1386N 2.17 0.32 0.10 3.99 2.43 -1.89 0.23 114.38 121.73 3i4m h ARG 1386Ca -0.24 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.75 3i4m h ARG 1386Cb 1.25 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3i4m h ARG 1386CO 0.32 0.21 -0.68 0.45 -1.51 0.00 0.00 179.97 178.76 3i4m h HIS 1387N 0.33 0.50 0.00 2.20 3.86 -1.90 -3.40 115.15 116.74 3i4m h HIS 1387Ca 0.62 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3i4m h HIS 1387Cb 1.67 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.11 3i4m h HIS 1387CO -0.00 1.24 0.00 0.41 0.86 0.00 0.00 177.93 180.43 3i4m n GLY 1388N 1.52 -0.65 0.25 2.45 0.00 0.07 -4.64 105.19 104.19 3i4m n GLY 1388Ca -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3i4m n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3i4m h PHE 1389N 0.00 -0.50 0.00 1.61 -5.15 -0.79 -3.14 116.94 108.97 3i4m h PHE 1389Ca 0.00 0.05 -0.00 0.00 -0.20 0.00 0.00 57.97 57.82 3i4m h PHE 1389Cb 0.00 0.29 -0.00 0.00 0.22 0.00 0.00 35.95 36.46 3i4m h PHE 1389CO 0.00 -0.28 0.00 -1.71 -2.00 0.00 0.00 178.31 174.32 3i4m n ASN 1390N -5.39 0.81 0.00 -0.68 5.15 -1.24 -1.25 115.26 112.67 3i4m n ASN 1390Ca 0.03 -1.22 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 3i4m n ASN 1390Cb 0.30 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3i4m n ASN 1390CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3i4m n ARG 1391N 1.94 4.51 -1.61 1.20 -4.01 -1.19 -4.90 116.66 112.60 3i4m n ARG 1391Ca 0.00 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.46 3i4m n ARG 1391Cb 0.08 -0.56 0.08 0.00 -3.04 0.00 0.00 32.46 29.01 3i4m n ARG 1391CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3i4m s SER 1392N -0.40 4.49 0.00 2.89 1.04 -0.38 -4.75 113.70 116.59 3i4m s SER 1392Ca 0.00 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.84 3i4m s SER 1392Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3i4m s SER 1392CO 0.00 -2.07 0.00 -0.46 0.98 0.00 0.00 173.24 171.69 3i4m n ASN 1393N -2.33 0.00 -4.53 7.02 2.04 -1.26 -4.74 115.26 111.47 3i4m n ASN 1393Ca 0.14 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.95 3i4m n ASN 1393Cb 0.50 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.88 3i4m n ASN 1393CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3i4m n THR 1394N -0.19 0.41 -1.33 5.53 -1.04 -1.26 -4.87 114.28 111.53 3i4m n THR 1394Ca 0.00 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.05 61.50 3i4m n THR 1394Cb 0.00 -0.81 0.08 0.00 -1.82 0.00 0.00 70.33 67.78 3i4m n THR 1394CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i4m n GLY 1395N 1.05 -0.72 0.46 3.41 0.00 -1.26 -4.84 105.19 103.28 3i4m n GLY 1395Ca 0.09 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 3i4m n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m h ALA 1396N -0.29 -1.21 -0.95 4.61 0.00 -1.89 -2.95 119.26 116.57 3i4m h ALA 1396Ca -0.47 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.40 3i4m h ALA 1396Cb 1.34 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 19.55 3i4m h ALA 1396CO 0.46 -1.18 -0.29 1.28 0.00 0.00 0.00 179.25 179.51 3i4m n LEU 1397N -5.20 -0.46 0.09 0.00 4.77 -1.26 -0.68 117.00 114.26 3i4m n LEU 1397Ca -0.13 1.65 -0.12 0.00 -0.03 0.00 0.00 56.01 57.38 3i4m n LEU 1397Cb 0.44 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3i4m n LEU 1397CO 0.29 -1.54 0.67 -0.03 -1.33 0.00 0.00 177.39 175.45 3i4m h MET 1398N 0.00 -0.46 0.00 3.23 4.05 -1.88 -1.80 114.93 118.06 3i4m h MET 1398Ca 0.40 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.82 3i4m h MET 1398Cb 0.64 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3i4m h MET 1398CO -0.97 -0.31 -0.18 0.00 0.23 0.00 0.00 176.91 175.69 3i4m h ARG 1399N -0.48 0.00 -0.92 0.39 3.08 -1.09 -2.56 114.38 112.80 3i4m h ARG 1399Ca 0.04 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.23 3i4m h ARG 1399Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3i4m h ARG 1399CO -0.20 0.18 0.59 0.00 -1.07 0.00 0.00 179.97 179.47 3i4m n SER 1401N -4.58 4.93 -2.72 0.00 3.41 -0.96 -2.93 113.62 110.77 3i4m n SER 1401Ca 0.18 -2.38 -0.06 0.00 -0.26 0.00 0.00 58.87 56.35 3i4m n SER 1401Cb 0.42 -1.00 0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3i4m n SER 1401CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i4m n PHE 1402N 1.21 -2.31 0.00 7.33 7.35 -0.85 -4.93 117.46 125.26 3i4m n PHE 1402Ca 0.02 -1.26 0.00 0.00 -0.76 0.00 0.00 57.45 55.45 3i4m n PHE 1402Cb 0.51 1.37 0.00 0.00 0.35 0.00 0.00 39.48 41.71 3i4m n PHE 1402CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3i4m n GLU 1403N 1.90 0.00 0.05 -4.13 1.02 -1.26 -4.68 120.64 113.54 3i4m n GLU 1403Ca 0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3i4m n GLU 1403Cb 0.64 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.14 3i4m n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i4m n GLU 1404N 0.00 0.33 0.00 3.49 -0.58 -1.26 -4.87 120.64 117.75 3i4m n GLU 1404Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3i4m n GLU 1404Cb 0.00 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3i4m n GLU 1404CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i4m n THR 1405N -2.10 0.00 0.21 2.62 -1.04 -1.15 -0.67 114.28 112.14 3i4m n THR 1405Ca 0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 3i4m n THR 1405Cb 0.45 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.92 3i4m n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i4m h VAL 1406N 0.00 0.00 -0.81 12.58 2.07 -1.87 -3.15 116.25 125.07 3i4m h VAL 1406Ca 0.00 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.70 3i4m h VAL 1406Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 3i4m h VAL 1406CO 0.00 0.00 -0.10 -0.62 0.02 0.00 0.00 177.57 176.87 3i4m n GLU 1407N -3.43 -0.07 -0.37 1.57 1.02 0.15 0.35 120.64 119.87 3i4m n GLU 1407Ca -0.07 1.23 0.01 0.00 -0.02 0.00 0.00 57.16 58.32 3i4m n GLU 1407Cb 0.21 -1.90 0.15 0.00 -0.02 0.00 0.00 31.44 29.88 3i4m n GLU 1407CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3i4m h ILE 1408N 0.00 1.15 0.02 -3.67 2.10 -1.34 -2.11 117.51 113.66 3i4m h ILE 1408Ca 0.44 -0.42 -0.00 0.00 1.08 0.00 0.00 64.86 65.95 3i4m h ILE 1408Cb 0.79 -0.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 3i4m h ILE 1408CO -0.80 0.23 -0.01 -0.07 -1.08 0.00 0.00 178.15 176.42 3i4m h LEU 1409N 1.24 -0.03 -0.92 2.19 3.38 -0.07 -2.79 115.31 118.31 3i4m h LEU 1409Ca 0.41 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3i4m h LEU 1409Cb 0.05 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.69 3i4m h LEU 1409CO -0.14 0.42 -0.54 -0.26 0.09 0.00 0.00 178.44 178.01 3i4m h PHE 1410N -0.48 -1.71 0.00 1.13 0.05 -0.87 1.38 116.94 116.44 3i4m h PHE 1410Ca -0.00 0.12 0.00 0.00 3.82 0.00 0.00 57.97 61.91 3i4m h PHE 1410Cb 0.45 0.87 0.00 0.00 2.00 0.00 0.00 35.95 39.27 3i4m h PHE 1410CO 0.08 -0.39 0.00 1.49 -0.18 0.00 0.00 178.31 179.31 3i4m h GLU 1411N -0.05 0.00 -0.03 1.51 4.22 -1.38 -1.48 114.58 117.36 3i4m h GLU 1411Ca 0.18 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.48 3i4m h GLU 1411Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3i4m h GLU 1411CO -0.90 0.00 -0.54 0.00 -2.18 0.00 0.00 179.01 175.39 3i4m h ALA 1412N 1.99 0.11 0.00 2.92 0.00 0.21 -1.59 119.26 122.91 3i4m h ALA 1412Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3i4m h ALA 1412Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i4m h ALA 1412CO 0.00 0.33 -0.50 0.78 0.00 0.00 0.00 179.25 179.86 3i4m h GLY 1413N -0.07 0.00 0.94 0.00 0.00 -0.54 0.19 103.07 103.59 3i4m h GLY 1413Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 3i4m h GLY 1413CO 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.46 3i4m h ALA 1414N 1.50 0.44 -0.76 3.60 0.00 -1.37 -3.09 119.26 119.58 3i4m h ALA 1414Ca -0.01 -0.35 -0.40 0.00 0.00 0.00 0.00 54.91 54.15 3i4m h ALA 1414Cb 0.89 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.34 3i4m h ALA 1414CO 0.07 0.37 0.37 0.43 0.00 0.00 0.00 179.25 180.48 3i4m n SER 1415N -4.35 3.43 -3.71 0.00 7.64 -0.60 -4.66 113.62 111.37 3i4m n SER 1415Ca -0.03 -3.69 -0.03 0.00 1.01 0.00 0.00 58.87 56.13 3i4m n SER 1415Cb 0.41 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3i4m n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n ALA 1416N -1.13 -1.10 -0.62 -0.43 0.00 0.53 -4.86 120.51 112.91 3i4m n ALA 1416Ca 0.50 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 3i4m n ALA 1416Cb 1.39 -0.15 0.26 0.00 0.00 0.00 0.00 19.45 20.95 3i4m n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i4m s GLU 1417N -5.04 -1.51 -0.01 0.00 2.02 -0.29 -4.68 118.70 109.19 3i4m s GLU 1417Ca 0.03 0.47 0.01 0.00 0.02 0.00 0.00 54.97 55.50 3i4m s GLU 1417Cb -0.02 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.70 3i4m s GLU 1417CO 0.06 -4.02 -0.04 -1.17 0.02 0.00 0.00 175.26 170.11 3i4m s LEU 1418N -7.33 1.94 -0.18 1.80 2.96 -1.26 -1.90 118.68 114.72 3i4m s LEU 1418Ca 0.68 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3i4m s LEU 1418Cb -0.19 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.28 3i4m s LEU 1418CO 0.61 0.04 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.88 3i4m s ASP 1419N -0.01 3.25 0.29 3.68 -1.08 0.92 -4.72 116.67 118.99 3i4m s ASP 1419Ca 0.01 -0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 3i4m s ASP 1419Cb -0.03 -1.50 0.40 0.00 -1.46 0.00 0.00 42.92 40.33 3i4m s ASP 1419CO -0.00 0.01 1.95 0.44 0.52 0.00 0.00 175.17 178.09 3i4m h ASP 1420N 7.86 0.99 -1.95 -0.34 3.32 -1.89 -1.02 116.42 123.39 3i4m h ASP 1420Ca -0.44 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 3i4m h ASP 1420Cb 1.15 -0.25 0.03 0.00 0.22 0.00 0.00 39.33 40.48 3i4m h ASP 1420CO 0.62 0.73 -0.13 0.00 -1.72 0.00 0.00 179.24 178.74 3i4m n ARG 1422N -1.36 0.44 -2.29 0.00 1.74 -1.26 -4.78 116.66 109.15 3i4m n ARG 1422Ca -0.00 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 3i4m n ARG 1422Cb 0.51 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3i4m n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i4m s GLY 1423N -4.00 2.61 0.07 -0.13 0.00 -1.26 -4.66 107.32 99.94 3i4m s GLY 1423Ca -0.01 1.04 -0.17 0.00 0.00 0.00 0.00 44.72 45.58 3i4m s GLY 1423CO 0.87 1.95 1.29 -2.08 0.00 0.00 0.00 173.10 175.12 3i4m h VAL 1424N 3.67 0.00 -0.56 1.40 2.07 -1.93 -1.68 116.25 119.22 3i4m h VAL 1424Ca -0.45 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.18 3i4m h VAL 1424Cb 1.21 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 3i4m h VAL 1424CO 0.75 0.00 -0.16 0.28 0.02 0.00 0.00 177.57 178.46 3i4m h SER 1425N -0.18 -0.57 -0.83 0.57 0.02 -1.95 -2.62 113.55 107.99 3i4m h SER 1425Ca 0.05 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.27 3i4m h SER 1425Cb 0.30 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 63.09 3i4m h SER 1425CO -0.34 -0.20 -0.42 -0.62 -1.14 0.00 0.00 176.83 174.11 3i4m n GLU 1426N -5.40 -0.29 0.52 3.45 -0.58 -0.64 -0.97 120.64 116.73 3i4m n GLU 1426Ca 0.06 1.27 -0.20 0.00 -0.42 0.00 0.00 57.16 57.86 3i4m n GLU 1426Cb 0.30 -1.87 -0.10 0.00 -0.57 0.00 0.00 31.44 29.20 3i4m n GLU 1426CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3i4m h ASN 1427N 0.00 -1.13 -0.60 1.62 2.35 -1.38 -0.40 115.58 116.03 3i4m h ASN 1427Ca 0.20 0.04 0.14 0.00 -0.55 0.00 0.00 56.30 56.13 3i4m h ASN 1427Cb 0.41 0.29 -0.11 0.00 0.05 0.00 0.00 38.32 38.96 3i4m h ASN 1427CO -0.80 -0.81 -0.07 0.52 -1.65 0.00 0.00 177.43 174.62 3i4m n VAL 1428N -5.58 -0.25 0.08 2.81 0.31 -0.14 0.31 118.33 115.86 3i4m n VAL 1428Ca -0.17 1.35 -0.13 0.00 -0.01 0.00 0.00 64.34 65.39 3i4m n VAL 1428Cb 0.53 -1.92 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 3i4m n VAL 1428CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i4m h ILE 1429N 0.00 0.96 0.00 2.52 2.04 -1.16 -3.05 117.51 118.81 3i4m h ILE 1429Ca 0.32 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3i4m h ILE 1429Cb 0.59 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3i4m h ILE 1429CO -0.59 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 177.68 3i4m h LEU 1430N -0.67 0.00 -0.03 1.44 3.38 0.67 -3.46 115.31 116.65 3i4m h LEU 1430Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3i4m h LEU 1430Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i4m h LEU 1430CO 0.04 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.10 3i4m n GLY 1431N -0.99 0.41 3.59 0.83 0.00 0.58 -5.02 105.19 104.60 3i4m n GLY 1431Ca -0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 3i4m n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i4m s GLN 1432N -4.47 2.12 0.06 1.61 -0.21 -1.15 -5.01 119.66 112.61 3i4m s GLN 1432Ca 0.03 -1.41 -0.31 0.00 0.02 0.00 0.00 55.36 53.68 3i4m s GLN 1432Cb -0.01 -2.10 -0.06 0.00 1.00 0.00 0.00 33.01 31.83 3i4m s GLN 1432CO 0.03 0.39 1.32 1.41 -2.12 0.00 0.00 175.29 176.32 3i4m s MET 1433N -3.34 4.35 0.03 2.91 -2.45 -1.26 -4.30 119.30 115.23 3i4m s MET 1433Ca 0.29 1.93 -0.17 0.00 -1.25 0.00 0.00 55.69 56.49 3i4m s MET 1433Cb -0.07 -3.38 -0.06 0.00 1.25 0.00 0.00 34.83 32.57 3i4m s MET 1433CO 0.17 -0.42 0.49 0.00 1.05 0.00 0.00 175.02 176.32 3i4m s ALA 1434N 1.48 3.63 -0.08 4.11 0.00 -1.26 -4.92 121.76 124.72 3i4m s ALA 1434Ca 0.62 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 3i4m s ALA 1434Cb -0.33 -2.52 -0.23 0.00 0.00 0.00 0.00 23.12 20.04 3i4m s ALA 1434CO 0.28 0.41 1.24 -2.30 0.00 0.00 0.00 175.76 175.40 3i4m n PRO 1435N 1.90 0.01 -3.77 0.00 -0.02 -1.26 -4.31 135.00 127.54 3i4m n PRO 1435Ca -0.12 -0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 60.55 3i4m n PRO 1435Cb 0.52 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 3i4m n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i4m s ILE 1436N 6.15 -0.04 0.00 4.25 1.01 -1.25 -4.70 121.20 126.62 3i4m s ILE 1436Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3i4m s ILE 1436Cb 0.08 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.37 3i4m s ILE 1436CO 0.21 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3i4m n GLY 1437N 3.94 1.05 0.00 6.18 0.00 -0.88 0.30 105.19 115.79 3i4m n GLY 1437Ca -0.24 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i4m n GLY 1437CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i4m n THR 1438N 0.00 0.28 -0.72 2.61 -1.04 -1.26 0.39 114.28 114.54 3i4m n THR 1438Ca 0.00 0.24 0.04 0.00 -2.04 0.00 0.00 64.05 62.29 3i4m n THR 1438Cb 0.00 -1.24 0.06 0.00 -1.82 0.00 0.00 70.33 67.33 3i4m n THR 1438CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i4m n GLY 1439N -0.88 3.13 1.47 3.41 0.00 0.87 -4.71 105.19 108.48 3i4m n GLY 1439Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 3i4m n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m n ALA 1440N -0.83 3.75 -3.59 4.61 0.00 0.16 -3.82 120.51 120.79 3i4m n ALA 1440Ca 0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 53.44 52.22 3i4m n ALA 1440Cb 0.48 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 3i4m n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3i4m s PHE 1441N -1.65 -0.13 0.39 0.00 -0.12 -1.26 -5.02 117.98 110.19 3i4m s PHE 1441Ca 0.27 0.09 0.08 0.00 -0.05 0.00 0.00 56.93 57.31 3i4m s PHE 1441Cb 0.22 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 43.11 3i4m s PHE 1441CO 0.06 -0.21 0.41 -0.51 -0.05 0.00 0.00 175.22 174.93 3i4m s ASP 1442N -2.13 5.32 -0.06 1.98 1.01 -1.26 -5.11 116.67 116.43 3i4m s ASP 1442Ca 0.09 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 52.79 3i4m s ASP 1442Cb -0.01 -0.73 0.02 0.00 1.01 0.00 0.00 42.92 43.21 3i4m s ASP 1442CO -0.05 -0.59 -0.05 -0.69 0.21 0.00 0.00 175.17 174.00 3i4m s VAL 1443N -2.38 0.61 0.23 -1.27 1.01 -1.26 -5.14 120.40 112.20 3i4m s VAL 1443Ca 0.48 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.43 3i4m s VAL 1443Cb -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3i4m s VAL 1443CO 0.29 0.26 -0.19 -0.04 0.00 0.00 0.00 175.10 175.42 3i4m s MET 1444N 1.18 1.51 -0.26 2.72 -1.94 -1.26 -5.11 119.30 116.13 3i4m s MET 1444Ca -0.07 -1.65 -0.14 0.00 -1.71 0.00 0.00 55.69 52.13 3i4m s MET 1444Cb -0.14 -1.53 -0.04 0.00 2.01 0.00 0.00 34.83 35.13 3i4m s MET 1444CO -0.01 0.29 0.32 0.42 -0.01 0.00 0.00 175.02 176.03 3i4m s ILE 1445N -2.50 5.22 -0.73 2.53 1.09 -1.26 -5.03 121.20 120.52 3i4m s ILE 1445Ca 0.25 0.48 -0.15 0.00 -1.10 0.00 0.00 60.65 60.13 3i4m s ILE 1445Cb -0.04 -3.65 0.18 0.00 -1.06 0.00 0.00 42.46 37.88 3i4m s ILE 1445CO 0.11 0.20 0.71 -0.62 -0.10 0.00 0.00 174.94 175.24 3i4m s ASP 1446N 1.55 6.53 0.06 3.58 3.68 -1.26 -4.94 116.67 125.88 3i4m s ASP 1446Ca 0.13 -2.27 -0.09 0.00 2.13 0.00 0.00 52.55 52.45 3i4m s ASP 1446Cb -0.16 -2.23 0.02 0.00 -1.45 0.00 0.00 42.92 39.10 3i4m s ASP 1446CO 0.09 -0.74 0.53 1.21 0.13 0.00 0.00 175.17 176.40 3i4m n GLU 1447N 4.73 -0.12 0.00 4.34 2.13 -1.26 -1.21 120.64 129.25 3i4m n GLU 1447Ca 0.04 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3i4m n GLU 1447Cb 0.45 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.38 3i4m n GLU 1447CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3i4m n GLU 1448N -4.46 0.00 -0.28 5.31 1.02 -1.26 -0.46 120.64 120.51 3i4m n GLU 1448Ca 0.02 0.20 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 3i4m n GLU 1448Cb 0.11 -0.61 0.10 0.00 -0.02 0.00 0.00 31.44 31.02 3i4m n GLU 1448CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i4m n SER 1449N -0.44 -0.29 -0.41 1.62 3.41 -0.35 0.92 113.62 118.08 3i4m n SER 1449Ca 0.00 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3i4m n SER 1449Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3i4m n SER 1449CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3i4m n LEU 1450N -5.23 0.08 0.00 1.04 7.94 0.39 -1.69 117.00 119.52 3i4m n LEU 1450Ca 0.12 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3i4m n LEU 1450Cb 0.37 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.28 3i4m n LEU 1450CO -0.09 0.02 -0.21 0.52 -1.11 0.00 0.00 177.39 176.52 3i4m n VAL 1451N 0.29 0.00 0.33 1.96 0.31 0.26 -4.67 118.33 116.81 3i4m n VAL 1451Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3i4m n VAL 1451Cb 0.02 -0.58 0.15 0.00 -0.91 0.00 0.00 33.84 32.52 3i4m n VAL 1451CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i4m n LYS 1452N -2.34 0.16 -3.77 5.55 5.02 -0.68 -3.68 118.16 118.43 3i4m n LYS 1452Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3i4m n LYS 1452Cb 0.21 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 3i4m n LYS 1452CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3i4m s TYR 1453N -2.00 3.36 0.00 2.13 4.12 -1.08 -4.98 117.35 118.90 3i4m s TYR 1453Ca 0.08 -2.83 0.00 0.00 0.02 0.00 0.00 57.07 54.34 3i4m s TYR 1453Cb 0.04 -3.12 0.00 0.00 -1.52 0.00 0.00 41.96 37.36 3i4m s TYR 1453CO 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 175.55 174.81 3i4m n MET 1454N 3.36 0.00 0.00 -0.62 0.00 -1.24 -4.97 117.12 113.65 3i4m n MET 1454Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 57.70 57.92 3i4m n MET 1454Cb 0.36 0.00 0.86 0.00 0.00 0.00 0.00 33.22 34.45 3i4m n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62