#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1b h ALA 63 N 0.00 1.22 0.00 3.55 0.00 -2.04 0.46 119.26 122.45 1n1b h ALA 63 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n1b h ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n1b h ALA 63 CO 0.00 -0.16 -0.14 -0.07 0.00 0.00 0.00 179.25 178.88 1n1b h LEU 64 N 0.00 0.00 -5.68 0.00 3.38 -2.06 -3.37 115.31 107.58 1n1b h LEU 64 Ca 0.01 -0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.26 1n1b h LEU 64 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1n1b h LEU 64 CO -0.00 0.00 2.96 0.79 0.09 0.00 0.00 178.44 182.28 1n1b n TRP 65 N -2.96 2.81 -2.91 1.13 8.01 0.16 -4.53 117.44 119.16 1n1b n TRP 65 Ca 0.04 -2.94 -0.09 0.00 -1.31 0.00 0.00 57.50 53.20 1n1b n TRP 65 Cb 0.52 -2.23 0.03 0.00 -2.01 0.00 0.00 31.31 27.63 1n1b n TRP 65 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1n1b n ASP 66 N 3.71 0.84 -0.29 -0.99 5.75 -1.26 -4.87 116.55 119.45 1n1b n ASP 66 Ca 0.61 -1.63 0.03 0.00 -0.01 0.00 0.00 54.79 53.79 1n1b n ASP 66 Cb 0.30 -0.20 0.16 0.00 -1.03 0.00 0.00 41.12 40.35 1n1b n ASP 66 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1n1b h SER 67 N -0.01 0.65 -0.17 -1.12 0.87 -1.95 -1.54 113.55 110.29 1n1b h SER 67 Ca -0.12 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1n1b h SER 67 Cb 0.53 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1n1b h SER 67 CO 0.16 0.37 0.09 0.78 -0.53 0.00 0.00 176.83 177.70 1n1b h ASN 68 N 0.77 0.22 -0.12 6.23 2.35 -1.94 -1.60 115.58 121.48 1n1b h ASN 68 Ca 0.39 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1n1b h ASN 68 Cb 0.36 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1n1b h ASN 68 CO -0.25 0.27 0.04 0.22 -1.65 0.00 0.00 177.43 176.06 1n1b h TYR 69 N 0.15 0.07 -0.24 1.19 3.20 -1.68 -1.75 116.97 117.92 1n1b h TYR 69 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1n1b h TYR 69 Cb 0.10 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1n1b h TYR 69 CO -0.03 0.04 0.15 0.82 -1.64 0.00 0.00 178.16 177.49 1n1b h ILE 70 N 0.10 1.08 0.00 1.81 2.04 -1.21 -2.42 117.51 118.90 1n1b h ILE 70 Ca 0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1n1b h ILE 70 Cb 0.03 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1n1b h ILE 70 CO -0.05 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.74 1n1b h GLN 71 N 0.31 0.00 -0.01 2.37 1.08 -1.22 -2.42 115.11 115.22 1n1b h GLN 71 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1n1b h GLN 71 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1n1b h GLN 71 CO -0.02 0.00 -0.11 -1.13 -0.95 0.00 0.00 178.83 176.62 1n1b n SER 72 N -2.70 0.65 -4.73 1.46 3.41 -0.67 -4.89 113.62 106.15 1n1b n SER 72 Ca 0.01 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 1n1b n SER 72 Cb 0.28 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1n1b n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n1b s LEU 73 N -2.38 4.36 -0.02 1.04 1.43 -0.91 -5.00 118.68 117.20 1n1b s LEU 73 Ca 0.31 2.91 0.01 0.00 -1.03 0.00 0.00 54.13 56.33 1n1b s LEU 73 Cb 0.20 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1n1b s LEU 73 CO 0.46 -0.95 -0.05 0.21 0.23 0.00 0.00 176.35 176.25 1n1b s ASN 74 N 0.86 0.70 -0.17 2.29 3.84 -1.26 -5.11 114.94 116.10 1n1b s ASN 74 Ca 0.69 -0.10 -0.16 0.00 0.21 0.00 0.00 52.86 53.50 1n1b s ASN 74 Cb -0.49 -0.18 0.04 0.00 -0.55 0.00 0.00 41.25 40.08 1n1b s ASN 74 CO 0.39 0.02 0.45 0.28 -2.79 0.00 0.00 177.10 175.46 1n1b s THR 75 N 0.23 0.00 -0.94 -5.21 -1.32 -1.26 -5.05 115.64 102.09 1n1b s THR 75 Ca -0.02 -0.01 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 1n1b s THR 75 Cb -0.06 -0.63 0.17 0.00 -1.51 0.00 0.00 72.50 70.46 1n1b s THR 75 CO -0.00 -0.00 1.72 -2.65 -2.21 0.00 0.00 174.62 171.48 1n1b n PRO 76 N 2.80 0.06 -0.04 7.08 -0.02 -1.26 -4.42 135.00 139.21 1n1b n PRO 76 Ca -0.13 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1n1b n PRO 76 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1n1b n PRO 76 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n1b n TYR 77 N -1.65 0.00 0.23 6.00 4.02 -1.26 -2.17 117.16 122.33 1n1b n TYR 77 Ca 0.06 -0.32 0.02 0.00 -0.01 0.00 0.00 57.90 57.65 1n1b n TYR 77 Cb 0.36 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1n1b n TYR 77 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1n1b n THR 78 N 0.84 0.00 -2.48 -0.72 -2.24 -1.26 -4.54 114.28 103.88 1n1b n THR 78 Ca 0.00 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1n1b n THR 78 Cb 0.29 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 1n1b n THR 78 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n1b s GLU 79 N -1.11 4.28 0.41 -0.78 2.02 -0.92 -4.96 118.70 117.64 1n1b s GLU 79 Ca 0.03 1.66 0.12 0.00 0.02 0.00 0.00 54.97 56.80 1n1b s GLU 79 Cb 0.04 -2.76 0.94 0.00 0.10 0.00 0.00 34.13 32.46 1n1b s GLU 79 CO 0.16 -0.07 1.95 0.93 0.02 0.00 0.00 175.26 178.24 1n1b h GLU 80 N 2.91 0.51 -0.56 1.61 5.08 -1.96 -2.36 114.58 119.82 1n1b h GLU 80 Ca -0.48 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1n1b h GLU 80 Cb 1.22 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1n1b h GLU 80 CO 0.64 0.34 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.74 1n1b h ARG 81 N 0.53 -0.02 -0.52 2.33 2.43 -1.96 0.33 114.38 117.49 1n1b h ARG 81 Ca 0.32 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1n1b h ARG 81 Cb 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1n1b h ARG 81 CO -0.11 -0.01 -0.08 0.45 -1.51 0.00 0.00 179.97 178.71 1n1b h HIS 82 N -0.02 1.05 -0.70 2.20 3.86 -1.80 -2.24 115.15 117.51 1n1b h HIS 82 Ca 0.27 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1n1b h HIS 82 Cb 0.42 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1n1b h HIS 82 CO -0.48 0.98 0.16 -0.07 0.86 0.00 0.00 177.93 179.38 1n1b h LEU 83 N 0.86 1.06 -0.46 2.43 3.38 -0.96 -1.15 115.31 120.47 1n1b h LEU 83 Ca 0.14 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1n1b h LEU 83 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1n1b h LEU 83 CO 0.04 1.02 -0.14 0.44 0.09 0.00 0.00 178.44 179.90 1n1b h ASP 84 N 1.06 0.91 -0.57 -0.43 3.32 -0.29 -2.00 116.42 118.43 1n1b h ASP 84 Ca 0.22 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1n1b h ASP 84 Cb 0.38 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1n1b h ASP 84 CO 0.00 1.08 0.11 -0.09 -1.72 0.00 0.00 179.24 178.62 1n1b h ARG 85 N 0.74 0.97 0.04 3.56 2.43 -1.22 -1.18 114.38 119.72 1n1b h ARG 85 Ca 0.11 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1n1b h ARG 85 Cb 0.69 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1n1b h ARG 85 CO 0.05 0.88 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.14 1n1b h LYS 86 N 0.91 -0.08 -1.01 0.20 3.64 -1.01 0.05 116.57 119.27 1n1b h LYS 86 Ca 0.19 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1n1b h LYS 86 Cb 0.38 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1n1b h LYS 86 CO 0.01 -0.05 0.65 0.00 -2.27 0.00 0.00 179.45 177.78 1n1b h ALA 87 N 0.87 1.40 -0.03 5.00 0.00 -1.05 -0.64 119.26 124.81 1n1b h ALA 87 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n1b h ALA 87 Cb 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1n1b h ALA 87 CO -0.01 0.45 0.01 0.93 0.00 0.00 0.00 179.25 180.63 1n1b h GLU 88 N 1.18 0.05 -0.83 0.00 5.08 -0.67 -2.17 114.58 117.22 1n1b h GLU 88 Ca 0.43 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 1n1b h GLU 88 Cb 0.17 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1n1b h GLU 88 CO -0.17 0.22 0.55 -0.07 -1.00 0.00 0.00 179.01 178.53 1n1b h LEU 89 N -0.13 0.84 -1.14 1.33 3.38 -0.50 -0.73 115.31 118.36 1n1b h LEU 89 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1n1b h LEU 89 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1n1b h LEU 89 CO -0.00 0.55 0.03 0.40 0.09 0.00 0.00 178.44 179.51 1n1b h ILE 90 N 0.96 1.21 -0.16 1.22 2.04 -0.86 0.37 117.51 122.28 1n1b h ILE 90 Ca 0.35 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1n1b h ILE 90 Cb 0.16 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1n1b h ILE 90 CO -0.12 0.29 0.02 0.58 0.00 0.00 0.00 178.15 178.92 1n1b h VAL 91 N 0.60 1.23 -0.38 1.67 2.07 -0.51 -1.27 116.25 119.66 1n1b h VAL 91 Ca 0.13 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1n1b h VAL 91 Cb 0.34 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1n1b h VAL 91 CO 0.01 0.22 0.22 1.56 0.02 0.00 0.00 177.57 179.60 1n1b h GLN 92 N 0.05 0.52 -0.39 1.57 1.08 -0.98 -2.70 115.11 114.25 1n1b h GLN 92 Ca 0.05 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1n1b h GLN 92 Cb 0.32 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1n1b h GLN 92 CO 0.00 0.40 -0.03 0.28 -0.95 0.00 0.00 178.83 178.53 1n1b h VAL 93 N 0.49 1.23 -0.98 -0.54 2.07 -0.87 -2.27 116.25 115.38 1n1b h VAL 93 Ca 0.13 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1n1b h VAL 93 Cb 0.02 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1n1b h VAL 93 CO -0.02 0.32 0.64 -0.09 0.02 0.00 0.00 177.57 178.44 1n1b h ARG 94 N 0.59 1.24 -0.27 1.57 2.43 -0.95 -1.47 114.38 117.52 1n1b h ARG 94 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1n1b h ARG 94 Cb 0.43 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1n1b h ARG 94 CO 0.02 0.82 0.17 0.82 -1.51 0.00 0.00 179.97 180.28 1n1b h ILE 95 N 1.27 1.04 -0.47 1.20 2.04 -1.11 -2.64 117.51 118.85 1n1b h ILE 95 Ca 0.38 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.13 1n1b h ILE 95 Cb -0.06 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1n1b h ILE 95 CO -0.10 0.06 0.29 -0.07 0.00 0.00 0.00 178.15 178.33 1n1b h LEU 96 N 0.34 0.49 -2.46 1.44 3.38 -1.11 -2.17 115.31 115.22 1n1b h LEU 96 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n1b h LEU 96 Cb -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1n1b h LEU 96 CO -0.04 0.35 -0.02 0.25 0.09 0.00 0.00 178.44 179.07 1n1b h LEU 97 N 0.59 0.00 0.00 1.67 5.85 -1.04 -2.75 115.31 119.63 1n1b h LEU 97 Ca 0.18 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.69 1n1b h LEU 97 Cb -0.02 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1n1b h LEU 97 CO -0.06 0.02 -1.54 0.29 -0.34 0.00 0.00 178.44 176.81 1n1b n LYS 98 N -3.71 0.63 -1.37 1.25 5.02 -0.86 -4.98 118.16 114.14 1n1b n LYS 98 Ca -0.03 0.24 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 1n1b n LYS 98 Cb 0.10 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1n1b n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1n1b n GLU 99 N -2.93 0.41 -1.69 1.97 1.02 -0.94 -4.85 120.64 113.62 1n1b n GLU 99 Ca -0.12 0.17 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 1n1b n GLU 99 Cb 0.91 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1n1b n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n1b n LYS 100 N -0.25 2.11 -3.53 3.49 5.02 -1.26 -4.95 118.16 118.78 1n1b n LYS 100 Ca 0.11 0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 57.05 1n1b n LYS 100 Cb 0.49 -2.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 1n1b n LYS 100 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1n1b s MET 101 N -1.71 0.91 0.33 1.97 1.75 -1.26 -5.15 119.30 116.13 1n1b s MET 101 Ca 0.57 -0.36 -0.27 0.00 -1.25 0.00 0.00 55.69 54.38 1n1b s MET 101 Cb -0.58 0.40 -0.09 0.00 2.84 0.00 0.00 34.83 37.40 1n1b s MET 101 CO 0.61 -0.40 1.02 -1.21 -0.65 0.00 0.00 175.02 174.39 1n1b s GLU 102 N -3.20 4.48 0.24 4.11 0.41 -1.26 -4.89 118.70 118.60 1n1b s GLU 102 Ca 0.05 1.55 -0.07 0.00 -0.41 0.00 0.00 54.97 56.09 1n1b s GLU 102 Cb -0.01 -2.87 0.43 0.00 -1.78 0.00 0.00 34.13 29.89 1n1b s GLU 102 CO -0.08 0.14 1.65 -1.35 -0.49 0.00 0.00 175.26 175.13 1n1b h PRO 103 N 3.23 0.14 -0.74 0.39 0.11 -2.01 0.20 132.00 133.32 1n1b h PRO 103 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1n1b h PRO 103 Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1n1b h PRO 103 CO 0.65 0.09 0.49 -0.24 -0.21 0.00 0.00 178.00 178.78 1n1b h VAL 104 N 0.15 1.19 -0.21 3.15 3.04 -1.99 -1.33 116.25 120.25 1n1b h VAL 104 Ca 0.40 -0.36 -0.11 0.00 -1.01 0.00 0.00 66.70 65.63 1n1b h VAL 104 Cb 0.70 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 1n1b h VAL 104 CO -0.60 0.19 -0.34 1.56 -1.01 0.00 0.00 177.57 177.37 1n1b h GLN 105 N 1.01 0.43 -0.39 4.17 4.20 -1.05 -1.78 115.11 121.69 1n1b h GLN 105 Ca 0.27 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1n1b h GLN 105 Cb -0.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1n1b h GLN 105 CO -0.06 0.72 -0.04 1.96 -0.67 0.00 0.00 178.83 180.74 1n1b h GLN 106 N 0.37 0.73 -0.57 1.46 4.20 -0.07 -1.74 115.11 119.49 1n1b h GLN 106 Ca 0.04 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1n1b h GLN 106 Cb 0.78 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1n1b h GLN 106 CO 0.06 0.84 0.26 -0.07 -0.67 0.00 0.00 178.83 179.25 1n1b h LEU 107 N 0.54 0.76 -0.72 1.46 3.38 -1.15 -0.92 115.31 118.67 1n1b h LEU 107 Ca 0.11 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1n1b h LEU 107 Cb 0.54 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1n1b h LEU 107 CO 0.03 0.70 0.17 -0.33 0.09 0.00 0.00 178.44 179.10 1n1b h GLU 108 N 0.78 1.15 -0.43 1.13 5.08 -1.23 -0.29 114.58 120.76 1n1b h GLU 108 Ca 0.19 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1n1b h GLU 108 Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1n1b h GLU 108 CO -0.02 1.01 -0.23 1.25 -1.00 0.00 0.00 179.01 180.01 1n1b h LEU 109 N 1.08 0.95 -0.27 1.33 5.85 -1.13 -0.50 115.31 122.63 1n1b h LEU 109 Ca 0.22 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1n1b h LEU 109 Cb 0.38 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1n1b h LEU 109 CO 0.00 1.16 0.16 0.40 -0.34 0.00 0.00 178.44 179.82 1n1b h ILE 110 N 0.75 1.10 -0.78 4.05 2.04 -0.94 -0.89 117.51 122.84 1n1b h ILE 110 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1n1b h ILE 110 Cb 0.81 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1n1b h ILE 110 CO 0.07 0.10 0.48 -0.74 0.00 0.00 0.00 178.15 178.06 1n1b h HIS 111 N 0.34 1.01 -0.20 1.37 2.76 -0.90 -1.06 115.15 118.47 1n1b h HIS 111 Ca 0.10 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1n1b h HIS 111 Cb 0.01 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1n1b h HIS 111 CO -0.04 0.67 0.12 -0.44 -1.30 0.00 0.00 177.93 176.93 1n1b h ASP 112 N 1.06 0.19 -0.77 3.26 3.32 -0.64 -2.50 116.42 120.35 1n1b h ASP 112 Ca 0.28 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.35 1n1b h ASP 112 Cb -0.07 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1n1b h ASP 112 CO -0.06 0.14 0.50 -0.07 -1.72 0.00 0.00 179.24 178.04 1n1b h LEU 113 N 0.24 0.86 0.30 1.55 3.38 -0.80 -2.14 115.31 118.69 1n1b h LEU 113 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n1b h LEU 113 Cb -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1n1b h LEU 113 CO -0.03 0.61 -0.34 0.50 0.09 0.00 0.00 178.44 179.26 1n1b h LYS 114 N 1.01 -0.66 0.00 1.13 3.64 -0.87 0.15 116.57 120.97 1n1b h LYS 114 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1n1b h LYS 114 Cb -0.08 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1n1b h LYS 114 CO -0.08 -0.44 0.00 0.66 -2.27 0.00 0.00 179.45 177.32 1n1b n TYR 115 N -5.45 0.00 1.06 1.91 4.02 -0.97 -1.66 117.16 116.07 1n1b n TYR 115 Ca -0.09 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.92 1n1b n TYR 115 Cb 0.35 -0.02 0.14 0.00 -0.02 0.00 0.00 39.34 39.79 1n1b n TYR 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n1b n LEU 116 N -1.02 2.60 -1.08 7.72 4.77 -0.81 -4.65 117.00 124.52 1n1b n LEU 116 Ca 0.22 -0.88 -0.08 0.00 -0.03 0.00 0.00 56.01 55.24 1n1b n LEU 116 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1n1b n LEU 116 CO 0.17 0.44 -0.05 0.61 -1.33 0.00 0.00 177.39 177.23 1n1b n GLY 117 N 1.34 0.14 0.00 -0.72 0.00 -0.67 -4.82 105.19 100.46 1n1b n GLY 117 Ca 0.14 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1n1b n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n1b n LEU 118 N -1.38 0.14 0.09 0.99 4.77 0.50 -4.70 117.00 117.41 1n1b n LEU 118 Ca -0.07 -0.43 0.18 0.00 -0.03 0.00 0.00 56.01 55.66 1n1b n LEU 118 Cb 0.56 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.37 1n1b n LEU 118 CO 0.14 0.04 1.16 0.77 -1.33 0.00 0.00 177.39 178.16 1n1b h SER 119 N 0.00 0.00 0.29 -1.43 4.64 -1.75 -1.54 113.55 113.76 1n1b h SER 119 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1b h SER 119 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1n1b h SER 119 CO 0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 1n1b h ASP 120 N 0.00 0.00 0.28 4.97 3.32 -1.90 -1.67 116.42 121.42 1n1b h ASP 120 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1n1b h ASP 120 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1n1b h ASP 120 CO -0.00 0.00 -0.24 0.49 -1.72 0.00 0.00 179.24 177.77 1n1b n PHE 121 N -2.79 0.00 -2.70 4.55 3.01 -0.58 -4.25 117.46 114.70 1n1b n PHE 121 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 1n1b n PHE 121 Cb 0.13 -0.14 0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1n1b n PHE 121 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1n1b n PHE 122 N -0.76 1.49 -0.16 1.38 3.01 -0.63 -4.93 117.46 116.87 1n1b n PHE 122 Ca 0.12 -2.24 -0.08 0.00 1.01 0.00 0.00 57.45 56.27 1n1b n PHE 122 Cb 0.33 -0.26 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 1n1b n PHE 122 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1n1b h GLN 123 N 2.59 0.63 0.02 -1.08 1.08 -1.72 -1.18 115.11 115.45 1n1b h GLN 123 Ca -0.06 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1n1b h GLN 123 Cb 1.29 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1n1b h GLN 123 CO 0.31 0.45 -0.01 -0.44 -0.95 0.00 0.00 178.83 178.19 1n1b h ASP 124 N 0.62 -0.03 -0.59 1.46 3.32 -1.92 -0.37 116.42 118.91 1n1b h ASP 124 Ca 0.17 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1n1b h ASP 124 Cb -0.02 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1n1b h ASP 124 CO -0.03 0.02 0.37 -0.33 -1.72 0.00 0.00 179.24 177.55 1n1b h GLU 125 N -0.07 0.72 -0.11 3.56 3.07 -1.94 -1.35 114.58 118.47 1n1b h GLU 125 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1n1b h GLU 125 Cb 0.06 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1n1b h GLU 125 CO 0.01 0.48 0.05 0.82 -1.40 0.00 0.00 179.01 178.96 1n1b h ILE 126 N 0.75 1.14 -0.32 3.13 2.04 -1.05 -1.05 117.51 122.14 1n1b h ILE 126 Ca 0.23 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1n1b h ILE 126 Cb -0.02 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1n1b h ILE 126 CO -0.08 0.12 0.06 0.11 0.00 0.00 0.00 178.15 178.36 1n1b h LYS 127 N 0.03 0.47 -0.12 2.37 1.57 -0.90 -0.20 116.57 119.79 1n1b h LYS 127 Ca 0.04 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1n1b h LYS 127 Cb 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1n1b h LYS 127 CO -0.00 0.45 -0.09 1.49 -0.57 0.00 0.00 179.45 180.74 1n1b h GLU 128 N 0.46 0.28 -0.48 3.15 4.81 -1.01 -0.31 114.58 121.48 1n1b h GLU 128 Ca 0.11 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1n1b h GLU 128 Cb 0.21 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1n1b h GLU 128 CO -0.00 0.64 0.30 0.82 -0.73 0.00 0.00 179.01 180.05 1n1b h ILE 129 N -0.09 1.14 -0.01 2.32 2.04 -0.90 -1.75 117.51 120.26 1n1b h ILE 129 Ca 0.02 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1n1b h ILE 129 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1n1b h ILE 129 CO 0.02 0.14 -0.27 -0.07 0.00 0.00 0.00 178.15 177.97 1n1b h LEU 130 N 0.64 0.01 0.02 1.44 3.38 -1.00 -1.74 115.31 118.06 1n1b h LEU 130 Ca 0.17 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n1b h LEU 130 Cb -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1n1b h LEU 130 CO -0.03 0.28 -0.01 1.23 0.09 0.00 0.00 178.44 180.00 1n1b h GLY 131 N 0.81 -0.02 0.94 0.83 0.00 -0.22 -0.61 103.07 104.80 1n1b h GLY 131 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1n1b h GLY 131 CO 0.03 -0.01 -0.09 -2.08 0.00 0.00 0.00 176.54 174.40 1n1b h VAL 132 N -0.19 0.80 -1.01 4.60 2.07 -1.06 -0.90 116.25 120.57 1n1b h VAL 132 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1n1b h VAL 132 Cb 0.18 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 1n1b h VAL 132 CO 0.00 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.63 1n1b h ILE 133 N -0.23 0.98 -0.56 4.57 2.04 -1.29 0.67 117.51 123.70 1n1b h ILE 133 Ca -0.01 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1n1b h ILE 133 Cb 0.20 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1n1b h ILE 133 CO 0.00 0.19 0.18 0.22 0.00 0.00 0.00 178.15 178.74 1n1b h TYR 134 N 1.06 0.90 0.00 1.37 3.20 -0.66 -2.84 116.97 120.00 1n1b h TYR 134 Ca 0.48 -0.09 -0.18 0.00 3.14 0.00 0.00 58.73 62.07 1n1b h TYR 134 Cb 0.38 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1n1b h TYR 134 CO -0.00 0.76 -0.87 -0.91 -1.64 0.00 0.00 178.16 175.50 1n1b h ASN 135 N 0.78 0.00 -0.14 -2.11 2.35 0.07 -3.31 115.58 113.22 1n1b h ASN 135 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1n1b h ASN 135 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1n1b h ASN 135 CO -0.01 0.87 0.00 -0.62 -1.65 0.00 0.00 177.43 176.03 1n1b n GLU 136 N -3.37 1.53 -3.74 0.81 1.02 0.22 -4.71 120.64 112.41 1n1b n GLU 136 Ca 0.00 -0.80 -0.29 0.00 -0.02 0.00 0.00 57.16 56.05 1n1b n GLU 136 Cb 0.87 -1.34 -0.16 0.00 -0.02 0.00 0.00 31.44 30.79 1n1b n GLU 136 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1n1b s HIS 137 N -1.82 1.26 0.51 -0.32 3.76 -1.08 -5.00 115.29 112.60 1n1b s HIS 137 Ca 0.29 -1.17 0.26 0.00 -0.15 0.00 0.00 55.06 54.30 1n1b s HIS 137 Cb 0.15 -1.25 1.37 0.00 1.11 0.00 0.00 32.58 33.96 1n1b s HIS 137 CO 0.23 -0.71 1.92 0.87 -0.85 0.00 0.00 174.74 176.20 1n1b h LYS 138 N 8.19 0.08 -0.05 1.40 1.57 -1.86 -1.28 116.57 124.62 1n1b h LYS 138 Ca -0.16 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1n1b h LYS 138 Cb 1.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1n1b h LYS 138 CO 0.39 0.05 -0.01 0.00 -0.57 0.00 0.00 179.45 179.31 1n1b h PHE 140 N 0.01 0.85 -0.26 0.00 0.05 -1.56 0.26 116.94 116.28 1n1b h PHE 140 Ca 0.02 -0.24 0.00 0.00 3.82 0.00 0.00 57.97 61.57 1n1b h PHE 140 Cb 0.03 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 37.80 1n1b h PHE 140 CO -0.11 0.98 0.00 -2.39 -0.18 0.00 0.00 178.31 176.61 1n1b n HIS 141 N -4.28 0.33 -1.16 -0.55 1.44 -1.02 -4.48 115.22 105.51 1n1b n HIS 141 Ca -0.03 -0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 1n1b n HIS 141 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1n1b n HIS 141 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1n1b n ASN 142 N 1.16 0.00 -0.09 4.39 3.02 0.17 -5.02 115.26 118.89 1n1b n ASN 142 Ca 0.18 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.94 1n1b n ASN 142 Cb 0.53 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1n1b n ASN 142 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n1b n ASN 143 N 0.00 -5.38 -4.77 6.41 3.02 0.91 -4.93 115.26 110.52 1n1b n ASN 143 Ca 0.00 0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 1n1b n ASN 143 Cb 0.19 -2.99 0.09 0.00 -0.61 0.00 0.00 39.78 36.47 1n1b n ASN 143 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1n1b s GLU 144 N -1.74 2.16 0.43 3.52 2.02 -1.22 -4.81 118.70 119.08 1n1b s GLU 144 Ca 0.00 1.00 -0.22 0.00 0.02 0.00 0.00 54.97 55.77 1n1b s GLU 144 Cb 0.00 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.23 1n1b s GLU 144 CO 0.00 -1.66 1.00 0.08 0.02 0.00 0.00 175.26 174.70 1n1b s VAL 145 N -2.96 4.04 0.00 2.63 1.01 -1.26 -3.89 120.40 119.96 1n1b s VAL 145 Ca 0.61 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1n1b s VAL 145 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1n1b s VAL 145 CO 0.56 -0.18 0.00 1.21 0.00 0.00 0.00 175.10 176.69 1n1b n GLU 146 N -0.51 0.00 0.01 2.72 4.07 -1.26 -4.84 120.64 120.83 1n1b n GLU 146 Ca 0.07 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.24 1n1b n GLU 146 Cb 0.52 0.00 0.30 0.00 -0.06 0.00 0.00 31.44 32.20 1n1b n GLU 146 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1n1b n LYS 147 N 0.00 0.01 -3.80 5.31 5.02 -1.26 -4.86 118.16 118.58 1n1b n LYS 147 Ca 0.00 0.29 -0.27 0.00 -2.02 0.00 0.00 58.31 56.31 1n1b n LYS 147 Cb 0.00 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 33.52 1n1b n LYS 147 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1n1b n MET 148 N -1.56 -6.15 -3.13 1.97 2.81 -1.26 -4.93 117.12 104.87 1n1b n MET 148 Ca 0.03 0.67 -0.44 0.00 -1.81 0.00 0.00 57.70 56.15 1n1b n MET 148 Cb 0.16 -5.58 -0.06 0.00 -0.71 0.00 0.00 33.22 27.03 1n1b n MET 148 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1n1b s ASP 149 N -3.44 6.24 0.12 7.83 2.15 -1.26 -4.95 116.67 123.36 1n1b s ASP 149 Ca 0.56 -0.85 -0.23 0.00 0.43 0.00 0.00 52.55 52.47 1n1b s ASP 149 Cb -0.27 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1n1b s ASP 149 CO 0.80 -0.91 1.68 0.25 -0.17 0.00 0.00 175.17 176.82 1n1b h LEU 150 N 9.80 -0.38 -0.11 -1.34 5.85 -1.94 0.27 115.31 127.46 1n1b h LEU 150 Ca -0.27 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1n1b h LEU 150 Cb 1.09 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1n1b h LEU 150 CO 0.97 -0.17 -0.39 0.22 -0.34 0.00 0.00 178.44 178.73 1n1b h TYR 151 N -0.17 -1.10 -0.45 1.25 3.20 -1.88 0.46 116.97 118.28 1n1b h TYR 151 Ca 0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1n1b h TYR 151 Cb 0.27 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1n1b h TYR 151 CO -0.22 -0.46 0.27 0.35 -1.64 0.00 0.00 178.16 176.47 1n1b h PHE 152 N -0.48 0.59 0.00 -3.82 3.57 -1.93 -0.63 116.94 114.24 1n1b h PHE 152 Ca 0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1n1b h PHE 152 Cb 0.61 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1n1b h PHE 152 CO -0.45 0.41 -0.00 1.15 -2.23 0.00 0.00 178.31 177.19 1n1b h THR 153 N 0.60 1.10 -0.29 4.41 2.02 -0.44 -0.23 112.91 120.07 1n1b h THR 153 Ca 0.16 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1n1b h THR 153 Cb -0.01 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1n1b h THR 153 CO -0.03 0.08 0.13 0.00 0.37 0.00 0.00 175.52 176.07 1n1b h ALA 154 N 0.86 0.38 -0.36 6.16 0.00 -0.00 0.02 119.26 126.32 1n1b h ALA 154 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n1b h ALA 154 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n1b h ALA 154 CO 0.00 -0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.58 1n1b h LEU 155 N 0.33 0.50 -0.64 0.00 5.85 -1.09 -2.02 115.31 118.24 1n1b h LEU 155 Ca 0.10 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1n1b h LEU 155 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1n1b h LEU 155 CO -0.01 0.55 0.27 1.23 -0.34 0.00 0.00 178.44 180.14 1n1b h GLY 156 N 0.43 1.02 0.68 3.75 0.00 -0.93 -1.77 103.07 106.25 1n1b h GLY 156 Ca 0.12 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1n1b h GLY 156 CO -0.01 0.51 -0.01 -2.75 0.00 0.00 0.00 176.54 174.28 1n1b h PHE 157 N 0.89 -0.03 0.29 5.60 3.57 -0.83 0.13 116.94 126.56 1n1b h PHE 157 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1n1b h PHE 157 Cb 0.18 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1n1b h PHE 157 CO 0.01 -0.04 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.82 1n1b h ARG 158 N 0.05 -0.37 -0.56 1.11 2.43 -1.15 -0.42 114.38 115.46 1n1b h ARG 158 Ca 0.09 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1n1b h ARG 158 Cb 0.12 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1n1b h ARG 158 CO -0.17 -0.23 0.05 -0.07 -1.51 0.00 0.00 179.97 178.05 1n1b h LEU 159 N -0.42 0.89 0.12 3.80 3.38 -1.21 -1.50 115.31 120.37 1n1b h LEU 159 Ca -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1n1b h LEU 159 Cb 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n1b h LEU 159 CO 0.07 0.92 -0.06 -0.07 0.09 0.00 0.00 178.44 179.39 1n1b h LEU 160 N 0.87 -0.14 -0.48 1.67 3.38 -0.64 -2.12 115.31 117.84 1n1b h LEU 160 Ca 0.17 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1n1b h LEU 160 Cb 0.44 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1n1b h LEU 160 CO 0.02 0.18 0.28 -0.09 0.09 0.00 0.00 178.44 178.92 1n1b h ARG 161 N -0.47 0.53 -0.38 1.13 2.43 -1.03 -1.36 114.38 115.23 1n1b h ARG 161 Ca -0.02 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1n1b h ARG 161 Cb 0.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1n1b h ARG 161 CO 0.03 0.35 0.26 1.96 -1.51 0.00 0.00 179.97 181.06 1n1b h GLN 162 N 0.55 0.18 -0.60 0.20 4.20 -1.24 -1.83 115.11 116.57 1n1b h GLN 162 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1n1b h GLN 162 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n1b h GLN 162 CO -0.10 0.12 0.00 0.72 -0.67 0.00 0.00 178.83 178.89 1n1b n HIS 163 N -4.46 0.91 -0.15 2.96 8.25 -0.56 -4.92 115.22 117.25 1n1b n HIS 163 Ca 0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1n1b n HIS 163 Cb 0.32 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1n1b n HIS 163 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n1b n GLY 164 N 0.79 0.85 3.78 -1.41 0.00 -0.69 -5.05 105.19 103.46 1n1b n GLY 164 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1n1b n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n1b s PHE 165 N -2.48 3.17 -0.82 1.61 0.40 -0.90 -4.96 117.98 114.00 1n1b s PHE 165 Ca 0.00 1.62 -0.22 0.00 -0.60 0.00 0.00 56.93 57.73 1n1b s PHE 165 Cb 0.00 -3.14 0.08 0.00 0.51 0.00 0.00 43.02 40.47 1n1b s PHE 165 CO 0.00 -0.76 1.15 1.21 0.70 0.00 0.00 175.22 177.51 1n1b s ASN 166 N -1.63 6.38 -0.15 1.36 2.47 -1.26 -4.32 114.94 117.79 1n1b s ASN 166 Ca 0.60 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 52.55 1n1b s ASN 166 Cb -0.21 -2.46 -0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1n1b s ASN 166 CO 0.27 -1.39 -0.16 -0.63 -3.72 0.00 0.00 177.10 171.47 1n1b s ILE 167 N 4.01 2.65 0.59 -5.21 -1.09 -1.26 -4.97 121.20 115.93 1n1b s ILE 167 Ca 0.31 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 1n1b s ILE 167 Cb -0.09 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.63 1n1b s ILE 167 CO 0.01 0.52 1.02 -0.55 -1.23 0.00 0.00 174.94 174.71 1n1b s SER 168 N 0.77 6.19 0.51 3.58 0.15 -1.26 -4.94 113.70 118.69 1n1b s SER 168 Ca -0.06 1.54 0.29 0.00 0.70 0.00 0.00 55.95 58.42 1n1b s SER 168 Cb -0.15 -2.49 1.24 0.00 -1.71 0.00 0.00 66.02 62.91 1n1b s SER 168 CO 0.01 -0.89 1.95 0.06 1.20 0.00 0.00 173.24 175.57 1n1b h GLN 169 N 0.11 0.00 0.00 5.44 3.07 -2.00 -2.98 115.11 118.75 1n1b h GLN 169 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1n1b h GLN 169 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1n1b h GLN 169 CO 0.61 0.11 0.06 -0.44 0.09 0.00 0.00 178.83 179.26 1n1b h ASP 170 N 0.00 0.00 -0.33 0.06 3.32 -1.98 -1.77 116.42 115.73 1n1b h ASP 170 Ca -0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1n1b h ASP 170 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1n1b h ASP 170 CO 0.01 0.00 0.42 0.58 -1.72 0.00 0.00 179.24 178.54 1n1b h VAL 171 N 0.00 0.30 -0.08 -1.35 2.07 -1.83 0.46 116.25 115.83 1n1b h VAL 171 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n1b h VAL 171 Cb 0.12 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1n1b h VAL 171 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1n1b n PHE 172 N -3.55 0.08 0.76 1.57 3.01 -0.66 -3.97 117.46 114.70 1n1b n PHE 172 Ca 0.05 -0.04 0.09 0.00 1.01 0.00 0.00 57.45 58.57 1n1b n PHE 172 Cb 0.57 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.47 1n1b n PHE 172 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1n1b n ASN 173 N 0.61 0.00 -0.18 4.37 3.02 0.16 -2.30 115.26 120.94 1n1b n ASN 173 Ca 0.17 0.28 0.11 0.00 -0.03 0.00 0.00 54.58 55.11 1n1b n ASN 173 Cb 0.43 -0.40 0.59 0.00 -0.61 0.00 0.00 39.78 39.79 1n1b n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1b n PHE 175 N -0.48 0.00 -3.35 0.00 3.01 -0.97 -4.99 117.46 110.67 1n1b n PHE 175 Ca 0.17 -0.38 -0.35 0.00 1.01 0.00 0.00 57.45 57.90 1n1b n PHE 175 Cb 0.16 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.54 1n1b n PHE 175 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1n1b s LYS 176 N -0.77 3.96 1.48 -1.08 1.02 -1.21 -0.81 119.74 122.33 1n1b s LYS 176 Ca 0.00 0.48 -0.24 0.00 0.02 0.00 0.00 55.97 56.22 1n1b s LYS 176 Cb 0.00 -2.88 0.38 0.00 -0.52 0.00 0.00 37.83 34.81 1n1b s LYS 176 CO 0.00 0.45 0.88 0.27 -0.92 0.00 0.00 175.35 176.03 1n1b n ASN 177 N 0.66 -4.14 -0.25 2.83 0.23 0.03 -4.69 115.26 109.93 1n1b n ASN 177 Ca -0.04 -0.86 0.06 0.00 -0.53 0.00 0.00 54.58 53.21 1n1b n ASN 177 Cb 0.52 -1.02 0.17 0.00 -2.08 0.00 0.00 39.78 37.37 1n1b n ASN 177 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1n1b h GLU 178 N -3.64 0.15 -0.88 -3.83 5.08 -1.98 0.76 114.58 110.24 1n1b h GLU 178 Ca -0.41 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1n1b h GLU 178 Cb 1.34 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1n1b h GLU 178 CO 0.25 0.10 0.57 0.87 -1.00 0.00 0.00 179.01 179.80 1n1b h LYS 179 N 0.15 0.71 0.00 2.33 1.57 -1.93 -3.46 116.57 115.94 1n1b h LYS 179 Ca 0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1n1b h LYS 179 Cb 0.74 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1n1b h LYS 179 CO -0.61 0.47 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 1n1b n GLY 180 N -1.43 0.65 0.23 3.86 0.00 0.26 -4.97 105.19 103.80 1n1b n GLY 180 Ca 0.17 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1n1b n GLY 180 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n1b n ILE 181 N -2.61 1.45 -3.66 -0.61 -0.00 -1.26 -4.96 119.36 107.70 1n1b n ILE 181 Ca 0.00 0.14 -0.21 0.00 -0.00 0.00 0.00 62.75 62.68 1n1b n ILE 181 Cb 0.00 -2.20 -0.03 0.00 -0.00 0.00 0.00 39.64 37.41 1n1b n ILE 181 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1n1b s ASP 182 N -6.03 5.25 0.44 4.38 1.01 -1.26 -4.98 116.67 115.48 1n1b s ASP 182 Ca -0.25 -0.57 -0.22 0.00 0.71 0.00 0.00 52.55 52.22 1n1b s ASP 182 Cb 0.04 -0.81 -0.09 0.00 1.01 0.00 0.00 42.92 43.07 1n1b s ASP 182 CO 0.37 -0.49 1.03 -0.36 0.21 0.00 0.00 175.17 175.93 1n1b s PHE 183 N -2.37 3.15 0.14 4.23 0.08 -1.26 -0.79 117.98 121.16 1n1b s PHE 183 Ca 0.45 1.61 -0.33 0.00 0.12 0.00 0.00 56.93 58.78 1n1b s PHE 183 Cb -0.05 -3.05 -0.12 0.00 -0.57 0.00 0.00 43.02 39.22 1n1b s PHE 183 CO 0.28 -0.64 1.73 1.63 -0.10 0.00 0.00 175.22 178.11 1n1b n LYS 184 N -0.58 2.53 0.28 0.44 5.02 0.01 -4.55 118.16 121.30 1n1b n LYS 184 Ca 0.07 0.92 0.13 0.00 -2.02 0.00 0.00 58.31 57.41 1n1b n LYS 184 Cb 0.52 -2.75 0.80 0.00 -0.02 0.00 0.00 35.03 33.58 1n1b n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n1b h ALA 185 N 7.24 1.44 0.00 7.82 0.00 -1.93 -2.05 119.26 131.78 1n1b h ALA 185 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n1b h ALA 185 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n1b h ALA 185 CO 0.93 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 179.13 1n1b n SER 186 N -3.80 0.58 0.21 0.00 3.41 -1.26 -2.12 113.62 110.64 1n1b n SER 186 Ca -0.02 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1n1b n SER 186 Cb 0.16 -0.80 0.44 0.00 -0.26 0.00 0.00 64.21 63.75 1n1b n SER 186 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n1b h LEU 187 N 0.00 0.00 -2.01 1.04 3.38 -1.75 -3.17 115.31 112.80 1n1b h LEU 187 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1n1b h LEU 187 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1n1b h LEU 187 CO 0.00 0.27 0.40 0.00 0.09 0.00 0.00 178.44 179.20 1n1b h ALA 188 N 1.73 2.43 0.00 1.53 0.00 -1.63 0.10 119.26 123.42 1n1b h ALA 188 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1n1b h ALA 188 Cb 0.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1n1b h ALA 188 CO 0.03 -0.67 -0.21 1.96 0.00 0.00 0.00 179.25 180.36 1n1b h GLN 189 N 0.00 0.00 -4.72 0.00 4.20 -1.78 -3.36 115.11 109.44 1n1b h GLN 189 Ca 0.25 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 58.23 1n1b h GLN 189 Cb 1.05 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.70 1n1b h GLN 189 CO -0.00 0.21 1.86 -3.47 -0.67 0.00 0.00 178.83 176.75 1n1b n ASP 190 N -3.33 5.01 -0.37 1.46 2.03 0.36 -4.80 116.55 116.89 1n1b n ASP 190 Ca 0.00 -2.98 0.02 0.00 0.52 0.00 0.00 54.79 52.36 1n1b n ASP 190 Cb 0.44 -1.61 0.17 0.00 -0.72 0.00 0.00 41.12 39.41 1n1b n ASP 190 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1n1b h THR 191 N 4.64 1.10 -0.34 5.18 2.02 -1.80 0.27 112.91 123.98 1n1b h THR 191 Ca 0.39 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1n1b h THR 191 Cb 0.80 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1n1b h THR 191 CO 1.43 0.22 0.18 0.50 0.37 0.00 0.00 175.52 178.22 1n1b h LYS 192 N 1.20 0.48 -0.25 6.66 3.64 -1.96 -1.36 116.57 124.98 1n1b h LYS 192 Ca 0.43 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 1n1b h LYS 192 Cb 0.14 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1n1b h LYS 192 CO -0.16 0.41 -0.52 0.78 -2.27 0.00 0.00 179.45 177.68 1n1b h GLY 193 N 0.42 0.79 1.01 5.01 0.00 -1.78 -3.17 103.07 105.34 1n1b h GLY 193 Ca 0.12 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.56 1n1b h GLY 193 CO -0.02 0.80 0.50 -0.33 0.00 0.00 0.00 176.54 177.49 1n1b h MET 194 N 0.56 0.99 -0.78 4.80 2.86 -0.27 -1.59 114.93 121.50 1n1b h MET 194 Ca 0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1n1b h MET 194 Cb 1.09 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1n1b h MET 194 CO 0.11 0.66 0.48 1.25 1.06 0.00 0.00 176.91 180.47 1n1b h LEU 195 N 1.02 0.92 -0.76 1.22 5.85 -1.24 -0.61 115.31 121.71 1n1b h LEU 195 Ca 0.28 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 1n1b h LEU 195 Cb -0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1n1b h LEU 195 CO -0.06 0.70 -0.47 1.56 -0.34 0.00 0.00 178.44 179.83 1n1b h GLN 196 N 1.07 0.35 -0.36 1.25 1.08 -1.41 -2.17 115.11 114.91 1n1b h GLN 196 Ca 0.28 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1n1b h GLN 196 Cb -0.06 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1n1b h GLN 196 CO -0.05 0.75 -0.19 1.25 -0.95 0.00 0.00 178.83 179.63 1n1b h LEU 197 N 0.28 0.80 0.18 1.46 5.85 -0.50 -1.43 115.31 121.94 1n1b h LEU 197 Ca 0.02 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1n1b h LEU 197 Cb 0.94 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1n1b h LEU 197 CO 0.08 1.03 -0.23 0.22 -0.34 0.00 0.00 178.44 179.20 1n1b h TYR 198 N 0.56 -0.60 -0.52 1.25 3.20 -1.02 -1.50 116.97 118.34 1n1b h TYR 198 Ca 0.08 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1n1b h TYR 198 Cb 0.74 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1n1b h TYR 198 CO 0.06 -0.33 0.27 0.93 -1.64 0.00 0.00 178.16 177.45 1n1b h GLU 199 N -0.46 0.50 -0.16 1.82 4.39 -1.33 -2.47 114.58 116.88 1n1b h GLU 199 Ca 0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1n1b h GLU 199 Cb 0.45 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1n1b h GLU 199 CO -0.08 0.33 -0.05 0.00 -1.16 0.00 0.00 179.01 178.06 1n1b h ALA 200 N 1.28 1.63 0.00 3.43 0.00 -1.02 -2.93 119.26 121.65 1n1b h ALA 200 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n1b h ALA 200 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n1b h ALA 200 CO -0.16 0.27 -0.05 0.66 0.00 0.00 0.00 179.25 179.98 1n1b h SER 201 N 0.23 0.00 0.27 0.00 4.64 -0.78 -2.63 113.55 115.28 1n1b h SER 201 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n1b h SER 201 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n1b h SER 201 CO 0.01 0.05 0.00 0.49 -0.87 0.00 0.00 176.83 176.51 1n1b n PHE 202 N -4.08 0.00 0.15 4.77 3.01 -1.11 -2.76 117.46 117.44 1n1b n PHE 202 Ca -0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.50 1n1b n PHE 202 Cb 0.14 -0.15 0.24 0.00 -0.01 0.00 0.00 39.48 39.69 1n1b n PHE 202 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1n1b n LEU 203 N -1.15 3.25 -4.74 4.37 4.32 -0.99 -4.92 117.00 117.15 1n1b n LEU 203 Ca 0.18 -1.64 -0.35 0.00 -0.02 0.00 0.00 56.01 54.18 1n1b n LEU 203 Cb 0.16 -0.46 0.07 0.00 -1.62 0.00 0.00 43.42 41.58 1n1b n LEU 203 CO 0.19 0.57 0.81 -1.48 -1.22 0.00 0.00 177.39 176.26 1n1b s LEU 204 N -1.36 3.42 0.32 2.23 2.34 -1.11 -5.00 118.68 119.52 1n1b s LEU 204 Ca 0.34 2.34 0.04 0.00 0.06 0.00 0.00 54.13 56.91 1n1b s LEU 204 Cb 0.21 -4.59 -0.06 0.00 -0.56 0.00 0.00 46.19 41.19 1n1b s LEU 204 CO 0.17 -2.02 0.05 -0.13 -1.06 0.00 0.00 176.35 173.36 1n1b s ARG 205 N -3.76 1.63 0.08 1.48 0.52 -1.26 -4.60 118.95 113.05 1n1b s ARG 205 Ca 0.75 -1.90 -0.37 0.00 -0.52 0.00 0.00 55.73 53.69 1n1b s ARG 205 Cb -0.29 -0.86 -0.17 0.00 0.52 0.00 0.00 34.95 34.14 1n1b s ARG 205 CO 0.42 -0.17 1.25 1.17 0.02 0.00 0.00 175.30 177.98 1n1b n LYS 206 N -0.67 0.89 -0.69 3.54 4.81 -1.26 -1.48 118.16 123.30 1n1b n LYS 206 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1n1b n LYS 206 Cb 0.66 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1n1b n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n1b n GLY 207 N 2.24 1.21 3.07 3.14 0.00 -1.26 -4.96 105.19 108.62 1n1b n GLY 207 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1n1b n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n1b n GLU 208 N -2.00 3.79 0.27 1.61 1.02 -0.55 -4.78 120.64 120.01 1n1b n GLU 208 Ca 0.00 -3.96 0.13 0.00 -0.02 0.00 0.00 57.16 53.31 1n1b n GLU 208 Cb 0.00 -2.80 0.75 0.00 -0.02 0.00 0.00 31.44 29.37 1n1b n GLU 208 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1n1b h ASP 209 N 6.02 0.00 -0.00 1.62 3.32 -1.93 -2.53 116.42 122.93 1n1b h ASP 209 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1n1b h ASP 209 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1n1b h ASP 209 CO 1.41 0.10 -0.17 0.74 -1.72 0.00 0.00 179.24 179.61 1n1b h THR 210 N 0.00 1.21 0.00 0.35 2.02 -1.94 -0.74 112.91 113.81 1n1b h THR 210 Ca -0.00 -0.97 -0.19 0.00 0.77 0.00 0.00 66.41 66.02 1n1b h THR 210 Cb 0.28 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1n1b h THR 210 CO 0.01 0.30 -0.92 -0.07 0.37 0.00 0.00 175.52 175.22 1n1b h LEU 211 N 0.30 0.00 -0.52 2.58 3.38 -1.80 -1.61 115.31 117.65 1n1b h LEU 211 Ca 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1n1b h LEU 211 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1n1b h LEU 211 CO 0.03 0.92 -0.49 -0.08 0.09 0.00 0.00 178.44 178.90 1n1b h GLU 212 N 0.00 0.64 -0.31 1.13 4.57 -1.41 -1.13 114.58 118.06 1n1b h GLU 212 Ca -0.01 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 1n1b h GLU 212 Cb 1.66 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.27 1n1b h GLU 212 CO 0.12 0.99 0.04 1.25 -1.18 0.00 0.00 179.01 180.23 1n1b h LEU 213 N 0.50 0.51 -1.53 1.64 5.85 -1.08 -2.45 115.31 118.75 1n1b h LEU 213 Ca 0.02 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1n1b h LEU 213 Cb 1.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1n1b h LEU 213 CO 0.10 0.65 0.38 0.00 -0.34 0.00 0.00 178.44 179.23 1n1b h ALA 214 N 0.88 1.79 -0.13 1.25 0.00 -1.08 -0.84 119.26 121.14 1n1b h ALA 214 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 214 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n1b h ALA 214 CO 0.01 0.13 0.05 -0.09 0.00 0.00 0.00 179.25 179.35 1n1b h ARG 215 N 0.59 0.19 -0.64 0.00 2.43 -0.74 0.13 114.38 116.33 1n1b h ARG 215 Ca 0.24 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1n1b h ARG 215 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1n1b h ARG 215 CO -0.07 0.28 0.06 0.93 -1.51 0.00 0.00 179.97 179.66 1n1b h GLU 216 N 0.05 1.09 0.50 0.20 5.08 -1.11 -1.14 114.58 119.26 1n1b h GLU 216 Ca 0.04 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1n1b h GLU 216 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n1b h GLU 216 CO -0.00 1.03 -0.24 0.35 -1.00 0.00 0.00 179.01 179.14 1n1b h PHE 217 N 1.01 -0.63 -0.46 4.33 3.57 -1.04 -2.91 116.94 120.80 1n1b h PHE 217 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1n1b h PHE 217 Cb 0.50 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1n1b h PHE 217 CO 0.04 -0.30 0.08 0.00 -2.23 0.00 0.00 178.31 175.90 1n1b h ALA 218 N -0.67 1.28 -0.30 2.41 0.00 -0.77 -2.66 119.26 118.55 1n1b h ALA 218 Ca -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1n1b h ALA 218 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n1b h ALA 218 CO 0.11 0.50 0.08 1.15 0.00 0.00 0.00 179.25 181.09 1n1b h THR 219 N 0.68 1.21 -0.09 0.00 2.02 -1.27 -0.34 112.91 115.12 1n1b h THR 219 Ca 0.15 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1n1b h THR 219 Cb 0.30 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1n1b h THR 219 CO 0.00 0.23 0.02 0.11 0.37 0.00 0.00 175.52 176.26 1n1b h LYS 220 N 0.32 0.06 0.32 6.66 1.57 -1.41 0.39 116.57 124.47 1n1b h LYS 220 Ca 0.09 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n1b h LYS 220 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1n1b h LYS 220 CO -0.00 0.04 -0.27 0.00 -0.57 0.00 0.00 179.45 178.66 1n1b h LEU 222 N -0.59 0.84 -0.27 0.00 4.07 -0.96 -0.52 115.31 117.88 1n1b h LEU 222 Ca -0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1n1b h LEU 222 Cb 0.53 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1n1b h LEU 222 CO -0.03 0.61 0.03 -0.61 -1.08 0.00 0.00 178.44 177.36 1n1b h GLN 223 N 0.99 0.46 0.29 1.13 5.75 -0.65 -2.39 115.11 120.70 1n1b h GLN 223 Ca 0.27 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1n1b h GLN 223 Cb -0.10 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.40 1n1b h GLN 223 CO -0.06 0.59 -0.14 0.87 -2.65 0.00 0.00 178.83 177.45 1n1b h LYS 224 N 0.26 -0.37 0.00 1.69 1.57 -0.75 -1.68 116.57 117.29 1n1b h LYS 224 Ca 0.08 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1n1b h LYS 224 Cb 0.37 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1n1b h LYS 224 CO 0.01 -0.18 0.06 1.17 -0.57 0.00 0.00 179.45 179.94 1n1b n LYS 225 N -5.21 0.04 0.03 3.15 3.00 -0.24 -0.10 118.16 118.82 1n1b n LYS 225 Ca -0.10 0.50 0.06 0.00 -0.00 0.00 0.00 58.31 58.77 1n1b n LYS 225 Cb 0.20 -1.68 -0.10 0.00 0.00 0.00 0.00 35.03 33.46 1n1b n LYS 225 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1n1b n LEU 226 N -1.66 0.46 -1.40 3.14 7.94 -0.67 -5.07 117.00 119.74 1n1b n LEU 226 Ca -0.00 0.19 -0.06 0.00 -1.11 0.00 0.00 56.01 55.02 1n1b n LEU 226 Cb 0.07 0.05 0.04 0.00 0.53 0.00 0.00 43.42 44.11 1n1b n LEU 226 CO 0.02 0.03 0.79 0.47 -1.11 0.00 0.00 177.39 177.60 1n1b n ASP 227 N -2.59 3.85 -1.72 1.96 8.00 0.86 -5.10 116.55 121.80 1n1b n ASP 227 Ca -0.07 -2.48 -0.16 0.00 0.71 0.00 0.00 54.79 52.79 1n1b n ASP 227 Cb 0.69 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1n1b n ASP 227 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1n1b n ASP 234 N 0.30 -4.89 0.16 -2.24 3.85 -1.26 -4.99 116.55 107.47 1n1b n ASP 234 Ca 0.15 0.09 0.03 0.00 -0.71 0.00 0.00 54.79 54.34 1n1b n ASP 234 Cb 0.73 -3.96 0.41 0.00 -1.35 0.00 0.00 41.12 36.95 1n1b n ASP 234 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1n1b h GLU 235 N 0.00 0.14 -0.03 0.11 5.08 -2.03 -1.81 114.58 116.03 1n1b h GLU 235 Ca -0.38 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1n1b h GLU 235 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1n1b h GLU 235 CO 0.47 0.33 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.81 1n1b h ASN 236 N 0.13 0.13 -0.85 1.42 2.35 -1.99 -2.25 115.58 114.52 1n1b h ASN 236 Ca 0.03 -0.59 0.12 0.00 -0.55 0.00 0.00 56.30 55.31 1n1b h ASN 236 Cb 0.41 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 1n1b h ASN 236 CO 0.03 0.70 0.47 0.25 -1.65 0.00 0.00 177.43 177.22 1n1b h LEU 237 N -0.43 0.63 -0.12 1.61 5.85 -1.94 0.45 115.31 121.36 1n1b h LEU 237 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1n1b h LEU 237 Cb 0.68 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1n1b h LEU 237 CO 0.02 0.32 0.06 -0.07 -0.34 0.00 0.00 178.44 178.43 1n1b h LEU 238 N 0.73 0.15 -1.14 2.25 3.38 -1.30 0.14 115.31 119.52 1n1b h LEU 238 Ca 0.43 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1n1b h LEU 238 Cb 0.51 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1n1b h LEU 238 CO -0.30 0.21 0.59 -0.07 0.09 0.00 0.00 178.44 178.96 1n1b h LEU 239 N 0.09 0.97 -0.47 1.67 3.38 -0.70 -0.56 115.31 119.68 1n1b h LEU 239 Ca 0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1n1b h LEU 239 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1n1b h LEU 239 CO -0.01 0.67 -0.18 -0.25 0.09 0.00 0.00 178.44 178.77 1n1b h TRP 240 N 1.13 1.08 -0.46 1.13 2.91 -0.55 -2.31 115.95 118.88 1n1b h TRP 240 Ca 0.35 -0.25 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1n1b h TRP 240 Cb -0.00 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.37 1n1b h TRP 240 CO -0.00 1.06 0.17 0.82 -1.03 0.00 0.00 178.44 179.45 1n1b h ILE 241 N 0.80 1.21 -0.77 2.65 2.04 0.15 -1.31 117.51 122.29 1n1b h ILE 241 Ca 0.11 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1n1b h ILE 241 Cb 0.75 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1n1b h ILE 241 CO 0.06 0.25 0.40 0.03 0.00 0.00 0.00 178.15 178.89 1n1b h ARG 242 N 0.60 1.09 0.14 2.37 3.08 -1.08 -0.07 114.38 120.51 1n1b h ARG 242 Ca 0.15 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1n1b h ARG 242 Cb 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1n1b h ARG 242 CO -0.01 0.82 -0.12 1.25 -1.07 0.00 0.00 179.97 180.85 1n1b h HIS 243 N 1.07 -0.31 0.00 3.04 2.76 -1.12 -2.60 115.15 117.98 1n1b h HIS 243 Ca 0.27 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1n1b h HIS 243 Cb 0.07 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1n1b h HIS 243 CO 0.01 -0.19 -0.32 0.77 -1.30 0.00 0.00 177.93 176.90 1n1b h SER 244 N -0.28 0.00 0.60 3.26 0.02 -0.97 -2.61 113.55 113.57 1n1b h SER 244 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1n1b h SER 244 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1n1b h SER 244 CO -0.02 0.32 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.44 1n1b h LEU 245 N 0.00 0.00 -0.09 5.07 3.38 -0.80 -2.32 115.31 120.56 1n1b h LEU 245 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1n1b h LEU 245 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1n1b h LEU 245 CO 0.04 0.49 -0.12 0.44 0.09 0.00 0.00 178.44 179.38 1n1b h ASP 246 N 0.00 0.25 -2.82 -0.43 3.32 -1.11 -3.45 116.42 112.20 1n1b h ASP 246 Ca -0.00 -0.52 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 1n1b h ASP 246 Cb 0.92 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.13 1n1b h ASP 246 CO 0.06 0.73 -0.31 -0.76 -1.72 0.00 0.00 179.24 177.24 1n1b s LEU 247 N -9.06 -0.45 0.87 1.55 1.43 -1.04 -5.14 118.68 106.84 1n1b s LEU 247 Ca -0.15 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1n1b s LEU 247 Cb 0.04 1.43 0.11 0.00 0.03 0.00 0.00 46.19 47.80 1n1b s LEU 247 CO 0.73 -0.22 1.11 -2.16 0.23 0.00 0.00 176.35 176.04 1n1b s PRO 248 N 2.07 1.46 0.42 1.29 0.04 -0.89 -4.02 135.00 135.37 1n1b s PRO 248 Ca -0.05 1.23 0.13 0.00 0.04 0.00 0.00 61.00 62.34 1n1b s PRO 248 Cb -0.10 -1.80 0.98 0.00 0.04 0.00 0.00 34.50 33.61 1n1b s PRO 248 CO -0.13 -2.22 1.96 -0.07 0.04 0.00 0.00 177.00 176.58 1n1b h LEU 249 N -1.55 0.44 -2.37 -3.56 3.38 -1.91 0.13 115.31 109.85 1n1b h LEU 249 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1n1b h LEU 249 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1n1b h LEU 249 CO 0.48 0.26 0.00 -0.74 0.09 0.00 0.00 178.44 178.53 1n1b h HIS 250 N 0.48 0.00 -0.45 1.13 2.76 -1.90 -1.28 115.15 115.90 1n1b h HIS 250 Ca 0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1n1b h HIS 250 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1n1b h HIS 250 CO -0.00 0.00 0.00 0.91 -1.30 0.00 0.00 177.93 177.54 1n1b n TRP 251 N -2.93 1.07 -4.54 5.26 7.02 0.43 -4.98 117.44 118.78 1n1b n TRP 251 Ca -0.02 -0.67 -0.25 0.00 -1.02 0.00 0.00 57.50 55.54 1n1b n TRP 251 Cb 0.12 -0.22 -0.11 0.00 -2.42 0.00 0.00 31.31 28.68 1n1b n TRP 251 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n1b s ARG 252 N -1.95 1.80 -0.08 -0.99 0.52 -0.48 -4.79 118.95 112.97 1n1b s ARG 252 Ca 0.41 -1.97 0.02 0.00 -0.52 0.00 0.00 55.73 53.68 1n1b s ARG 252 Cb 0.28 -1.51 0.01 0.00 0.52 0.00 0.00 34.95 34.25 1n1b s ARG 252 CO 0.17 0.03 -0.14 0.42 0.02 0.00 0.00 175.30 175.80 1n1b s ILE 253 N -2.78 1.32 0.14 1.52 1.01 -1.26 -4.99 121.20 116.16 1n1b s ILE 253 Ca 0.33 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1n1b s ILE 253 Cb 0.06 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1n1b s ILE 253 CO 0.16 0.40 1.80 -0.61 0.00 0.00 0.00 174.94 176.69 1n1b h GLN 254 N 7.11 0.44 0.00 2.79 -0.00 -1.93 -1.85 115.11 121.67 1n1b h GLN 254 Ca -0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.31 1n1b h GLN 254 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.57 1n1b h GLN 254 CO 0.47 0.30 -0.07 0.66 0.00 0.00 0.00 178.83 180.19 1n1b h SER 255 N 0.46 0.00 0.10 -0.69 4.64 -1.92 0.22 113.55 116.36 1n1b h SER 255 Ca 0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 1n1b h SER 255 Cb -0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1n1b h SER 255 CO -0.03 0.07 -0.65 0.58 -0.87 0.00 0.00 176.83 175.93 1n1b h VAL 256 N 0.00 1.55 -0.85 0.95 2.07 -1.76 -3.36 116.25 114.85 1n1b h VAL 256 Ca -0.00 -2.44 -0.52 0.00 0.82 0.00 0.00 66.70 64.56 1n1b h VAL 256 Cb 0.16 3.16 -0.28 0.00 -1.52 0.00 0.00 31.29 32.82 1n1b h VAL 256 CO 0.01 0.68 0.45 -0.62 0.02 0.00 0.00 177.57 178.11 1n1b n GLU 257 N -4.22 2.47 -0.21 1.57 1.02 -0.74 -4.73 120.64 115.80 1n1b n GLU 257 Ca -0.13 -3.27 0.01 0.00 -0.02 0.00 0.00 57.16 53.75 1n1b n GLU 257 Cb 0.75 -2.16 0.12 0.00 -0.02 0.00 0.00 31.44 30.12 1n1b n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n1b h ALA 258 N 1.48 0.83 -0.33 0.62 0.00 -0.73 -2.16 119.26 118.98 1n1b h ALA 258 Ca 0.53 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1n1b h ALA 258 Cb 1.77 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1n1b h ALA 258 CO 1.12 -0.18 0.21 0.00 0.00 0.00 0.00 179.25 180.40 1n1b h ARG 259 N 0.43 0.41 -0.50 0.00 3.08 -1.86 -1.38 114.38 114.56 1n1b h ARG 259 Ca 0.32 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.40 1n1b h ARG 259 Cb 0.41 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1n1b h ARG 259 CO -0.32 0.27 0.24 2.35 -1.07 0.00 0.00 179.97 181.45 1n1b h TRP 260 N 0.43 0.44 -0.33 3.04 7.01 -1.78 0.14 115.95 124.89 1n1b h TRP 260 Ca 0.12 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.00 1n1b h TRP 260 Cb -0.03 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1n1b h TRP 260 CO -0.06 0.20 -0.38 0.74 -2.79 0.00 0.00 178.44 176.15 1n1b h PHE 261 N 0.47 0.92 -0.38 2.65 -1.00 -1.24 -1.13 116.94 117.23 1n1b h PHE 261 Ca 0.23 -0.26 -0.16 0.00 2.81 0.00 0.00 57.97 60.58 1n1b h PHE 261 Cb 0.16 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1n1b h PHE 261 CO -0.11 1.03 -0.39 0.82 -1.61 0.00 0.00 178.31 178.04 1n1b h ILE 262 N 0.64 1.27 -0.35 -0.55 2.04 -0.96 -1.55 117.51 118.05 1n1b h ILE 262 Ca 0.06 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1n1b h ILE 262 Cb 0.92 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1n1b h ILE 262 CO 0.08 0.52 0.19 0.44 0.00 0.00 0.00 178.15 179.38 1n1b h ASP 263 N 0.74 0.43 -0.79 1.72 3.32 -0.66 -1.70 116.42 119.49 1n1b h ASP 263 Ca 0.06 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1n1b h ASP 263 Cb 0.99 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 1n1b h ASP 263 CO 0.10 0.40 0.49 0.00 -1.72 0.00 0.00 179.24 178.51 1n1b h ALA 264 N 1.05 1.06 -0.50 3.45 0.00 -1.08 -2.26 119.26 120.97 1n1b h ALA 264 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 264 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n1b h ALA 264 CO -0.02 0.26 0.18 -0.92 0.00 0.00 0.00 179.25 178.75 1n1b h TYR 265 N 0.93 0.79 0.00 0.00 3.20 -0.93 -2.69 116.97 118.27 1n1b h TYR 265 Ca 0.33 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1n1b h TYR 265 Cb 0.09 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1n1b h TYR 265 CO -0.04 0.67 -0.02 0.00 -1.64 0.00 0.00 178.16 177.14 1n1b h ALA 266 N 1.03 1.07 0.00 1.82 0.00 -0.77 -2.03 119.26 120.38 1n1b h ALA 266 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n1b h ALA 266 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n1b h ALA 266 CO -0.01 0.02 -0.06 0.54 0.00 0.00 0.00 179.25 179.74 1n1b n ARG 267 N -3.21 0.03 -2.91 0.00 1.74 -0.91 -4.85 116.66 106.54 1n1b n ARG 267 Ca -0.02 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1n1b n ARG 267 Cb 0.17 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1n1b n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n1b s ARG 268 N -3.01 4.46 0.49 5.56 0.52 -0.76 -4.95 118.95 121.26 1n1b s ARG 268 Ca 0.13 1.08 0.22 0.00 -0.52 0.00 0.00 55.73 56.64 1n1b s ARG 268 Cb 0.18 -3.47 1.28 0.00 0.52 0.00 0.00 34.95 33.46 1n1b s ARG 268 CO 0.56 -0.02 2.04 -1.35 0.02 0.00 0.00 175.30 176.55 1n1b h PRO 269 N 6.85 0.00 -0.31 3.54 0.11 -1.88 -1.61 132.00 138.70 1n1b h PRO 269 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1n1b h PRO 269 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n1b h PRO 269 CO 0.76 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 1n1b n ASP 270 N -3.91 1.99 -4.77 -2.05 5.75 -1.26 -4.94 116.55 107.35 1n1b n ASP 270 Ca -0.02 -1.89 -0.40 0.00 -0.01 0.00 0.00 54.79 52.47 1n1b n ASP 270 Cb 0.24 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 40.14 1n1b n ASP 270 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1n1b s MET 271 N -1.59 3.74 -0.41 0.11 1.75 -0.61 -4.99 119.30 117.30 1n1b s MET 271 Ca 0.29 2.37 -0.14 0.00 -1.25 0.00 0.00 55.69 56.96 1n1b s MET 271 Cb 0.15 -2.67 0.03 0.00 2.84 0.00 0.00 34.83 35.18 1n1b s MET 271 CO 0.21 -0.76 0.29 1.21 -0.65 0.00 0.00 175.02 175.33 1n1b s ASN 272 N -0.55 6.02 0.48 1.11 3.84 -1.26 -4.97 114.94 119.61 1n1b s ASN 272 Ca 0.60 -1.00 0.31 0.00 0.21 0.00 0.00 52.86 52.98 1n1b s ASN 272 Cb -0.43 -2.13 1.40 0.00 -0.55 0.00 0.00 41.25 39.55 1n1b s ASN 272 CO 0.55 -0.47 1.74 -0.65 -2.79 0.00 0.00 177.10 175.48 1n1b h PRO 273 N 8.60 0.14 -0.30 0.43 0.11 -1.98 0.13 132.00 139.12 1n1b h PRO 273 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1n1b h PRO 273 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1n1b h PRO 273 CO 0.74 0.09 -0.03 1.25 -0.21 0.00 0.00 178.00 179.85 1n1b h LEU 274 N 0.14 0.54 -0.63 2.35 6.46 -1.99 0.10 115.31 122.28 1n1b h LEU 274 Ca 0.65 -0.33 -0.11 0.00 -0.12 0.00 0.00 57.88 57.97 1n1b h LEU 274 Cb 2.20 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.96 1n1b h LEU 274 CO -0.17 0.74 -0.12 0.40 -0.62 0.00 0.00 178.44 178.67 1n1b h ILE 275 N 0.33 1.27 -0.74 4.05 2.04 -1.43 -2.14 117.51 120.89 1n1b h ILE 275 Ca 0.08 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1n1b h ILE 275 Cb 0.48 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1n1b h ILE 275 CO 0.02 0.44 0.39 0.15 0.00 0.00 0.00 178.15 179.15 1n1b h PHE 276 N 0.85 1.03 -0.51 1.37 3.57 -1.12 0.24 116.94 122.37 1n1b h PHE 276 Ca 0.13 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1n1b h PHE 276 Cb 0.67 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1n1b h PHE 276 CO 0.04 0.73 0.02 1.49 -2.23 0.00 0.00 178.31 178.36 1n1b h GLU 277 N 1.03 0.89 -0.50 1.11 4.57 -0.79 -1.44 114.58 119.46 1n1b h GLU 277 Ca 0.26 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1n1b h GLU 277 Cb 0.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1n1b h GLU 277 CO -0.04 0.91 0.11 1.25 -1.18 0.00 0.00 179.01 180.07 1n1b h LEU 278 N 0.76 0.76 -0.42 1.64 5.85 -0.98 -0.19 115.31 122.74 1n1b h LEU 278 Ca 0.15 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1n1b h LEU 278 Cb 0.50 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1n1b h LEU 278 CO 0.02 0.80 0.25 0.00 -0.34 0.00 0.00 178.44 179.18 1n1b h ALA 279 N 0.99 0.53 -0.38 1.25 0.00 -0.74 0.15 119.26 121.05 1n1b h ALA 279 Ca 0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1n1b h ALA 279 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n1b h ALA 279 CO 0.00 -0.06 -0.06 0.87 0.00 0.00 0.00 179.25 180.00 1n1b h LYS 280 N 0.51 0.72 -0.49 0.00 1.57 -1.14 -1.56 116.57 116.18 1n1b h LYS 280 Ca 0.16 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1n1b h LYS 280 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1n1b h LYS 280 CO -0.07 0.85 0.12 1.25 -0.57 0.00 0.00 179.45 181.03 1n1b h LEU 281 N 0.53 0.74 -0.62 2.94 5.85 -0.77 -1.48 115.31 122.51 1n1b h LEU 281 Ca 0.10 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1n1b h LEU 281 Cb 0.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1n1b h LEU 281 CO 0.03 0.78 0.34 -1.13 -0.34 0.00 0.00 178.44 178.13 1n1b h ASN 282 N 0.67 0.77 -0.37 1.25 -1.24 -0.68 -1.01 115.58 114.97 1n1b h ASN 282 Ca 0.15 -0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.13 1n1b h ASN 282 Cb 0.33 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 1n1b h ASN 282 CO 0.00 0.64 0.08 0.15 -1.29 0.00 0.00 177.43 177.01 1n1b h PHE 283 N 0.84 0.13 -0.16 0.67 3.57 -0.95 0.06 116.94 121.10 1n1b h PHE 283 Ca 0.22 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1n1b h PHE 283 Cb 0.03 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1n1b h PHE 283 CO -0.01 0.03 -0.42 -0.91 -2.23 0.00 0.00 178.31 174.76 1n1b h ASN 284 N 0.21 0.41 -0.22 0.41 2.35 -0.94 -0.15 115.58 117.64 1n1b h ASN 284 Ca 0.17 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1n1b h ASN 284 Cb 0.19 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1n1b h ASN 284 CO -0.22 0.79 -0.39 0.40 -1.65 0.00 0.00 177.43 176.36 1n1b h ILE 285 N 0.32 1.32 -0.19 2.81 2.04 -0.86 -2.13 117.51 120.83 1n1b h ILE 285 Ca 0.03 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.18 1n1b h ILE 285 Cb 0.88 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1n1b h ILE 285 CO 0.07 0.50 -0.33 0.40 0.00 0.00 0.00 178.15 178.79 1n1b h ILE 286 N 0.35 1.28 -0.49 -0.67 2.04 -0.90 -2.36 117.51 116.76 1n1b h ILE 286 Ca 0.01 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1n1b h ILE 286 Cb 0.98 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1n1b h ILE 286 CO 0.09 0.43 0.27 -0.61 0.00 0.00 0.00 178.15 178.32 1n1b h GLN 287 N 0.33 0.68 -0.97 2.37 4.15 -0.90 -0.07 115.11 120.70 1n1b h GLN 287 Ca 0.04 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1n1b h GLN 287 Cb 0.74 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 1n1b h GLN 287 CO 0.06 0.54 0.64 0.00 -1.93 0.00 0.00 178.83 178.13 1n1b h ALA 288 N 1.11 1.24 -0.61 3.38 0.00 -1.07 -0.37 119.26 122.94 1n1b h ALA 288 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1n1b h ALA 288 Cb 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1n1b h ALA 288 CO -0.03 0.59 0.13 1.15 0.00 0.00 0.00 179.25 181.10 1n1b h THR 289 N 1.29 1.25 -0.79 0.00 2.02 -0.88 -2.53 112.91 113.27 1n1b h THR 289 Ca 0.36 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1n1b h THR 289 Cb -0.12 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1n1b h THR 289 CO -0.09 0.35 0.36 0.45 0.37 0.00 0.00 175.52 176.96 1n1b h HIS 290 N 0.89 1.15 -0.50 3.16 -0.00 -0.16 -1.69 115.15 118.00 1n1b h HIS 290 Ca 0.19 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1n1b h HIS 290 Cb 0.38 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1n1b h HIS 290 CO 0.03 0.85 0.07 1.96 -0.00 0.00 0.00 177.93 180.83 1n1b h GLN 291 N 1.13 0.80 -0.49 2.45 4.20 -0.86 0.78 115.11 123.11 1n1b h GLN 291 Ca 0.27 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1n1b h GLN 291 Cb 0.14 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1n1b h GLN 291 CO -0.03 0.76 -0.21 0.37 -0.67 0.00 0.00 178.83 179.06 1n1b h GLN 292 N 0.76 1.01 -0.62 1.46 5.75 -1.02 -0.45 115.11 122.00 1n1b h GLN 292 Ca 0.16 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.21 1n1b h GLN 292 Cb 0.37 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1n1b h GLN 292 CO 0.01 1.11 0.29 0.93 -2.65 0.00 0.00 178.83 178.51 1n1b h GLU 293 N 0.87 0.89 -0.56 1.69 5.08 -0.78 -1.65 114.58 120.12 1n1b h GLU 293 Ca 0.11 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1n1b h GLU 293 Cb 0.79 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1n1b h GLU 293 CO 0.07 0.73 0.09 1.25 -1.00 0.00 0.00 179.01 180.14 1n1b h LEU 294 N 0.85 0.85 -0.78 1.33 5.85 -0.62 -1.71 115.31 121.09 1n1b h LEU 294 Ca 0.21 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1n1b h LEU 294 Cb 0.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1n1b h LEU 294 CO -0.02 0.86 0.21 0.11 -0.34 0.00 0.00 178.44 179.26 1n1b h LYS 295 N 0.85 1.12 -0.48 1.25 1.57 -0.64 0.31 116.57 120.56 1n1b h LYS 295 Ca 0.18 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1n1b h LYS 295 Cb 0.38 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1n1b h LYS 295 CO 0.01 0.97 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.26 1n1b h ASP 296 N 1.08 0.93 -0.60 0.86 3.32 -0.98 -2.00 116.42 119.03 1n1b h ASP 296 Ca 0.23 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1n1b h ASP 296 Cb 0.32 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1n1b h ASP 296 CO -0.00 1.08 0.05 -0.07 -1.72 0.00 0.00 179.24 178.58 1n1b h LEU 297 N 0.81 0.99 -1.13 1.55 3.38 -0.96 -2.88 115.31 117.06 1n1b h LEU 297 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1n1b h LEU 297 Cb 0.70 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1n1b h LEU 297 CO 0.05 1.02 0.18 -1.28 0.09 0.00 0.00 178.44 178.51 1n1b h SER 298 N 0.92 0.73 -0.50 -0.43 0.87 -0.72 0.37 113.55 114.77 1n1b h SER 298 Ca 0.18 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1n1b h SER 298 Cb 0.48 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1n1b h SER 298 CO 0.02 0.68 0.31 -0.09 -0.53 0.00 0.00 176.83 177.22 1n1b h ARG 299 N 0.78 0.68 0.07 2.24 2.43 -1.17 0.66 114.38 120.07 1n1b h ARG 299 Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1n1b h ARG 299 Cb 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1n1b h ARG 299 CO -0.01 0.49 -0.03 2.35 -1.51 0.00 0.00 179.97 181.25 1n1b h TRP 300 N 0.68 -0.09 -0.67 2.20 7.01 -1.24 -3.04 115.95 120.80 1n1b h TRP 300 Ca 0.18 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.26 1n1b h TRP 300 Cb -0.02 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.00 1n1b h TRP 300 CO -0.03 0.28 0.34 2.35 -2.79 0.00 0.00 178.44 178.58 1n1b h TRP 301 N -0.46 0.61 -0.08 2.65 -0.00 -0.78 -1.53 115.95 116.36 1n1b h TRP 301 Ca -0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1n1b h TRP 301 Cb 0.40 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1n1b h TRP 301 CO 0.05 0.25 -0.07 0.77 -0.00 0.00 0.00 178.44 179.44 1n1b h SER 302 N 0.60 0.11 0.18 2.65 0.02 -0.89 -2.60 113.55 113.61 1n1b h SER 302 Ca 0.32 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.11 1n1b h SER 302 Cb 0.28 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1n1b h SER 302 CO -0.23 0.20 -0.52 -0.09 -1.14 0.00 0.00 176.83 175.04 1n1b h ARG 303 N 0.12 0.38 -0.50 3.45 2.43 -1.16 -3.16 114.38 115.93 1n1b h ARG 303 Ca 0.03 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 1n1b h ARG 303 Cb 0.20 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1n1b h ARG 303 CO 0.01 0.81 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.08 1n1b h LEU 304 N 0.30 0.96 1.15 3.80 4.07 -1.24 -3.47 115.31 120.87 1n1b h LEU 304 Ca 0.01 -0.32 -0.40 0.00 0.08 0.00 0.00 57.88 57.25 1n1b h LEU 304 Cb 1.02 -0.26 0.03 0.00 1.08 0.00 0.00 40.66 42.53 1n1b h LEU 304 CO 0.09 1.09 -0.58 0.00 -1.08 0.00 0.00 178.44 177.96 1n1b h PHE 306 N -1.15 -0.17 -0.45 0.00 0.04 -1.91 -2.41 116.94 110.88 1n1b h PHE 306 Ca -0.50 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.41 1n1b h PHE 306 Cb 1.35 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.57 1n1b h PHE 306 CO 0.57 -0.11 0.41 -1.35 -0.60 0.00 0.00 178.31 177.23 1n1b h PRO 307 N -0.09 0.00 -0.30 1.51 0.11 -1.92 0.60 132.00 131.92 1n1b h PRO 307 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1n1b h PRO 307 Cb 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1n1b h PRO 307 CO -0.12 0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 179.12 1n1b h GLU 308 N 0.00 0.46 0.00 1.05 4.81 -1.80 -0.85 114.58 118.26 1n1b h GLU 308 Ca 0.21 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 59.09 1n1b h GLU 308 Cb 1.03 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1n1b h GLU 308 CO -0.00 0.52 -1.71 1.63 -0.73 0.00 0.00 179.01 178.72 1n1b n LYS 309 N -4.27 0.64 -3.59 1.92 4.76 0.09 -4.50 118.16 113.20 1n1b n LYS 309 Ca 0.01 0.22 -0.27 0.00 -2.87 0.00 0.00 58.31 55.40 1n1b n LYS 309 Cb 0.25 -1.75 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 1n1b n LYS 309 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n1b n LEU 310 N -2.93 1.82 -0.33 -0.35 4.77 -0.53 -5.01 117.00 114.45 1n1b n LEU 310 Ca -0.16 -4.95 0.28 0.00 -0.03 0.00 0.00 56.01 51.15 1n1b n LEU 310 Cb 0.98 -0.21 0.53 0.00 -2.33 0.00 0.00 43.42 42.39 1n1b n LEU 310 CO 0.44 1.87 1.01 -0.65 -1.33 0.00 0.00 177.39 178.73 1n1b h PRO 311 N 5.09 0.00 -0.46 3.23 0.11 -1.38 -1.45 132.00 137.14 1n1b h PRO 311 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1n1b h PRO 311 Cb 0.80 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1n1b h PRO 311 CO 0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 1n1b n PHE 312 N -5.31 1.24 -2.12 0.65 3.01 -1.26 -4.95 117.46 108.72 1n1b n PHE 312 Ca 0.35 -0.70 -0.35 0.00 1.01 0.00 0.00 57.45 57.76 1n1b n PHE 312 Cb 1.18 -0.28 0.02 0.00 -0.01 0.00 0.00 39.48 40.39 1n1b n PHE 312 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n1b s VAL 313 N -2.18 3.13 0.05 -4.37 0.11 -0.55 -4.90 120.40 111.69 1n1b s VAL 313 Ca 0.44 0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 59.85 1n1b s VAL 313 Cb 0.31 -3.23 -0.08 0.00 -1.53 0.00 0.00 36.38 31.85 1n1b s VAL 313 CO 0.16 -0.20 1.70 -0.13 -3.33 0.00 0.00 175.10 173.31 1n1b s ARG 314 N -3.48 4.18 -0.50 1.54 0.52 -1.26 -4.94 118.95 115.02 1n1b s ARG 314 Ca 0.72 2.36 0.01 0.00 -0.52 0.00 0.00 55.73 58.29 1n1b s ARG 314 Cb -0.24 -3.71 0.13 0.00 0.52 0.00 0.00 34.95 31.65 1n1b s ARG 314 CO 0.31 -0.78 0.27 0.34 0.02 0.00 0.00 175.30 175.45 1n1b s ASP 315 N 2.77 4.86 -0.49 0.23 2.15 -1.26 -4.58 116.67 120.35 1n1b s ASP 315 Ca 0.76 -2.63 0.08 0.00 0.43 0.00 0.00 52.55 51.19 1n1b s ASP 315 Cb -0.40 -1.74 0.36 0.00 -0.30 0.00 0.00 42.92 40.84 1n1b s ASP 315 CO 0.33 -0.36 0.90 0.54 -0.17 0.00 0.00 175.17 176.42 1n1b n ARG 316 N 3.70 2.49 -0.02 4.34 1.74 -1.26 -4.90 116.66 122.75 1n1b n ARG 316 Ca 0.04 -4.31 -0.11 0.00 -0.77 0.00 0.00 57.85 52.70 1n1b n ARG 316 Cb 0.37 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1n1b n ARG 316 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1n1b h LEU 317 N 2.95 0.15 -0.41 0.55 5.85 -1.95 -1.06 115.31 121.39 1n1b h LEU 317 Ca 0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1n1b h LEU 317 Cb 0.72 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1n1b h LEU 317 CO 0.71 0.20 0.07 0.58 -0.34 0.00 0.00 178.44 179.67 1n1b h VAL 318 N 0.08 1.24 -0.89 1.05 2.07 -1.90 -0.95 116.25 116.95 1n1b h VAL 318 Ca 0.04 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1n1b h VAL 318 Cb 0.09 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1n1b h VAL 318 CO -0.01 0.30 0.50 -0.33 0.02 0.00 0.00 177.57 178.05 1n1b h GLU 319 N 0.53 1.23 -0.60 1.57 3.07 -1.94 -0.32 114.58 118.11 1n1b h GLU 319 Ca 0.12 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1n1b h GLU 319 Cb 0.36 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1n1b h GLU 319 CO 0.01 0.89 0.03 0.77 -1.40 0.00 0.00 179.01 179.30 1n1b h SER 320 N 1.23 1.00 -0.03 1.42 0.02 -0.95 -1.94 113.55 114.30 1n1b h SER 320 Ca 0.31 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1n1b h SER 320 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1n1b h SER 320 CO -0.05 1.04 -0.27 0.15 -1.14 0.00 0.00 176.83 176.56 1n1b h PHE 321 N 0.95 0.52 -0.43 3.45 3.57 -0.62 -2.12 116.94 122.26 1n1b h PHE 321 Ca 0.18 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1n1b h PHE 321 Cb 0.51 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1n1b h PHE 321 CO 0.03 0.69 0.26 0.35 -2.23 0.00 0.00 178.31 177.42 1n1b h PHE 322 N 0.41 0.56 -0.42 0.41 3.57 -0.66 -0.00 116.94 120.80 1n1b h PHE 322 Ca 0.06 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1n1b h PHE 322 Cb 0.69 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1n1b h PHE 322 CO 0.02 0.39 0.18 -1.49 -2.23 0.00 0.00 178.31 175.19 1n1b h TRP 323 N 0.57 0.33 -0.95 0.41 4.06 -0.97 -1.87 115.95 117.53 1n1b h TRP 323 Ca 0.15 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1n1b h TRP 323 Cb -0.01 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.02 1n1b h TRP 323 CO -0.03 0.15 0.61 0.00 -3.56 0.00 0.00 178.44 175.61 1n1b h ALA 324 N 1.25 1.28 -0.83 1.49 0.00 -0.85 -0.12 119.26 121.48 1n1b h ALA 324 Ca 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1n1b h ALA 324 Cb 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1n1b h ALA 324 CO -0.16 0.65 0.40 0.28 0.00 0.00 0.00 179.25 180.42 1n1b h VAL 325 N 1.30 1.25 -0.48 0.00 2.07 -0.53 -0.96 116.25 118.90 1n1b h VAL 325 Ca 0.35 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1n1b h VAL 325 Cb -0.12 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1n1b h VAL 325 CO -0.07 0.30 -0.17 1.23 0.02 0.00 0.00 177.57 178.88 1n1b h GLY 326 N 1.19 1.05 0.88 2.17 0.00 -0.57 -3.32 103.07 104.48 1n1b h GLY 326 Ca 0.29 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1n1b h GLY 326 CO -0.04 0.82 -0.19 -0.33 0.00 0.00 0.00 176.54 176.80 1n1b h MET 327 N 0.82 -0.52 -4.29 4.80 2.86 -0.46 -3.40 114.93 114.74 1n1b h MET 327 Ca 0.12 0.04 -0.70 0.00 -2.06 0.00 0.00 59.70 57.09 1n1b h MET 327 Cb 0.74 0.12 -0.33 0.00 0.06 0.00 0.00 31.60 32.19 1n1b h MET 327 CO 0.06 -0.28 -0.47 -0.06 1.06 0.00 0.00 176.91 177.22 1n1b s PHE 328 N -5.56 3.52 -0.01 -0.22 0.40 -0.42 -3.88 117.98 111.82 1n1b s PHE 328 Ca -0.15 -2.31 -0.22 0.00 -0.60 0.00 0.00 56.93 53.65 1n1b s PHE 328 Cb 0.03 -3.31 -0.22 0.00 0.51 0.00 0.00 43.02 40.04 1n1b s PHE 328 CO 0.60 -0.96 1.11 0.93 0.70 0.00 0.00 175.22 177.60 1n1b h GLU 329 N 8.00 0.32 -6.32 0.44 5.08 -1.78 -3.44 114.58 116.88 1n1b h GLU 329 Ca -0.13 -0.31 -0.66 0.00 -1.00 0.00 0.00 59.36 57.27 1n1b h GLU 329 Cb 1.04 0.08 0.07 0.00 0.50 0.00 0.00 28.75 30.44 1n1b h GLU 329 CO 0.75 0.98 0.31 -2.30 -1.00 0.00 0.00 179.01 177.74 1n1b n PRO 330 N -4.37 1.16 -0.31 2.33 -0.02 -1.26 -4.84 135.00 127.68 1n1b n PRO 330 Ca -0.09 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1n1b n PRO 330 Cb 0.56 -1.94 0.34 0.00 -0.02 0.00 0.00 33.50 32.44 1n1b n PRO 330 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n1b h HIS 331 N 3.62 0.94 0.00 6.00 2.76 -2.00 -1.67 115.15 124.79 1n1b h HIS 331 Ca -0.44 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1n1b h HIS 331 Cb 1.34 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1n1b h HIS 331 CO 0.55 0.32 0.00 0.00 -1.30 0.00 0.00 177.93 177.50 1n1b n GLN 332 N -4.61 0.78 -1.46 5.26 0.00 -1.26 -4.01 117.38 112.08 1n1b n GLN 332 Ca 0.19 0.01 -0.34 0.00 0.00 0.00 0.00 57.00 56.86 1n1b n GLN 332 Cb 0.47 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.27 1n1b n GLN 332 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1n1b n HIS 333 N -1.03 2.85 -0.07 2.61 8.25 -0.63 -4.62 115.22 122.58 1n1b n HIS 333 Ca 0.19 -2.63 -0.06 0.00 -0.26 0.00 0.00 57.72 54.96 1n1b n HIS 333 Cb 0.10 -1.32 0.13 0.00 1.12 0.00 0.00 29.99 30.03 1n1b n HIS 333 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1n1b h GLY 334 N 2.48 0.78 0.98 -1.41 0.00 -1.81 -1.58 103.07 102.51 1n1b h GLY 334 Ca 0.55 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1n1b h GLY 334 CO 1.40 0.56 0.18 -1.82 0.00 0.00 0.00 176.54 176.86 1n1b h TYR 335 N 0.64 0.82 -0.78 5.60 3.20 -1.95 -1.26 116.97 123.23 1n1b h TYR 335 Ca 0.10 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1n1b h TYR 335 Cb 0.64 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1n1b h TYR 335 CO 0.03 0.69 0.36 1.96 -1.64 0.00 0.00 178.16 179.56 1n1b h GLN 336 N 0.70 1.14 -0.50 1.82 7.50 -1.88 -0.28 115.11 123.62 1n1b h GLN 336 Ca 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1n1b h GLN 336 Cb 0.25 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 1n1b h GLN 336 CO -0.01 0.90 0.25 0.00 -1.50 0.00 0.00 178.83 178.47 1n1b h ARG 337 N 1.11 0.71 -0.56 1.46 3.08 -0.95 -0.62 114.38 118.62 1n1b h ARG 337 Ca 0.27 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1n1b h ARG 337 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1n1b h ARG 337 CO -0.03 0.58 -0.02 0.87 -1.07 0.00 0.00 179.97 180.30 1n1b h LYS 338 N 0.66 0.99 -0.29 0.04 1.57 -0.85 -1.07 116.57 117.64 1n1b h LYS 338 Ca 0.17 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1n1b h LYS 338 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1n1b h LYS 338 CO -0.02 0.99 0.06 1.98 -0.57 0.00 0.00 179.45 181.88 1n1b h MET 339 N 0.91 0.47 -0.66 3.15 4.05 -0.82 -1.60 114.93 120.42 1n1b h MET 339 Ca 0.16 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1n1b h MET 339 Cb 0.56 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1n1b h MET 339 CO 0.03 0.56 0.27 0.00 0.23 0.00 0.00 176.91 178.01 1n1b h ALA 340 N 0.89 0.86 -0.85 0.39 0.00 -0.99 -1.69 119.26 117.87 1n1b h ALA 340 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1n1b h ALA 340 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1n1b h ALA 340 CO 0.00 0.48 0.44 0.00 0.00 0.00 0.00 179.25 180.17 1n1b h ALA 341 N 1.12 1.09 -0.09 0.00 0.00 -1.09 -0.88 119.26 119.40 1n1b h ALA 341 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 341 Cb 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n1b h ALA 341 CO -0.02 0.63 0.02 1.15 0.00 0.00 0.00 179.25 181.03 1n1b h THR 342 N 1.19 1.19 -0.73 0.00 2.02 -0.99 -0.63 112.91 114.97 1n1b h THR 342 Ca 0.29 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1n1b h THR 342 Cb 0.07 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1n1b h THR 342 CO -0.04 0.17 0.27 0.40 0.37 0.00 0.00 175.52 176.68 1n1b h ILE 343 N -0.05 1.25 -0.45 3.11 2.04 -1.16 -1.57 117.51 120.68 1n1b h ILE 343 Ca 0.03 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1n1b h ILE 343 Cb 0.24 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1n1b h ILE 343 CO -0.00 0.33 0.14 0.40 0.00 0.00 0.00 178.15 179.02 1n1b h ILE 344 N 1.05 1.22 -0.13 -0.67 2.04 -1.04 0.61 117.51 120.59 1n1b h ILE 344 Ca 0.24 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 1n1b h ILE 344 Cb 0.25 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1n1b h ILE 344 CO -0.02 0.26 -0.41 1.62 0.00 0.00 0.00 178.15 179.61 1n1b h VAL 345 N 0.58 1.31 -0.16 1.67 3.04 -0.93 -1.40 116.25 120.36 1n1b h VAL 345 Ca 0.14 -1.53 -0.15 0.00 -1.01 0.00 0.00 66.70 64.16 1n1b h VAL 345 Cb 0.26 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1n1b h VAL 345 CO -0.01 0.46 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.48 1n1b h LEU 346 N 0.25 0.69 -1.45 3.16 3.38 -1.09 -3.07 115.31 117.17 1n1b h LEU 346 Ca 0.02 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1n1b h LEU 346 Cb 0.83 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1n1b h LEU 346 CO 0.07 1.16 0.24 0.00 0.09 0.00 0.00 178.44 179.99 1n1b h ALA 347 N 0.55 1.59 -0.62 1.53 0.00 -0.71 -0.93 119.26 120.67 1n1b h ALA 347 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1n1b h ALA 347 Cb 1.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1n1b h ALA 347 CO 0.10 0.35 0.41 1.15 0.00 0.00 0.00 179.25 181.26 1n1b h THR 348 N 0.61 1.16 -0.01 0.00 2.02 -1.18 0.17 112.91 115.68 1n1b h THR 348 Ca 0.16 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1n1b h THR 348 Cb 0.03 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1n1b h THR 348 CO -0.03 0.16 -0.01 0.58 0.37 0.00 0.00 175.52 176.59 1n1b h VAL 349 N 0.85 1.37 -0.64 3.16 2.07 -1.29 -2.59 116.25 119.17 1n1b h VAL 349 Ca 0.23 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1n1b h VAL 349 Cb -0.09 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1n1b h VAL 349 CO -0.05 0.29 0.37 0.40 0.02 0.00 0.00 177.57 178.60 1n1b h ILE 350 N -0.42 1.01 -0.39 4.57 2.04 -1.04 -1.07 117.51 122.21 1n1b h ILE 350 Ca 0.00 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1n1b h ILE 350 Cb 0.48 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1n1b h ILE 350 CO 0.00 0.13 0.01 -0.78 0.00 0.00 0.00 178.15 177.51 1n1b h ASP 351 N 0.70 -0.14 -0.90 1.72 3.58 -0.66 -0.81 116.42 119.90 1n1b h ASP 351 Ca 0.28 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.86 1n1b h ASP 351 Cb 0.12 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 1n1b h ASP 351 CO -0.15 -0.03 0.57 0.44 -2.88 0.00 0.00 179.24 177.19 1n1b h ASP 352 N 0.11 0.94 -0.81 2.28 5.19 -0.89 -0.58 116.42 122.67 1n1b h ASP 352 Ca 0.19 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 1n1b h ASP 352 Cb 0.27 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 1n1b h ASP 352 CO -0.31 0.63 0.40 0.40 -3.12 0.00 0.00 179.24 177.23 1n1b h ILE 353 N 1.09 1.25 -0.03 0.35 2.04 0.03 0.63 117.51 122.87 1n1b h ILE 353 Ca 0.37 -0.69 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 1n1b h ILE 353 Cb 0.07 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1n1b h ILE 353 CO -0.14 0.30 -0.81 1.88 0.00 0.00 0.00 178.15 179.38 1n1b h TYR 354 N 1.14 0.43 0.16 1.37 -1.99 -0.86 -0.41 116.97 116.82 1n1b h TYR 354 Ca 0.28 -0.21 -0.32 0.00 2.00 0.00 0.00 58.73 60.48 1n1b h TYR 354 Cb 0.11 -0.06 0.01 0.00 2.00 0.00 0.00 36.73 38.78 1n1b h TYR 354 CO 0.01 0.99 -1.52 -0.44 -0.00 0.00 0.00 178.16 177.20 1n1b h ASP 355 N 0.19 0.52 0.00 3.88 3.45 -0.83 -3.44 116.42 120.18 1n1b h ASP 355 Ca -0.04 -0.67 -0.13 0.00 0.43 0.00 0.00 57.03 56.62 1n1b h ASP 355 Cb 1.40 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.99 1n1b h ASP 355 CO 0.13 1.55 -1.34 0.52 -1.57 0.00 0.00 179.24 178.52 1n1b n VAL 356 N -3.53 0.61 -0.03 -1.35 0.31 0.22 -4.96 118.33 109.60 1n1b n VAL 356 Ca -0.17 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 63.91 1n1b n VAL 356 Cb 1.06 -1.65 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 1n1b n VAL 356 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1n1b h TYR 357 N -0.32 0.26 -4.08 3.52 -1.99 -1.45 -3.48 116.97 109.42 1n1b h TYR 357 Ca -0.20 -0.19 -0.46 0.00 2.00 0.00 0.00 58.73 59.89 1n1b h TYR 357 Cb 1.08 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.81 1n1b h TYR 357 CO -0.04 1.33 0.36 0.20 -0.00 0.00 0.00 178.16 180.01 1n1b s GLY 358 N -4.61 2.41 0.50 3.88 0.00 -0.17 -5.05 107.32 104.28 1n1b s GLY 358 Ca -0.20 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 1n1b s GLY 358 CO 0.73 0.77 0.85 -0.51 0.00 0.00 0.00 173.10 174.94 1n1b s THR 359 N -2.14 4.82 0.27 0.90 -4.23 -1.26 -4.86 115.64 109.15 1n1b s THR 359 Ca 0.64 0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1n1b s THR 359 Cb -0.13 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.15 1n1b s THR 359 CO 0.18 -0.86 1.84 0.25 -0.54 0.00 0.00 174.62 175.50 1n1b h LEU 360 N 0.31 0.93 -0.65 4.79 5.85 -1.97 -0.33 115.31 124.23 1n1b h LEU 360 Ca -0.46 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1n1b h LEU 360 Cb 1.20 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1n1b h LEU 360 CO 0.62 0.52 0.29 0.44 -0.34 0.00 0.00 178.44 179.97 1n1b h ASP 361 N 1.02 0.88 -0.57 1.25 3.32 -2.00 -1.02 116.42 119.30 1n1b h ASP 361 Ca 0.47 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1n1b h ASP 361 Cb 0.40 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1n1b h ASP 361 CO -0.24 0.78 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.71 1n1b h GLU 362 N 0.91 1.02 0.00 3.56 5.08 -1.72 -2.70 114.58 120.73 1n1b h GLU 362 Ca 0.22 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1n1b h GLU 362 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1n1b h GLU 362 CO -0.02 1.02 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.68 1n1b h LEU 363 N 0.90 0.00 -0.34 1.33 3.38 -0.80 0.16 115.31 119.96 1n1b h LEU 363 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1n1b h LEU 363 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1n1b h LEU 363 CO 0.03 0.25 -0.12 -0.08 0.09 0.00 0.00 178.44 178.62 1n1b h GLU 364 N 0.00 0.68 -0.45 1.13 4.81 -0.88 -0.46 114.58 119.40 1n1b h GLU 364 Ca -0.00 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1n1b h GLU 364 Cb 0.48 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1n1b h GLU 364 CO 0.03 0.87 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.99 1n1b h LEU 365 N 0.46 0.89 -0.05 1.64 3.38 -1.19 -1.32 115.31 119.11 1n1b h LEU 365 Ca 0.08 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1n1b h LEU 365 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1n1b h LEU 365 CO 0.04 1.05 -0.06 0.15 0.09 0.00 0.00 178.44 179.70 1n1b h PHE 366 N 0.72 -0.16 -0.68 1.13 3.57 -0.87 0.31 116.94 120.96 1n1b h PHE 366 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1n1b h PHE 366 Cb 0.66 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1n1b h PHE 366 CO 0.05 -0.10 0.44 1.15 -2.23 0.00 0.00 178.31 177.62 1n1b h THR 367 N -0.09 1.15 -0.59 4.41 2.02 -0.97 -2.33 112.91 116.51 1n1b h THR 367 Ca 0.05 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1n1b h THR 367 Cb 0.15 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1n1b h THR 367 CO -0.11 0.16 0.18 -0.78 0.37 0.00 0.00 175.52 175.35 1n1b h ASP 368 N 0.89 0.83 -0.69 4.18 1.82 -0.78 -2.17 116.42 120.50 1n1b h ASP 368 Ca 0.26 -0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.71 1n1b h ASP 368 Cb -0.07 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 39.70 1n1b h ASP 368 CO -0.07 0.78 0.22 0.74 -1.61 0.00 0.00 179.24 179.30 1n1b h THR 369 N 0.87 1.26 -0.50 2.25 2.02 -0.42 -0.80 112.91 117.58 1n1b h THR 369 Ca 0.20 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1n1b h THR 369 Cb 0.26 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1n1b h THR 369 CO -0.01 0.34 0.19 -0.26 0.37 0.00 0.00 175.52 176.15 1n1b h PHE 370 N 1.02 0.77 -0.93 3.16 -1.00 -1.17 0.13 116.94 118.92 1n1b h PHE 370 Ca 0.22 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 1n1b h PHE 370 Cb 0.30 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.59 1n1b h PHE 370 CO 0.02 0.65 0.58 0.87 -1.61 0.00 0.00 178.31 178.82 1n1b h LYS 371 N 0.67 1.25 -0.00 1.51 1.57 -0.99 -2.60 116.57 117.98 1n1b h LYS 371 Ca 0.16 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1n1b h LYS 371 Cb 0.22 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1n1b h LYS 371 CO -0.01 0.86 -0.83 0.00 -0.57 0.00 0.00 179.45 178.90 1n1b h ARG 372 N 1.28 0.10 -6.49 3.15 3.08 -0.95 -3.47 114.38 111.08 1n1b h ARG 372 Ca 0.34 -0.11 -0.50 0.00 0.07 0.00 0.00 59.98 59.77 1n1b h ARG 372 Cb -0.08 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.90 1n1b h ARG 372 CO -0.07 0.87 -0.81 1.87 -1.07 0.00 0.00 179.97 180.77 1n1b n TRP 373 N -3.63 -1.98 -3.30 3.04 -0.00 0.45 -4.95 117.44 107.06 1n1b n TRP 373 Ca -0.02 0.84 -0.05 0.00 -0.00 0.00 0.00 57.50 58.27 1n1b n TRP 373 Cb 0.78 -3.58 0.01 0.00 -0.00 0.00 0.00 31.31 28.52 1n1b n TRP 373 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1n1b n ASP 374 N -2.80 0.92 0.00 5.87 5.75 -1.26 -5.06 116.55 119.97 1n1b n ASP 374 Ca -0.01 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1n1b n ASP 374 Cb 0.54 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1n1b n ASP 374 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1n1b n THR 375 N -1.03 0.95 -0.04 2.12 -2.24 -1.26 -4.79 114.28 108.00 1n1b n THR 375 Ca 0.02 -0.98 -0.06 0.00 -2.27 0.00 0.00 64.05 60.76 1n1b n THR 375 Cb 0.13 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1n1b n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n1b n GLU 376 N -0.48 0.73 0.30 -0.78 1.02 -1.26 -4.64 120.64 115.52 1n1b n GLU 376 Ca 0.00 0.04 0.20 0.00 -0.02 0.00 0.00 57.16 57.38 1n1b n GLU 376 Cb 0.24 -1.18 0.91 0.00 -0.02 0.00 0.00 31.44 31.40 1n1b n GLU 376 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n1b h SER 377 N 0.00 0.00 -0.98 1.62 4.64 -1.98 -3.11 113.55 113.74 1n1b h SER 377 Ca -0.19 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.35 1n1b h SER 377 Cb 1.33 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.33 1n1b h SER 377 CO -0.02 0.00 0.63 -0.29 -0.87 0.00 0.00 176.83 176.28 1n1b h ILE 378 N 0.00 0.62 -0.59 0.95 2.10 -1.88 -1.91 117.51 116.80 1n1b h ILE 378 Ca 0.00 -0.16 0.15 0.00 1.08 0.00 0.00 64.86 65.93 1n1b h ILE 378 Cb 0.28 0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.09 1n1b h ILE 378 CO 0.00 0.09 0.42 0.74 -1.08 0.00 0.00 178.15 178.31 1n1b h THR 379 N 0.47 0.76 0.00 2.19 2.02 -1.88 -2.05 112.91 114.43 1n1b h THR 379 Ca 0.54 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.67 1n1b h THR 379 Cb 1.25 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1n1b h THR 379 CO -0.26 0.03 0.00 0.54 0.37 0.00 0.00 175.52 176.19 1n1b n ARG 380 N -4.41 0.18 -2.50 6.66 1.74 -0.72 -4.88 116.66 112.73 1n1b n ARG 380 Ca 0.11 0.20 -0.29 0.00 -0.77 0.00 0.00 57.85 57.10 1n1b n ARG 380 Cb 0.57 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1n1b n ARG 380 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1n1b s LEU 381 N -4.08 3.59 0.65 0.55 1.43 -0.77 -5.04 118.68 115.01 1n1b s LEU 381 Ca 0.10 1.14 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 1n1b s LEU 381 Cb 0.13 -4.10 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 1n1b s LEU 381 CO 0.53 -0.60 1.16 -2.16 0.23 0.00 0.00 176.35 175.51 1n1b s PRO 382 N -4.55 2.71 0.21 1.29 0.04 -1.26 -4.73 135.00 128.71 1n1b s PRO 382 Ca 0.51 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1n1b s PRO 382 Cb -0.10 -1.92 0.22 0.00 0.04 0.00 0.00 34.50 32.74 1n1b s PRO 382 CO 0.42 -1.36 1.60 -0.92 0.04 0.00 0.00 177.00 176.78 1n1b h TYR 383 N 0.25 -0.57 0.00 0.56 3.20 -1.95 -0.58 116.97 117.87 1n1b h TYR 383 Ca -0.48 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 1n1b h TYR 383 Cb 1.27 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.89 1n1b h TYR 383 CO 0.50 -0.33 -0.00 0.10 -1.64 0.00 0.00 178.16 176.79 1n1b h TYR 384 N -0.06 0.00 0.01 -3.82 -0.00 -1.95 -0.60 116.97 110.55 1n1b h TYR 384 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.82 1n1b h TYR 384 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 1n1b h TYR 384 CO -0.59 0.00 -0.91 0.52 -0.00 0.00 0.00 178.16 177.18 1n1b h MET 385 N 0.00 0.26 -0.41 0.10 2.86 -1.48 -1.76 114.93 114.50 1n1b h MET 385 Ca -0.00 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1n1b h MET 385 Cb 0.01 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1n1b h MET 385 CO 0.00 1.01 0.25 1.96 1.06 0.00 0.00 176.91 181.19 1n1b h GLN 386 N 0.14 0.55 -0.24 1.72 4.20 -0.33 -0.43 115.11 120.72 1n1b h GLN 386 Ca -0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1n1b h GLN 386 Cb 1.55 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1n1b h GLN 386 CO 0.14 0.41 0.09 1.25 -0.67 0.00 0.00 178.83 180.05 1n1b h LEU 387 N 0.54 0.34 -0.06 1.46 5.85 -1.29 -1.43 115.31 120.72 1n1b h LEU 387 Ca 0.15 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1n1b h LEU 387 Cb -0.01 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1n1b h LEU 387 CO -0.03 0.42 0.03 0.00 -0.34 0.00 0.00 178.44 178.52 1n1b h TYR 389 N -0.00 0.01 -0.45 0.00 3.20 -1.03 -1.37 116.97 117.32 1n1b h TYR 389 Ca 0.02 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1n1b h TYR 389 Cb 0.09 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1n1b h TYR 389 CO -0.04 -0.01 -0.09 2.35 -1.64 0.00 0.00 178.16 178.73 1n1b h TRP 390 N 0.07 0.88 -0.65 -3.82 -0.00 -1.19 -0.05 115.95 111.20 1n1b h TRP 390 Ca 0.08 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 58.80 1n1b h TRP 390 Cb 0.10 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 29.00 1n1b h TRP 390 CO -0.16 0.85 0.32 0.78 -0.00 0.00 0.00 178.44 180.23 1n1b h GLY 391 N 0.98 1.00 0.92 2.65 0.00 -0.79 -0.11 103.07 107.70 1n1b h GLY 391 Ca 0.13 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1n1b h GLY 391 CO 0.03 0.47 -0.05 -2.08 0.00 0.00 0.00 176.54 174.91 1n1b h VAL 392 N 0.89 1.27 -0.71 4.60 2.07 -0.98 -2.02 116.25 121.37 1n1b h VAL 392 Ca 0.22 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1n1b h VAL 392 Cb 0.11 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1n1b h VAL 392 CO -0.03 0.35 0.40 -0.74 0.02 0.00 0.00 177.57 177.58 1n1b h HIS 393 N 0.43 0.74 -0.35 1.57 6.17 -0.73 -1.39 115.15 121.59 1n1b h HIS 393 Ca 0.09 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.10 1n1b h HIS 393 Cb 0.53 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 1n1b h HIS 393 CO 0.05 0.35 -0.16 -0.91 0.71 0.00 0.00 177.93 177.97 1n1b h ASN 394 N 0.74 0.74 -0.27 3.26 2.35 -0.89 -2.07 115.58 119.44 1n1b h ASN 394 Ca 0.32 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1n1b h ASN 394 Cb 0.20 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1n1b h ASN 394 CO -0.19 0.98 0.16 0.22 -1.65 0.00 0.00 177.43 176.96 1n1b h TYR 395 N 0.50 0.36 -0.99 1.19 3.20 -1.00 -0.01 116.97 120.23 1n1b h TYR 395 Ca 0.08 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1n1b h TYR 395 Cb 0.70 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1n1b h TYR 395 CO 0.06 0.28 0.65 0.82 -1.64 0.00 0.00 178.16 178.32 1n1b h ILE 396 N 0.34 1.15 -0.48 1.81 1.08 -1.24 -0.10 117.51 120.07 1n1b h ILE 396 Ca 0.10 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1n1b h ILE 396 Cb 0.02 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.57 1n1b h ILE 396 CO -0.02 0.22 -0.10 0.28 -0.69 0.00 0.00 178.15 177.85 1n1b h SER 397 N 1.23 0.86 -0.41 1.72 0.02 -0.96 -1.45 113.55 114.55 1n1b h SER 397 Ca 0.40 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1n1b h SER 397 Cb 0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1n1b h SER 397 CO -0.14 0.98 0.10 0.44 -1.14 0.00 0.00 176.83 177.07 1n1b h ASP 398 N 0.79 0.62 -0.59 3.07 3.32 0.02 -1.38 116.42 122.27 1n1b h ASP 398 Ca 0.13 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1n1b h ASP 398 Cb 0.61 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1n1b h ASP 398 CO 0.04 0.69 0.38 0.00 -1.72 0.00 0.00 179.24 178.63 1n1b h ALA 399 N 0.96 0.75 -0.65 3.45 0.00 -0.88 -1.01 119.26 121.87 1n1b h ALA 399 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n1b h ALA 399 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1n1b h ALA 399 CO 0.00 0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.88 1n1b h ALA 400 N 1.20 1.53 -0.10 0.00 0.00 -1.03 -1.69 119.26 119.18 1n1b h ALA 400 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1n1b h ALA 400 Cb -0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1n1b h ALA 400 CO -0.04 0.44 0.01 -0.92 0.00 0.00 0.00 179.25 178.73 1n1b h TYR 401 N 0.89 0.18 -0.72 0.00 3.20 -0.32 -1.31 116.97 118.90 1n1b h TYR 401 Ca 0.24 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.15 1n1b h TYR 401 Cb -0.10 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 1n1b h TYR 401 CO 0.00 0.40 0.40 -0.44 -1.64 0.00 0.00 178.16 176.87 1n1b h ASP 402 N -0.08 0.57 -0.21 -2.11 3.32 -0.69 0.37 116.42 117.60 1n1b h ASP 402 Ca 0.03 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1n1b h ASP 402 Cb 0.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1n1b h ASP 402 CO 0.00 0.35 -0.33 0.40 -1.72 0.00 0.00 179.24 177.94 1n1b h ILE 403 N 0.71 1.28 -0.38 0.35 2.04 -1.28 -0.55 117.51 119.68 1n1b h ILE 403 Ca 0.33 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1n1b h ILE 403 Cb 0.25 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1n1b h ILE 403 CO -0.21 0.48 -0.02 0.25 0.00 0.00 0.00 178.15 178.65 1n1b h LEU 404 N 0.61 0.67 -0.24 1.44 5.85 -0.71 0.81 115.31 123.74 1n1b h LEU 404 Ca 0.06 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1n1b h LEU 404 Cb 0.86 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1n1b h LEU 404 CO 0.07 0.83 0.07 0.50 -0.34 0.00 0.00 178.44 179.58 1n1b h LYS 405 N 0.49 0.37 0.10 1.25 3.11 -0.81 0.12 116.57 121.20 1n1b h LYS 405 Ca 0.10 -0.08 -0.18 0.00 -2.81 0.00 0.00 60.65 57.68 1n1b h LYS 405 Cb 0.50 -0.05 0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1n1b h LYS 405 CO 0.02 0.46 -0.76 0.93 -2.81 0.00 0.00 179.45 177.29 1n1b h GLU 406 N 0.22 0.34 -0.01 1.90 4.39 -1.08 -3.39 114.58 116.94 1n1b h GLU 406 Ca 0.08 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1n1b h GLU 406 Cb 0.24 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1n1b h GLU 406 CO -0.00 1.20 0.00 0.72 -1.16 0.00 0.00 179.01 179.77 1n1b n HIS 407 N -4.15 0.00 -1.90 4.33 8.25 0.27 -5.01 115.22 117.02 1n1b n HIS 407 Ca -0.13 -0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 1n1b n HIS 407 Cb 0.78 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.85 1n1b n HIS 407 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n1b n GLY 408 N 0.66 0.71 3.17 -1.41 0.00 0.03 -4.97 105.19 103.38 1n1b n GLY 408 Ca 0.07 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1n1b n GLY 408 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n1b s PHE 409 N -2.74 1.65 -0.42 1.61 5.36 -1.25 -4.99 117.98 117.20 1n1b s PHE 409 Ca 0.00 -0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 55.52 1n1b s PHE 409 Cb 0.00 -1.07 0.06 0.00 -0.34 0.00 0.00 43.02 41.67 1n1b s PHE 409 CO 0.00 -0.05 0.28 0.12 -1.46 0.00 0.00 175.22 174.12 1n1b s PHE 410 N -0.37 3.28 -0.81 10.12 5.36 -1.26 -3.01 117.98 131.29 1n1b s PHE 410 Ca 0.06 -1.13 0.16 0.00 -0.96 0.00 0.00 56.93 55.06 1n1b s PHE 410 Cb -0.08 -2.82 0.58 0.00 -0.34 0.00 0.00 43.02 40.37 1n1b s PHE 410 CO -0.00 -0.75 1.50 0.00 -1.46 0.00 0.00 175.22 174.50 1n1b h LEU 412 N 3.04 0.14 -1.70 0.00 5.85 -1.92 -0.51 115.31 120.21 1n1b h LEU 412 Ca 0.00 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1n1b h LEU 412 Cb 1.31 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 1n1b h LEU 412 CO 0.19 -0.06 0.32 0.06 -0.34 0.00 0.00 178.44 178.61 1n1b h GLN 413 N 0.31 0.35 0.18 1.25 3.07 -2.00 -0.21 115.11 118.05 1n1b h GLN 413 Ca 0.52 -0.02 -0.32 0.00 0.09 0.00 0.00 58.65 58.92 1n1b h GLN 413 Cb 0.98 -0.08 0.01 0.00 0.08 0.00 0.00 27.48 28.47 1n1b h GLN 413 CO -0.56 0.23 -1.48 1.88 0.09 0.00 0.00 178.83 178.99 1n1b h TYR 414 N 0.36 0.67 -0.63 0.06 -1.99 -1.49 -2.95 116.97 111.00 1n1b h TYR 414 Ca 0.21 -0.49 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 1n1b h TYR 414 Cb 0.38 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 1n1b h TYR 414 CO -0.00 1.46 0.30 -0.07 -0.00 0.00 0.00 178.16 179.85 1n1b h LEU 415 N 0.10 0.81 -0.76 3.88 3.38 -0.84 -1.67 115.31 120.22 1n1b h LEU 415 Ca -0.24 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1n1b h LEU 415 Cb 2.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 1n1b h LEU 415 CO 0.21 0.70 0.25 0.03 0.09 0.00 0.00 178.44 179.72 1n1b h ARG 416 N 0.90 1.17 -0.81 1.13 3.08 -1.10 -2.60 114.38 116.14 1n1b h ARG 416 Ca 0.22 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1n1b h ARG 416 Cb 0.10 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1n1b h ARG 416 CO -0.03 0.98 0.36 -0.22 -1.07 0.00 0.00 179.97 179.99 1n1b h LYS 417 N 1.12 1.19 -0.56 0.04 3.64 -1.18 0.25 116.57 121.08 1n1b h LYS 417 Ca 0.25 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1n1b h LYS 417 Cb 0.29 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1n1b h LYS 417 CO -0.01 0.94 0.27 0.77 -2.27 0.00 0.00 179.45 179.15 1n1b h SER 418 N 1.17 0.36 -0.11 4.20 0.02 -0.96 0.18 113.55 118.41 1n1b h SER 418 Ca 0.28 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1n1b h SER 418 Cb 0.17 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1n1b h SER 418 CO -0.03 0.24 -0.40 0.58 -1.14 0.00 0.00 176.83 176.08 1n1b h VAL 419 N 0.50 1.38 -0.43 2.27 2.07 -1.14 -3.03 116.25 117.87 1n1b h VAL 419 Ca 0.26 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1n1b h VAL 419 Cb 0.21 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1n1b h VAL 419 CO -0.20 0.51 0.27 0.58 0.02 0.00 0.00 177.57 178.75 1n1b h VAL 420 N 0.04 1.12 -0.68 2.57 2.07 -0.25 -1.71 116.25 119.41 1n1b h VAL 420 Ca -0.02 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1n1b h VAL 420 Cb 1.03 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1n1b h VAL 420 CO 0.08 0.12 0.45 0.44 0.02 0.00 0.00 177.57 178.69 1n1b h ASP 421 N 0.57 0.73 0.13 0.57 3.32 -1.05 -0.60 116.42 120.09 1n1b h ASP 421 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1n1b h ASP 421 Cb -0.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1n1b h ASP 421 CO -0.03 0.51 -0.06 0.25 -1.72 0.00 0.00 179.24 178.19 1n1b h LEU 422 N 0.86 -0.14 -1.20 1.55 5.85 -1.28 -2.45 115.31 118.49 1n1b h LEU 422 Ca 0.27 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1n1b h LEU 422 Cb 0.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1n1b h LEU 422 CO -0.07 0.21 -0.39 -0.37 -0.34 0.00 0.00 178.44 177.48 1n1b h VAL 423 N -0.51 1.28 -0.22 1.05 -1.51 -1.07 -1.46 116.25 113.82 1n1b h VAL 423 Ca -0.02 -1.35 -0.10 0.00 -1.23 0.00 0.00 66.70 64.00 1n1b h VAL 423 Cb 0.41 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1n1b h VAL 423 CO 0.03 0.39 -0.31 -0.33 -1.23 0.00 0.00 177.57 176.12 1n1b h GLU 424 N 0.01 0.44 -0.40 5.19 5.08 -1.11 0.57 114.58 124.35 1n1b h GLU 424 Ca -0.00 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1n1b h GLU 424 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1n1b h GLU 424 CO 0.05 0.70 -0.33 0.00 -1.00 0.00 0.00 179.01 178.43 1n1b h ALA 425 N 1.30 0.65 -0.48 3.43 0.00 -0.90 -1.07 119.26 122.19 1n1b h ALA 425 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1n1b h ALA 425 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1n1b h ALA 425 CO 0.06 0.67 0.23 1.88 0.00 0.00 0.00 179.25 182.09 1n1b h TYR 426 N 0.76 0.70 -0.73 0.00 0.99 -0.88 -2.02 116.97 115.78 1n1b h TYR 426 Ca 0.08 -0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 1n1b h TYR 426 Cb 0.91 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 38.39 1n1b h TYR 426 CO 0.06 0.56 0.25 0.35 -0.00 0.00 0.00 178.16 179.37 1n1b h PHE 427 N 0.64 1.16 -0.34 4.88 3.57 -0.71 -0.87 116.94 125.26 1n1b h PHE 427 Ca 0.17 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1n1b h PHE 427 Cb 0.12 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1n1b h PHE 427 CO -0.01 0.90 0.21 1.25 -2.23 0.00 0.00 178.31 178.43 1n1b h HIS 428 N 1.08 0.39 -0.53 0.41 2.76 -0.92 -0.68 115.15 117.66 1n1b h HIS 428 Ca 0.24 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1n1b h HIS 428 Cb 0.28 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1n1b h HIS 428 CO 0.02 0.23 0.05 0.93 -1.30 0.00 0.00 177.93 177.86 1n1b h GLU 429 N 0.42 0.86 -0.84 5.26 5.08 -1.02 -2.08 114.58 122.26 1n1b h GLU 429 Ca 0.13 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1n1b h GLU 429 Cb -0.01 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1n1b h GLU 429 CO -0.05 0.83 0.39 0.00 -1.00 0.00 0.00 179.01 179.18 1n1b h ALA 430 N 1.24 1.11 -0.64 3.43 0.00 -0.60 0.21 119.26 124.01 1n1b h ALA 430 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1n1b h ALA 430 Cb 0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1n1b h ALA 430 CO 0.01 0.67 0.22 0.87 0.00 0.00 0.00 179.25 181.02 1n1b h LYS 431 N 1.20 0.98 -0.02 0.00 1.57 -0.74 0.50 116.57 120.06 1n1b h LYS 431 Ca 0.29 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n1b h LYS 431 Cb 0.13 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1n1b h LYS 431 CO -0.03 0.85 0.01 -1.49 -0.57 0.00 0.00 179.45 178.21 1n1b h TRP 432 N 0.91 0.02 -0.26 -1.35 6.55 -0.82 -2.35 115.95 118.65 1n1b h TRP 432 Ca 0.21 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.05 1n1b h TRP 432 Cb 0.26 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 1n1b h TRP 432 CO 0.02 0.04 0.15 -0.92 -1.05 0.00 0.00 178.44 176.68 1n1b h TYR 433 N -0.00 0.36 0.00 0.49 3.20 -0.69 -0.75 116.97 119.57 1n1b h TYR 433 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1n1b h TYR 433 Cb 0.02 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1n1b h TYR 433 CO -0.07 0.29 -0.04 0.45 -1.64 0.00 0.00 178.16 177.15 1n1b h HIS 434 N 0.32 0.00 0.00 -3.82 3.86 -0.85 -2.44 115.15 112.22 1n1b h HIS 434 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1n1b h HIS 434 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1n1b h HIS 434 CO -0.04 0.04 -1.12 -1.13 0.86 0.00 0.00 177.93 176.54 1n1b n SER 435 N -3.21 0.59 0.00 2.45 3.41 -0.89 -4.96 113.62 111.01 1n1b n SER 435 Ca -0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1n1b n SER 435 Cb 0.24 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1n1b n SER 435 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n1b n GLY 436 N 1.32 0.57 3.74 5.00 0.00 -0.36 -5.03 105.19 110.44 1n1b n GLY 436 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1n1b n GLY 436 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n1b s TYR 437 N -2.00 3.64 -0.31 1.61 5.04 -0.79 -5.02 117.35 119.51 1n1b s TYR 437 Ca 0.00 1.64 -0.03 0.00 -2.44 0.00 0.00 57.07 56.23 1n1b s TYR 437 Cb 0.00 -3.23 0.05 0.00 0.35 0.00 0.00 41.96 39.12 1n1b s TYR 437 CO 0.00 -0.46 0.03 0.99 -1.34 0.00 0.00 175.55 174.78 1n1b s THR 438 N -0.22 3.22 0.77 4.34 2.01 -1.26 -4.62 115.64 119.89 1n1b s THR 438 Ca 0.49 -1.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1n1b s THR 438 Cb -0.28 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.43 1n1b s THR 438 CO 0.34 -0.14 1.09 -2.84 -0.69 0.00 0.00 174.62 172.38 1n1b s PRO 439 N 1.29 2.25 0.97 4.92 0.02 -1.26 -5.03 135.00 138.16 1n1b s PRO 439 Ca -0.04 1.11 -0.12 0.00 0.02 0.00 0.00 61.00 61.96 1n1b s PRO 439 Cb -0.20 -1.90 0.17 0.00 0.02 0.00 0.00 34.50 32.60 1n1b s PRO 439 CO -0.00 -1.63 1.11 -1.54 -0.33 0.00 0.00 177.00 174.61 1n1b s SER 440 N -3.45 2.90 0.16 2.53 1.04 -1.26 -4.74 113.70 110.87 1n1b s SER 440 Ca 0.61 1.10 -0.15 0.00 0.48 0.00 0.00 55.95 57.99 1n1b s SER 440 Cb -0.17 -1.74 0.03 0.00 0.10 0.00 0.00 66.02 64.24 1n1b s SER 440 CO 0.56 -2.95 1.82 0.25 0.98 0.00 0.00 173.24 173.90 1n1b h LEU 441 N -1.77 0.52 -0.55 2.42 5.85 -1.94 -0.87 115.31 118.98 1n1b h LEU 441 Ca -0.53 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.03 1n1b h LEU 441 Cb 1.33 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1n1b h LEU 441 CO 0.59 0.39 -0.25 0.44 -0.34 0.00 0.00 178.44 179.27 1n1b h ASP 442 N 0.61 0.93 -0.78 1.25 5.19 -1.97 -0.77 116.42 120.88 1n1b h ASP 442 Ca 0.16 -0.36 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1n1b h ASP 442 Cb -0.05 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.17 1n1b h ASP 442 CO -0.03 1.12 0.29 -0.08 -3.12 0.00 0.00 179.24 177.41 1n1b h GLU 443 N 0.77 1.18 0.45 3.56 4.81 -1.89 -1.33 114.58 122.13 1n1b h GLU 443 Ca 0.10 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1n1b h GLU 443 Cb 0.80 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1n1b h GLU 443 CO 0.07 0.97 -0.22 -0.92 -0.73 0.00 0.00 179.01 178.18 1n1b h TYR 444 N 1.14 -0.56 -0.19 0.92 3.20 -0.90 -3.16 116.97 117.42 1n1b h TYR 444 Ca 0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1n1b h TYR 444 Cb 0.25 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1n1b h TYR 444 CO 0.02 -0.28 0.13 -0.07 -1.64 0.00 0.00 178.16 176.32 1n1b h LEU 445 N -0.77 0.19 -1.76 2.82 3.38 -1.04 0.18 115.31 118.31 1n1b h LEU 445 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1n1b h LEU 445 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1n1b h LEU 445 CO 0.10 0.14 0.06 -1.13 0.09 0.00 0.00 178.44 177.70 1n1b h ASN 446 N 0.23 0.19 0.06 -0.43 -1.24 -1.21 -1.03 115.58 112.15 1n1b h ASN 446 Ca 0.07 -0.01 -0.36 0.00 0.71 0.00 0.00 56.30 56.71 1n1b h ASN 446 Cb 0.01 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 1n1b h ASN 446 CO -0.01 0.18 -2.07 -0.38 -1.29 0.00 0.00 177.43 173.86 1n1b n ILE 447 N -4.47 1.65 0.27 2.57 2.08 -0.57 -4.39 119.36 116.50 1n1b n ILE 447 Ca -0.01 -0.51 0.12 0.00 0.56 0.00 0.00 62.75 62.91 1n1b n ILE 447 Cb 0.11 -1.71 0.75 0.00 -0.75 0.00 0.00 39.64 38.04 1n1b n ILE 447 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n1b h ALA 448 N -0.13 1.55 0.00 -1.39 0.00 -0.55 -0.46 119.26 118.28 1n1b h ALA 448 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1n1b h ALA 448 Cb 1.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1n1b h ALA 448 CO -0.05 0.09 0.00 0.36 0.00 0.00 0.00 179.25 179.64 1n1b n LYS 449 N -3.96 0.13 -0.13 0.00 2.85 -0.40 -1.65 118.16 115.00 1n1b n LYS 449 Ca -0.03 0.32 -0.23 0.00 -1.05 0.00 0.00 58.31 57.33 1n1b n LYS 449 Cb 0.16 -1.73 -0.11 0.00 -0.65 0.00 0.00 35.03 32.70 1n1b n LYS 449 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n1b n ILE 450 N -1.98 1.45 0.31 0.58 2.08 -0.29 -4.38 119.36 117.12 1n1b n ILE 450 Ca 0.03 -0.46 0.19 0.00 0.56 0.00 0.00 62.75 63.07 1n1b n ILE 450 Cb 0.24 -1.61 0.90 0.00 -0.75 0.00 0.00 39.64 38.42 1n1b n ILE 450 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1n1b h SER 451 N -0.46 0.00 0.71 4.38 4.64 -1.19 -0.93 113.55 120.70 1n1b h SER 451 Ca -0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1n1b h SER 451 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1n1b h SER 451 CO -0.24 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.27 1n1b n VAL 452 N -3.03 0.77 -0.86 0.95 3.14 -0.66 -4.91 118.33 113.73 1n1b n VAL 452 Ca -0.01 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1n1b n VAL 452 Cb 0.20 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1n1b n VAL 452 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n1b n ALA 453 N -1.59 0.00 -0.16 1.55 0.00 -0.36 -4.95 120.51 115.00 1n1b n ALA 453 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1n1b n ALA 453 Cb 0.23 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.75 1n1b n ALA 453 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1n1b h SER 454 N 0.00 0.16 -0.64 0.00 0.02 -1.79 0.20 113.55 111.49 1n1b h SER 454 Ca 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1n1b h SER 454 Cb 0.00 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1n1b h SER 454 CO 0.00 0.12 0.24 -0.65 -1.14 0.00 0.00 176.83 175.40 1n1b h PRO 455 N 0.34 1.00 -0.02 3.45 0.11 -1.81 -0.09 132.00 134.99 1n1b h PRO 455 Ca 0.24 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1n1b h PRO 455 Cb 0.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1n1b h PRO 455 CO -0.26 0.83 -0.31 0.00 -0.21 0.00 0.00 178.00 178.05 1n1b h ALA 456 N 1.29 1.44 0.16 -0.75 0.00 -1.53 -1.41 119.26 118.46 1n1b h ALA 456 Ca 0.22 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1n1b h ALA 456 Cb 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n1b h ALA 456 CO -0.02 0.41 -1.28 0.82 0.00 0.00 0.00 179.25 179.19 1n1b h ILE 457 N 0.04 1.22 -0.01 0.00 2.04 -0.62 -3.38 117.51 116.79 1n1b h ILE 457 Ca 0.00 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.34 1n1b h ILE 457 Cb 0.57 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1n1b h ILE 457 CO 0.04 0.75 -0.03 0.40 0.00 0.00 0.00 178.15 179.31 1n1b h ILE 458 N -0.19 1.47 -0.93 -0.67 2.04 -0.99 -3.36 117.51 114.88 1n1b h ILE 458 Ca -0.25 -1.43 0.14 0.00 1.00 0.00 0.00 64.86 64.32 1n1b h ILE 458 Cb 1.84 2.41 -0.09 0.00 -0.74 0.00 0.00 36.82 40.24 1n1b h ILE 458 CO 0.14 0.38 0.54 0.77 0.00 0.00 0.00 178.15 179.98 1n1b h SER 459 N -0.54 0.74 0.24 1.72 4.64 -1.46 -1.39 113.55 117.51 1n1b h SER 459 Ca -0.00 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1n1b h SER 459 Cb 0.63 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1n1b h SER 459 CO 0.01 0.36 -0.24 -0.65 -0.87 0.00 0.00 176.83 175.43 1n1b h PRO 460 N 0.81 0.00 0.00 4.77 0.11 -1.74 -2.65 132.00 133.30 1n1b h PRO 460 Ca 0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.56 1n1b h PRO 460 Cb 0.59 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1n1b h PRO 460 CO -0.31 0.24 -0.14 1.79 -0.21 0.00 0.00 178.00 179.37 1n1b h THR 461 N 0.00 0.44 -0.63 -1.15 1.35 -1.39 -3.09 112.91 108.44 1n1b h THR 461 Ca -0.00 -0.78 0.13 0.00 -0.55 0.00 0.00 66.41 65.21 1n1b h THR 461 Cb 0.43 1.55 -0.11 0.00 -1.73 0.00 0.00 68.15 68.29 1n1b h THR 461 CO 0.03 0.14 -0.01 0.22 -0.25 0.00 0.00 175.52 175.66 1n1b h TYR 462 N 0.00 -0.05 0.00 4.73 3.20 -1.45 -1.32 116.97 122.08 1n1b h TYR 462 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1n1b h TYR 462 Cb 0.54 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1n1b h TYR 462 CO 0.00 -0.18 0.00 1.19 -1.64 0.00 0.00 178.16 177.53 1n1b n PHE 463 N -5.29 0.00 1.31 -3.82 3.01 -1.17 -2.96 117.46 108.54 1n1b n PHE 463 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.69 1n1b n PHE 463 Cb 0.36 -0.45 0.45 0.00 -0.01 0.00 0.00 39.48 39.83 1n1b n PHE 463 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n1b n THR 464 N -1.45 0.00 -3.41 4.37 -2.24 -0.50 -4.86 114.28 106.19 1n1b n THR 464 Ca 0.05 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 1n1b n THR 464 Cb 0.17 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1n1b n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n1b s PHE 465 N -2.44 3.55 0.57 4.78 0.40 -1.16 -4.96 117.98 118.72 1n1b s PHE 465 Ca 0.27 0.84 0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1n1b s PHE 465 Cb 0.20 -2.44 1.63 0.00 0.51 0.00 0.00 43.02 42.92 1n1b s PHE 465 CO 0.49 0.29 2.17 0.00 0.70 0.00 0.00 175.22 178.87 1n1b h ALA 466 N 6.27 1.78 -0.55 5.36 0.00 -1.91 -1.70 119.26 128.50 1n1b h ALA 466 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n1b h ALA 466 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n1b h ALA 466 CO 0.72 -0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.10 1n1b n ASN 467 N -4.00 4.24 -4.74 0.00 6.94 -1.26 -4.95 115.26 111.49 1n1b n ASN 467 Ca -0.01 -2.42 -0.40 0.00 -0.02 0.00 0.00 54.58 51.73 1n1b n ASN 467 Cb 0.20 -0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 1n1b n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n1b s ALA 468 N -1.87 3.34 0.43 -2.53 0.00 -0.64 -4.79 121.76 115.69 1n1b s ALA 468 Ca 0.44 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1n1b s ALA 468 Cb 0.29 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 1n1b s ALA 468 CO 0.20 0.02 1.03 0.45 0.00 0.00 0.00 175.76 177.46 1n1b s SER 469 N -0.68 6.64 0.00 0.00 0.15 -1.26 -4.95 113.70 113.60 1n1b s SER 469 Ca 0.44 1.96 0.21 0.00 0.70 0.00 0.00 55.95 59.27 1n1b s SER 469 Cb -0.27 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 61.79 1n1b s SER 469 CO 0.34 -0.57 1.29 1.41 1.20 0.00 0.00 173.24 176.91 1n1b n HIS 470 N -0.42 0.33 -2.18 3.44 8.25 -1.26 -4.82 115.22 118.56 1n1b n HIS 470 Ca 0.07 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 1n1b n HIS 470 Cb 0.51 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 1n1b n HIS 470 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1n1b s ASP 471 N -1.48 6.82 0.37 0.41 -1.08 -1.26 -4.92 116.67 115.53 1n1b s ASP 471 Ca 0.32 2.18 0.10 0.00 -0.52 0.00 0.00 52.55 54.63 1n1b s ASP 471 Cb 0.20 -2.56 0.85 0.00 -1.46 0.00 0.00 42.92 39.95 1n1b s ASP 471 CO 0.28 -0.73 1.89 0.74 0.52 0.00 0.00 175.17 177.86 1n1b h THR 472 N 4.85 0.85 -0.60 1.71 2.02 -1.99 -1.06 112.91 118.68 1n1b h THR 472 Ca -0.39 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 1n1b h THR 472 Cb 1.18 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1n1b h THR 472 CO 0.90 0.12 0.02 0.00 0.37 0.00 0.00 175.52 176.93 1n1b h ALA 473 N 1.61 0.90 -0.17 6.16 0.00 -1.99 -0.15 119.26 125.63 1n1b h ALA 473 Ca 0.42 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1n1b h ALA 473 Cb 0.70 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n1b h ALA 473 CO -0.18 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 179.94 1n1b h VAL 474 N 0.95 1.30 -0.66 0.00 2.07 -1.63 -2.01 116.25 116.27 1n1b h VAL 474 Ca 0.17 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1n1b h VAL 474 Cb 0.52 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1n1b h VAL 474 CO 0.03 0.32 0.35 0.40 0.02 0.00 0.00 177.57 178.69 1n1b h ILE 475 N 0.03 1.21 -0.42 4.57 2.04 -1.23 -1.88 117.51 121.82 1n1b h ILE 475 Ca 0.04 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1n1b h ILE 475 Cb 0.53 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1n1b h ILE 475 CO 0.02 0.24 0.19 0.44 0.00 0.00 0.00 178.15 179.03 1n1b h ASP 476 N 0.91 0.53 -0.53 1.72 3.32 -0.98 -0.97 116.42 120.42 1n1b h ASP 476 Ca 0.23 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1n1b h ASP 476 Cb 0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1n1b h ASP 476 CO -0.03 0.47 0.26 -1.28 -1.72 0.00 0.00 179.24 176.94 1n1b h SER 477 N 0.60 0.69 -0.47 6.45 0.87 -0.60 -1.01 113.55 120.08 1n1b h SER 477 Ca 0.15 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1n1b h SER 477 Cb 0.09 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1n1b h SER 477 CO -0.02 0.63 0.30 0.25 -0.53 0.00 0.00 176.83 177.45 1n1b h LEU 478 N 0.71 0.50 -0.12 2.23 5.85 -0.65 -3.06 115.31 120.77 1n1b h LEU 478 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1n1b h LEU 478 Cb 0.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1n1b h LEU 478 CO -0.02 0.36 -0.10 -1.22 -0.34 0.00 0.00 178.44 177.11 1n1b n TYR 479 N -4.79 0.00 0.64 1.25 4.02 -0.47 -1.99 117.16 115.83 1n1b n TYR 479 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.01 1n1b n TYR 479 Cb 0.04 -0.26 0.42 0.00 -0.02 0.00 0.00 39.34 39.51 1n1b n TYR 479 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n1b n GLN 480 N -1.17 0.02 -1.44 -0.72 10.64 -0.42 -4.83 117.38 119.46 1n1b n GLN 480 Ca 0.12 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 1n1b n GLN 480 Cb 0.28 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 1n1b n GLN 480 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1n1b n TYR 481 N -1.57 0.00 -1.32 2.61 0.53 -0.91 -5.02 117.16 111.47 1n1b n TYR 481 Ca 0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.57 1n1b n TYR 481 Cb 0.23 -1.44 0.09 0.00 -1.03 0.00 0.00 39.34 37.19 1n1b n TYR 481 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1n1b n HIS 482 N 0.01 0.54 -0.34 -0.72 -0.00 -0.84 -4.67 115.22 109.21 1n1b n HIS 482 Ca 0.00 0.39 0.19 0.00 -0.00 0.00 0.00 57.72 58.30 1n1b n HIS 482 Cb 0.00 -2.06 0.42 0.00 -0.00 0.00 0.00 29.99 28.35 1n1b n HIS 482 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1n1b h ASP 483 N -0.33 0.61 -0.93 0.26 3.45 -1.93 -0.84 116.42 116.71 1n1b h ASP 483 Ca -0.47 0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.12 1n1b h ASP 483 Cb 1.33 0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 40.07 1n1b h ASP 483 CO 0.46 0.12 0.61 0.40 -1.57 0.00 0.00 179.24 179.26 1n1b h ILE 484 N 0.54 1.22 -0.13 0.35 2.04 -1.96 0.99 117.51 120.56 1n1b h ILE 484 Ca 0.62 -0.43 -0.22 0.00 1.00 0.00 0.00 64.86 65.84 1n1b h ILE 484 Cb 1.29 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1n1b h ILE 484 CO -0.40 0.23 -0.77 -0.07 0.00 0.00 0.00 178.15 177.13 1n1b h LEU 485 N 1.24 0.84 -0.55 1.44 3.38 -1.51 -2.02 115.31 118.14 1n1b h LEU 485 Ca 0.35 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1n1b h LEU 485 Cb -0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1n1b h LEU 485 CO -0.08 1.34 0.23 0.00 0.09 0.00 0.00 178.44 180.02 1n1b h LEU 487 N 0.75 0.38 -1.42 0.00 3.38 -0.81 -0.81 115.31 116.78 1n1b h LEU 487 Ca 0.18 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1n1b h LEU 487 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1n1b h LEU 487 CO -0.02 0.61 -0.29 0.00 0.09 0.00 0.00 178.44 178.84 1n1b h ALA 488 N 1.42 1.41 -0.12 1.53 0.00 -1.02 0.97 119.26 123.46 1n1b h ALA 488 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1n1b h ALA 488 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1n1b h ALA 488 CO 0.04 0.36 -0.23 0.78 0.00 0.00 0.00 179.25 180.20 1n1b h GLY 489 N 1.02 0.39 0.92 0.00 0.00 -0.39 -2.75 103.07 102.26 1n1b h GLY 489 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1n1b h GLY 489 CO 0.04 0.41 0.02 -2.22 0.00 0.00 0.00 176.54 174.79 1n1b h ILE 490 N -0.07 1.08 0.00 2.60 1.08 -0.70 0.62 117.51 122.13 1n1b h ILE 490 Ca 0.00 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1n1b h ILE 490 Cb 0.81 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1n1b h ILE 490 CO 0.05 0.07 -0.15 0.40 -0.69 0.00 0.00 178.15 177.83 1n1b h ILE 491 N -0.03 0.80 0.12 -0.67 2.04 -0.90 -1.06 117.51 117.80 1n1b h ILE 491 Ca 0.01 -0.57 -0.20 0.00 1.00 0.00 0.00 64.86 65.11 1n1b h ILE 491 Cb 0.09 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1n1b h ILE 491 CO -0.00 0.14 -0.92 0.25 0.00 0.00 0.00 178.15 177.62 1n1b h LEU 492 N 0.00 0.38 -0.36 1.44 5.85 -1.31 -3.37 115.31 117.94 1n1b h LEU 492 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1n1b h LEU 492 Cb 0.33 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1n1b h LEU 492 CO 0.02 1.42 0.24 -0.09 -0.34 0.00 0.00 178.44 179.69 1n1b h ARG 493 N -0.44 0.47 0.55 1.25 9.65 -0.49 -2.56 114.38 122.82 1n1b h ARG 493 Ca -0.18 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1n1b h ARG 493 Cb 1.60 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1n1b h ARG 493 CO 0.10 0.31 -0.30 -0.07 2.80 0.00 0.00 179.97 182.81 1n1b h LEU 494 N 0.49 -0.74 -1.33 3.80 3.38 -1.39 0.23 115.31 119.74 1n1b h LEU 494 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n1b h LEU 494 Cb -0.05 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1n1b h LEU 494 CO -0.03 -0.49 0.35 -0.65 0.09 0.00 0.00 178.44 177.70 1n1b h PRO 495 N -0.80 0.80 0.32 1.13 0.11 -1.72 -0.55 132.00 131.30 1n1b h PRO 495 Ca -0.07 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1n1b h PRO 495 Cb 0.63 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1n1b h PRO 495 CO 0.10 0.57 -0.15 0.22 -0.21 0.00 0.00 178.00 178.52 1n1b h ASP 496 N 0.81 -0.37 -0.67 -2.05 1.82 -1.18 -2.34 116.42 112.45 1n1b h ASP 496 Ca 0.21 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.77 1n1b h ASP 496 Cb -0.02 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 1n1b h ASP 496 CO -0.04 -0.21 0.24 0.44 -1.61 0.00 0.00 179.24 178.07 1n1b h ASP 497 N -0.50 0.97 0.37 2.28 5.19 -0.73 -0.13 116.42 123.87 1n1b h ASP 497 Ca -0.04 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1n1b h ASP 497 Cb 0.38 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1n1b h ASP 497 CO 0.07 0.89 0.00 -0.11 -3.12 0.00 0.00 179.24 176.97 1n1b n LEU 498 N -4.28 0.19 -0.00 1.55 7.94 -0.23 -3.10 117.00 119.07 1n1b n LEU 498 Ca 0.06 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1n1b n LEU 498 Cb 0.20 -0.55 -0.00 0.00 0.53 0.00 0.00 43.42 43.60 1n1b n LEU 498 CO 0.40 -0.45 -0.48 0.61 -1.11 0.00 0.00 177.39 176.37 1n1b n GLY 499 N -0.51 0.04 3.40 -3.96 0.00 -0.83 -4.87 105.19 98.46 1n1b n GLY 499 Ca 0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1n1b n GLY 499 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n1b s THR 500 N -1.97 2.16 0.00 2.61 -4.23 -0.12 -2.83 115.64 111.27 1n1b s THR 500 Ca -0.00 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1n1b s THR 500 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1n1b s THR 500 CO 0.01 -0.30 0.00 0.47 -0.54 0.00 0.00 174.62 174.26 1n1b n ASP 509 N -0.03 0.00 -4.47 3.99 8.00 -1.26 -4.71 116.55 118.07 1n1b n ASP 509 Ca -0.10 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.06 1n1b n ASP 509 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 1n1b n ASP 509 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n1b s VAL 510 N 0.00 3.63 -0.04 2.53 1.01 -1.26 -5.09 120.40 121.19 1n1b s VAL 510 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1n1b s VAL 510 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1n1b s VAL 510 CO 0.00 0.51 1.55 -2.84 0.00 0.00 0.00 175.10 174.32 1n1b s PRO 511 N 0.24 4.21 0.00 2.72 0.02 -1.26 -5.00 135.00 135.93 1n1b s PRO 511 Ca -0.05 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1n1b s PRO 511 Cb -0.14 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.56 1n1b s PRO 511 CO 0.04 -0.75 0.00 1.63 -0.33 0.00 0.00 177.00 177.58 1n1b n LYS 512 N 6.46 2.74 -0.26 5.54 5.02 -1.26 -4.84 118.16 131.56 1n1b n LYS 512 Ca 0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1n1b n LYS 512 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.34 1n1b n LYS 512 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1n1b h THR 513 N 0.61 0.00 0.29 -0.18 2.02 -1.95 0.93 112.91 114.63 1n1b h THR 513 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1n1b h THR 513 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1n1b h THR 513 CO 0.00 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 176.03 1n1b h ILE 514 N -0.23 0.44 -0.18 3.11 1.08 -1.94 -1.53 117.51 118.27 1n1b h ILE 514 Ca 0.11 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.63 1n1b h ILE 514 Cb 0.52 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 1n1b h ILE 514 CO -0.75 0.00 -0.16 1.56 -0.69 0.00 0.00 178.15 178.11 1n1b h GLN 515 N -0.57 -0.17 -0.85 2.37 7.50 -1.84 -0.51 115.11 121.03 1n1b h GLN 515 Ca -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1n1b h GLN 515 Cb 0.52 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.05 1n1b h GLN 515 CO -0.04 -0.11 0.50 0.00 -1.50 0.00 0.00 178.83 177.67 1n1b h TYR 517 N 1.18 0.88 -0.56 0.00 3.20 -0.82 -2.27 116.97 118.57 1n1b h TYR 517 Ca 0.30 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 1n1b h TYR 517 Cb -0.02 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1n1b h TYR 517 CO 0.01 0.99 0.01 0.52 -1.64 0.00 0.00 178.16 178.04 1n1b h MET 518 N 0.52 0.98 0.00 1.82 2.86 -0.89 -1.27 114.93 118.95 1n1b h MET 518 Ca 0.06 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 1n1b h MET 518 Cb 0.80 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1n1b h MET 518 CO 0.06 0.98 -0.31 -0.22 1.06 0.00 0.00 176.91 178.48 1n1b h LYS 519 N 0.86 0.00 0.00 1.72 3.64 -1.27 0.72 116.57 122.24 1n1b h LYS 519 Ca 0.16 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 1n1b h LYS 519 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1n1b h LYS 519 CO 0.03 0.31 -1.27 1.49 -2.27 0.00 0.00 179.45 177.74 1n1b h GLU 520 N 0.00 0.00 0.00 1.90 4.81 -1.14 -3.39 114.58 116.77 1n1b h GLU 520 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n1b h GLU 520 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1n1b h GLU 520 CO 0.04 0.64 0.00 0.25 -0.73 0.00 0.00 179.01 179.21 1n1b n THR 521 N -3.15 0.00 -1.36 0.32 -2.24 -0.50 -4.99 114.28 102.36 1n1b n THR 521 Ca -0.08 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 1n1b n THR 521 Cb 0.94 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 70.20 1n1b n THR 521 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1n1b n ASN 522 N -0.11 -5.64 -4.74 3.42 3.02 0.25 -4.94 115.26 106.53 1n1b n ASN 522 Ca 0.00 0.31 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 1n1b n ASN 522 Cb 0.02 -4.24 0.11 0.00 -0.61 0.00 0.00 39.78 35.07 1n1b n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1b s ALA 523 N -2.09 2.02 0.67 5.41 0.00 -1.23 -5.01 121.76 121.52 1n1b s ALA 523 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1n1b s ALA 523 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1n1b s ALA 523 CO 0.00 -2.05 1.07 -1.54 0.00 0.00 0.00 175.76 173.24 1n1b s SER 524 N -3.02 5.79 0.33 0.00 1.04 -1.26 -4.73 113.70 111.84 1n1b s SER 524 Ca 0.64 1.25 0.01 0.00 0.48 0.00 0.00 55.95 58.33 1n1b s SER 524 Cb -0.20 -2.16 0.56 0.00 0.10 0.00 0.00 66.02 64.32 1n1b s SER 524 CO 0.55 -1.13 1.97 -0.08 0.98 0.00 0.00 173.24 175.53 1n1b h GLU 525 N -0.50 0.94 -0.61 4.02 4.81 -1.98 0.16 114.58 121.41 1n1b h GLU 525 Ca -0.45 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1n1b h GLU 525 Cb 1.23 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1n1b h GLU 525 CO 0.63 0.62 0.19 0.93 -0.73 0.00 0.00 179.01 180.65 1n1b h GLU 526 N 0.97 0.95 -0.14 1.92 3.07 -1.99 -0.44 114.58 118.92 1n1b h GLU 526 Ca 0.29 -0.20 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 1n1b h GLU 526 Cb -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1n1b h GLU 526 CO -0.08 0.84 -0.47 0.93 -1.40 0.00 0.00 179.01 178.84 1n1b h GLU 527 N 0.87 0.35 -0.19 2.33 5.08 -1.66 -1.96 114.58 119.39 1n1b h GLU 527 Ca 0.20 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1n1b h GLU 527 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1n1b h GLU 527 CO -0.01 0.74 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1n1b h ALA 528 N 1.23 0.26 -0.86 3.43 0.00 -0.30 -0.36 119.26 122.66 1n1b h ALA 528 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n1b h ALA 528 Cb 0.93 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1n1b h ALA 528 CO 0.08 -0.03 0.57 0.28 0.00 0.00 0.00 179.25 180.14 1n1b h VAL 529 N 0.10 1.21 -0.06 0.00 2.07 -1.00 -0.33 116.25 118.24 1n1b h VAL 529 Ca 0.06 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1n1b h VAL 529 Cb 0.38 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1n1b h VAL 529 CO 0.01 0.21 -0.40 -0.08 0.02 0.00 0.00 177.57 177.33 1n1b h GLU 530 N 1.16 0.13 -0.28 1.57 4.57 -1.18 -2.10 114.58 118.45 1n1b h GLU 530 Ca 0.32 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.27 1n1b h GLU 530 Cb -0.12 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1n1b h GLU 530 CO -0.07 0.52 -0.48 1.25 -1.18 0.00 0.00 179.01 179.04 1n1b h HIS 531 N 0.11 1.02 -0.84 0.92 2.76 -0.13 -2.61 115.15 116.39 1n1b h HIS 531 Ca 0.01 -0.36 -0.03 0.00 -2.20 0.00 0.00 60.37 57.79 1n1b h HIS 531 Cb 0.77 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 1n1b h HIS 531 CO 0.01 1.17 0.41 0.28 -1.30 0.00 0.00 177.93 178.49 1n1b h VAL 532 N 0.58 1.26 -0.55 5.26 2.07 -0.84 0.76 116.25 124.79 1n1b h VAL 532 Ca 0.02 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1n1b h VAL 532 Cb 1.09 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1n1b h VAL 532 CO 0.11 0.31 0.29 0.11 0.02 0.00 0.00 177.57 178.41 1n1b h LYS 533 N 1.19 0.75 -0.29 1.57 1.57 -1.31 -0.32 116.57 119.73 1n1b h LYS 533 Ca 0.29 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1n1b h LYS 533 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1n1b h LYS 533 CO -0.04 0.56 -0.15 0.35 -0.57 0.00 0.00 179.45 179.61 1n1b h PHE 534 N 0.76 0.71 -0.45 -1.35 3.57 -0.90 -2.55 116.94 116.73 1n1b h PHE 534 Ca 0.19 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1n1b h PHE 534 Cb 0.04 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1n1b h PHE 534 CO 0.00 0.85 0.20 -0.07 -2.23 0.00 0.00 178.31 177.07 1n1b h LEU 535 N 0.36 0.57 -0.30 0.59 3.38 -0.09 -0.80 115.31 119.01 1n1b h LEU 535 Ca 0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n1b h LEU 535 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1n1b h LEU 535 CO 0.04 0.50 0.01 0.40 0.09 0.00 0.00 178.44 179.48 1n1b h ILE 536 N 0.63 1.25 -0.81 1.22 2.04 -0.96 0.19 117.51 121.07 1n1b h ILE 536 Ca 0.16 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1n1b h ILE 536 Cb 0.10 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1n1b h ILE 536 CO -0.02 0.29 0.44 0.03 0.00 0.00 0.00 178.15 178.89 1n1b h ARG 537 N 0.31 1.14 -0.63 2.37 3.08 -1.02 -1.20 114.38 118.43 1n1b h ARG 537 Ca 0.09 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1n1b h ARG 537 Cb 0.41 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1n1b h ARG 537 CO 0.01 0.85 0.03 1.49 -1.07 0.00 0.00 179.97 181.28 1n1b h GLU 538 N 1.13 1.09 -0.69 0.04 4.57 -0.92 -1.72 114.58 118.08 1n1b h GLU 538 Ca 0.28 -0.33 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1n1b h GLU 538 Cb 0.05 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1n1b h GLU 538 CO -0.04 1.04 0.29 0.00 -1.18 0.00 0.00 179.01 179.11 1n1b h ALA 539 N 1.02 0.90 -0.29 2.92 0.00 -0.14 -0.89 119.26 122.78 1n1b h ALA 539 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n1b h ALA 539 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1n1b h ALA 539 CO 0.03 0.51 -0.25 -1.49 0.00 0.00 0.00 179.25 178.05 1n1b h TRP 540 N 0.99 0.65 -0.44 0.00 4.06 -1.00 0.13 115.95 120.34 1n1b h TRP 540 Ca 0.23 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 1n1b h TRP 540 Cb 0.19 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1n1b h TRP 540 CO 0.01 0.78 0.17 -0.22 -3.56 0.00 0.00 178.44 175.62 1n1b h LYS 541 N 0.50 0.66 -0.54 0.49 3.64 -0.92 0.20 116.57 120.60 1n1b h LYS 541 Ca 0.07 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1n1b h LYS 541 Cb 0.70 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1n1b h LYS 541 CO 0.05 0.61 0.33 -0.44 -2.27 0.00 0.00 179.45 177.73 1n1b h ASP 542 N 0.56 0.64 -0.24 4.20 3.32 -0.81 -0.96 116.42 123.13 1n1b h ASP 542 Ca 0.15 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n1b h ASP 542 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1n1b h ASP 542 CO -0.01 0.50 0.14 -0.03 -1.72 0.00 0.00 179.24 178.12 1n1b h MET 543 N 0.73 0.33 -0.86 3.56 4.05 -0.57 0.78 114.93 122.94 1n1b h MET 543 Ca 0.19 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 1n1b h MET 543 Cb -0.03 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.64 1n1b h MET 543 CO -0.04 0.28 0.53 -0.91 0.23 0.00 0.00 176.91 177.00 1n1b h ASN 544 N 0.29 0.83 -0.13 1.39 2.35 -0.37 -1.01 115.58 118.93 1n1b h ASN 544 Ca 0.09 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1n1b h ASN 544 Cb 0.04 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1n1b h ASN 544 CO -0.01 0.52 -0.02 0.74 -1.65 0.00 0.00 177.43 177.00 1n1b h THR 545 N 0.95 1.28 -0.51 2.81 2.02 -0.67 -1.99 112.91 116.81 1n1b h THR 545 Ca 0.38 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1n1b h THR 545 Cb 0.21 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1n1b h THR 545 CO -0.19 0.27 0.32 0.00 0.37 0.00 0.00 175.52 176.29 1n1b h ALA 546 N 0.71 0.65 -0.58 6.16 0.00 -0.52 -0.10 119.26 125.58 1n1b h ALA 546 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1n1b h ALA 546 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1n1b h ALA 546 CO 0.01 0.04 0.18 0.82 0.00 0.00 0.00 179.25 180.30 1n1b h ILE 547 N 0.64 1.24 0.00 0.00 2.04 -1.20 -2.60 117.51 117.62 1n1b h ILE 547 Ca 0.20 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1n1b h ILE 547 Cb -0.02 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1n1b h ILE 547 CO -0.07 0.31 -0.27 0.00 0.00 0.00 0.00 178.15 178.12 1n1b h ALA 548 N 1.05 1.22 0.00 1.87 0.00 -0.92 -2.63 119.26 119.85 1n1b h ALA 548 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n1b h ALA 548 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n1b h ALA 548 CO -0.01 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1n1b n ALA 549 N -2.33 1.57 0.00 0.00 0.00 -0.09 -4.99 120.51 114.67 1n1b n ALA 549 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1n1b n ALA 549 Cb 0.37 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1n1b n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n1b n GLY 550 N -0.18 0.92 3.40 0.00 0.00 -0.99 -5.10 105.19 103.24 1n1b n GLY 550 Ca 0.02 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1n1b n GLY 550 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n1b s TYR 551 N -2.63 -0.45 -0.35 1.61 -0.85 -1.26 -4.89 117.35 108.53 1n1b s TYR 551 Ca 0.00 0.56 -0.00 0.00 -0.52 0.00 0.00 57.07 57.11 1n1b s TYR 551 Cb 0.00 0.34 0.30 0.00 0.38 0.00 0.00 41.96 42.99 1n1b s TYR 551 CO 0.00 -0.63 1.87 -0.35 -1.52 0.00 0.00 175.55 174.92 1n1b n PRO 552 N 0.51 1.90 -4.37 -3.49 -0.04 -1.26 -4.92 135.00 123.33 1n1b n PRO 552 Ca -0.19 -1.85 -0.20 0.00 -0.04 0.00 0.00 63.50 61.23 1n1b n PRO 552 Cb 0.60 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1n1b n PRO 552 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n1b s PHE 553 N -2.12 1.81 0.38 0.54 2.99 -1.26 -4.79 117.98 115.53 1n1b s PHE 553 Ca 0.36 -0.57 -0.28 0.00 0.00 0.00 0.00 56.93 56.44 1n1b s PHE 553 Cb 0.29 -0.87 -0.11 0.00 0.00 0.00 0.00 43.02 42.33 1n1b s PHE 553 CO 0.02 0.38 1.49 -2.30 -0.00 0.00 0.00 175.22 174.81 1n1b n PRO 554 N -0.44 2.67 -0.03 0.24 -0.02 -1.26 -4.88 135.00 131.29 1n1b n PRO 554 Ca -0.07 0.94 0.03 0.00 -2.02 0.00 0.00 63.50 62.38 1n1b n PRO 554 Cb 0.61 -2.68 0.40 0.00 -0.02 0.00 0.00 33.50 31.81 1n1b n PRO 554 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n1b h ASP 555 N 2.92 0.52 0.06 2.55 3.32 -1.98 -1.83 116.42 121.98 1n1b h ASP 555 Ca -0.51 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1n1b h ASP 555 Cb 1.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1n1b h ASP 555 CO 0.64 0.38 -0.10 1.23 -1.72 0.00 0.00 179.24 179.67 1n1b h GLY 556 N 0.61 0.12 0.69 2.75 0.00 -1.99 -0.64 103.07 104.62 1n1b h GLY 556 Ca 0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1n1b h GLY 556 CO -0.04 0.06 -0.45 1.98 0.00 0.00 0.00 176.54 178.10 1n1b h MET 557 N 0.11 0.35 -0.38 4.80 1.85 -1.71 -2.83 114.93 117.12 1n1b h MET 557 Ca 0.02 -0.34 -0.03 0.00 -0.61 0.00 0.00 59.70 58.75 1n1b h MET 557 Cb 0.25 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.35 1n1b h MET 557 CO 0.01 1.01 0.12 0.28 -0.40 0.00 0.00 176.91 177.94 1n1b h VAL 558 N -0.19 1.16 -0.73 -5.77 2.07 -1.24 -0.11 116.25 111.44 1n1b h VAL 558 Ca -0.05 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1n1b h VAL 558 Cb 1.15 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1n1b h VAL 558 CO 0.09 0.20 0.26 0.00 0.02 0.00 0.00 177.57 178.13 1n1b h ALA 559 N 1.61 1.08 -0.44 1.67 0.00 -1.12 -0.15 119.26 121.90 1n1b h ALA 559 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1n1b h ALA 559 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1n1b h ALA 559 CO -0.01 0.64 -0.21 0.78 0.00 0.00 0.00 179.25 180.45 1n1b h GLY 560 N 1.11 0.96 1.01 0.00 0.00 -0.99 -1.71 103.07 103.44 1n1b h GLY 560 Ca 0.24 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1n1b h GLY 560 CO -0.01 0.75 0.26 0.00 0.00 0.00 0.00 176.54 177.53 1n1b h ALA 561 N 0.99 0.84 -0.39 3.60 0.00 -0.40 -1.64 119.26 122.26 1n1b h ALA 561 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1n1b h ALA 561 Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1n1b h ALA 561 CO 0.06 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.69 1n1b h ALA 562 N 1.11 0.54 -0.10 0.00 0.00 -0.93 -3.24 119.26 116.62 1n1b h ALA 562 Ca 0.22 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1n1b h ALA 562 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n1b h ALA 562 CO -0.02 0.39 -0.36 -0.91 0.00 0.00 0.00 179.25 178.35 1n1b h ASN 563 N 0.55 0.20 -0.98 0.00 4.21 -1.09 -3.25 115.58 115.23 1n1b h ASN 563 Ca 0.10 -0.08 0.09 0.00 1.21 0.00 0.00 56.30 57.63 1n1b h ASN 563 Cb 0.59 -0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 37.66 1n1b h ASN 563 CO 0.04 0.55 0.62 -0.29 -1.29 0.00 0.00 177.43 177.06 1n1b h ILE 564 N 0.17 0.99 -0.49 2.81 2.10 -1.33 0.06 117.51 121.83 1n1b h ILE 564 Ca 0.02 -0.36 -0.10 0.00 1.08 0.00 0.00 64.86 65.50 1n1b h ILE 564 Cb 0.72 -0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 36.28 1n1b h ILE 564 CO 0.05 0.19 -0.08 1.23 -1.08 0.00 0.00 178.15 178.46 1n1b h GLY 565 N 1.05 0.96 1.27 8.18 0.00 -1.72 -2.83 103.07 109.98 1n1b h GLY 565 Ca 0.45 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1n1b h GLY 565 CO -0.22 0.67 0.42 3.21 0.00 0.00 0.00 176.54 180.62 1n1b h ARG 566 N 0.80 0.97 -0.65 4.80 3.08 -1.11 -1.64 114.38 120.63 1n1b h ARG 566 Ca 0.14 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1n1b h ARG 566 Cb 0.60 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1n1b h ARG 566 CO 0.04 0.68 0.37 0.28 -1.07 0.00 0.00 179.97 180.27 1n1b h VAL 567 N 0.98 1.20 -0.65 2.04 2.07 -1.02 -1.66 116.25 119.22 1n1b h VAL 567 Ca 0.26 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1n1b h VAL 567 Cb -0.03 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1n1b h VAL 567 CO -0.05 0.22 0.36 0.00 0.02 0.00 0.00 177.57 178.12 1n1b h ALA 568 N 1.18 0.83 -0.63 1.67 0.00 -1.28 -0.59 119.26 120.43 1n1b h ALA 568 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1n1b h ALA 568 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1n1b h ALA 568 CO -0.04 0.33 0.42 1.96 0.00 0.00 0.00 179.25 181.92 1n1b h GLN 569 N 0.88 0.79 0.05 0.00 4.20 -0.78 0.36 115.11 120.61 1n1b h GLN 569 Ca 0.23 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1n1b h GLN 569 Cb 0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1n1b h GLN 569 CO -0.04 0.52 -0.03 0.35 -0.67 0.00 0.00 178.83 178.97 1n1b h PHE 570 N 0.81 -0.07 -0.50 2.96 3.57 -0.77 -2.75 116.94 120.19 1n1b h PHE 570 Ca 0.24 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1n1b h PHE 570 Cb -0.04 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1n1b h PHE 570 CO -0.00 0.51 0.18 0.82 -2.23 0.00 0.00 178.31 177.60 1n1b h ILE 571 N -0.73 1.22 -0.55 1.41 2.04 -0.96 -3.02 117.51 116.92 1n1b h ILE 571 Ca -0.01 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1n1b h ILE 571 Cb 0.61 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1n1b h ILE 571 CO 0.01 0.26 0.13 -1.22 0.00 0.00 0.00 178.15 177.33 1n1b n TYR 572 N -4.53 1.89 -0.12 1.37 4.02 0.10 -3.20 117.16 116.69 1n1b n TYR 572 Ca 0.02 -0.83 -0.06 0.00 -0.01 0.00 0.00 57.90 57.02 1n1b n TYR 572 Cb 0.17 -0.53 0.03 0.00 -0.02 0.00 0.00 39.34 38.99 1n1b n TYR 572 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1n1b h LEU 573 N 2.73 0.18 -5.55 7.72 5.85 -1.35 -3.22 115.31 121.68 1n1b h LEU 573 Ca 0.12 0.04 -0.56 0.00 0.84 0.00 0.00 57.88 58.32 1n1b h LEU 573 Cb 1.90 0.02 -0.41 0.00 0.37 0.00 0.00 40.66 42.53 1n1b h LEU 573 CO 0.52 0.14 -0.78 1.41 -0.34 0.00 0.00 178.44 179.39 1n1b n HIS 574 N -4.99 2.99 -1.63 1.25 8.25 -1.26 -5.08 115.22 114.74 1n1b n HIS 574 Ca 0.02 -3.96 0.00 0.00 -0.26 0.00 0.00 57.72 53.53 1n1b n HIS 574 Cb 0.14 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1n1b n HIS 574 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n1b n GLY 575 N 0.00 -1.82 3.61 -1.41 0.00 -1.22 -4.82 105.19 99.53 1n1b n GLY 575 Ca 0.29 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1n1b n GLY 575 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n1b s ASP 576 N -4.00 6.30 0.36 1.61 -1.08 -1.13 -4.06 116.67 114.67 1n1b s ASP 576 Ca 0.00 1.07 0.27 0.00 -0.52 0.00 0.00 52.55 53.37 1n1b s ASP 576 Cb 0.00 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.96 1n1b s ASP 576 CO 0.00 -1.42 1.80 1.23 0.52 0.00 0.00 175.17 177.30 1n1b h GLY 577 N 12.24 0.00 -7.73 2.66 0.00 -1.87 -3.50 103.07 104.88 1n1b h GLY 577 Ca -0.29 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.28 1n1b h GLY 577 CO 1.06 0.00 -0.03 -1.36 0.00 0.00 0.00 176.54 176.21 1n1b s PHE 578 N -3.39 3.68 0.00 5.60 2.99 -1.26 -4.56 117.98 121.04 1n1b s PHE 578 Ca 0.04 -2.26 0.00 0.00 0.00 0.00 0.00 56.93 54.71 1n1b s PHE 578 Cb 0.09 -3.62 0.00 0.00 0.00 0.00 0.00 43.02 39.49 1n1b s PHE 578 CO 0.49 -0.94 0.00 -1.13 -0.00 0.00 0.00 175.22 173.64 1n1b n SER 583 N 3.72 0.00 -0.07 1.36 3.41 -1.26 -5.16 113.62 115.62 1n1b n SER 583 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.75 1n1b n SER 583 Cb 0.44 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.69 1n1b n SER 583 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1n1b h LYS 584 N 0.00 0.69 -0.46 4.33 1.57 -2.00 -2.73 116.57 117.97 1n1b h LYS 584 Ca 0.00 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1n1b h LYS 584 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1n1b h LYS 584 CO 0.00 0.55 0.29 1.15 -0.57 0.00 0.00 179.45 180.88 1n1b h THR 585 N 0.69 1.09 -0.12 -0.16 2.02 -1.98 0.10 112.91 114.55 1n1b h THR 585 Ca 0.17 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1n1b h THR 585 Cb 0.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1n1b h THR 585 CO -0.02 0.11 -0.32 1.88 0.37 0.00 0.00 175.52 177.54 1n1b h TYR 586 N 0.60 0.25 -0.54 3.16 -1.99 -1.76 -0.72 116.97 115.97 1n1b h TYR 586 Ca 0.18 -0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.77 1n1b h TYR 586 Cb -0.04 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 1n1b h TYR 586 CO -0.05 0.53 0.02 0.93 -0.00 0.00 0.00 178.16 179.58 1n1b h GLU 587 N 0.20 0.95 -0.29 4.88 5.08 -1.13 -1.32 114.58 122.94 1n1b h GLU 587 Ca 0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1n1b h GLU 587 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1n1b h GLU 587 CO 0.05 0.95 0.16 1.25 -1.00 0.00 0.00 179.01 180.42 1n1b h HIS 588 N 0.83 0.40 -0.59 4.33 2.76 -0.42 -1.11 115.15 121.35 1n1b h HIS 588 Ca 0.16 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1n1b h HIS 588 Cb 0.51 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1n1b h HIS 588 CO 0.04 0.32 0.30 0.82 -1.30 0.00 0.00 177.93 178.11 1n1b h ILE 589 N 0.36 1.20 -0.67 6.26 2.04 -0.98 -2.17 117.51 123.55 1n1b h ILE 589 Ca 0.10 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1n1b h ILE 589 Cb 0.06 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1n1b h ILE 589 CO -0.02 0.23 0.23 0.00 0.00 0.00 0.00 178.15 178.60 1n1b h ALA 590 N 1.13 1.14 0.00 1.87 0.00 -1.03 -0.27 119.26 122.10 1n1b h ALA 590 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n1b h ALA 590 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n1b h ALA 590 CO -0.03 0.60 -0.22 0.78 0.00 0.00 0.00 179.25 180.38 1n1b h GLY 591 N 1.06 0.00 0.79 0.00 0.00 -0.82 0.88 103.07 104.99 1n1b h GLY 591 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.20 1n1b h GLY 591 CO -0.01 0.00 -1.86 -2.00 0.00 0.00 0.00 176.54 172.67 1n1b h LEU 592 N 0.00 0.44 0.00 3.11 5.85 -0.79 -3.38 115.31 120.55 1n1b h LEU 592 Ca -0.00 -0.84 -0.34 0.00 0.84 0.00 0.00 57.88 57.54 1n1b h LEU 592 Cb 0.55 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1n1b h LEU 592 CO 0.03 1.73 -2.28 0.18 -0.34 0.00 0.00 178.44 177.76 1n1b n LEU 593 N -3.48 0.73 -0.00 2.25 4.77 -0.17 -4.76 117.00 116.34 1n1b n LEU 593 Ca -0.27 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 55.73 1n1b n LEU 593 Cb 1.06 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 42.22 1n1b n LEU 593 CO 0.46 0.56 -0.27 0.49 -1.33 0.00 0.00 177.39 177.30 1n1b n PHE 594 N -2.80 0.00 -3.86 -1.77 0.99 0.20 -4.79 117.46 105.43 1n1b n PHE 594 Ca -0.33 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.76 1n1b n PHE 594 Cb 1.06 -0.10 -0.13 0.00 -1.00 0.00 0.00 39.48 39.30 1n1b n PHE 594 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n1b s GLU 595 N -2.29 3.14 0.77 -1.08 2.02 -0.59 -5.01 118.70 115.65 1n1b s GLU 595 Ca 0.01 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 1n1b s GLU 595 Cb 0.07 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 31.21 1n1b s GLU 595 CO 0.43 -0.34 1.17 -2.14 0.02 0.00 0.00 175.26 174.40 1n1b s PRO 596 N 1.45 1.96 -0.63 0.39 0.02 -1.26 -4.71 135.00 132.22 1n1b s PRO 596 Ca 0.03 1.63 -0.25 0.00 0.02 0.00 0.00 61.00 62.43 1n1b s PRO 596 Cb -0.16 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.58 1n1b s PRO 596 CO -0.01 -1.94 1.05 -0.47 -0.33 0.00 0.00 177.00 175.29 1n1b s TYR 597 N -2.25 2.62 -2.00 6.54 5.04 -1.26 -5.12 117.35 120.93 1n1b s TYR 597 Ca 0.71 -0.17 0.07 0.00 -2.44 0.00 0.00 57.07 55.23 1n1b s TYR 597 Cb -0.26 -4.31 0.40 0.00 0.35 0.00 0.00 41.96 38.14 1n1b s TYR 597 CO 0.49 -1.64 0.86 0.00 -1.34 0.00 0.00 175.55 173.93