#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1b s TRP 65 N 0.00 3.59 0.45 1.96 0.51 -1.26 -4.89 118.94 119.30 1n1b s TRP 65 Ca 0.00 -1.95 0.05 0.00 -2.12 0.00 0.00 56.10 52.08 1n1b s TRP 65 Cb 0.00 -4.08 0.08 0.00 -0.81 0.00 0.00 33.47 28.66 1n1b s TRP 65 CO 0.00 -1.23 0.63 -0.40 -0.51 0.00 0.00 176.95 175.43 1n1b n ASP 66 N 4.95 1.35 -0.36 2.95 5.75 -1.26 -4.88 116.55 125.05 1n1b n ASP 66 Ca 0.24 -2.02 0.07 0.00 -0.01 0.00 0.00 54.79 53.07 1n1b n ASP 66 Cb 0.45 -0.36 0.23 0.00 -1.03 0.00 0.00 41.12 40.42 1n1b n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1n1b h SER 67 N -0.09 0.91 -0.37 -1.12 4.64 -1.95 -1.70 113.55 113.88 1n1b h SER 67 Ca -0.21 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1n1b h SER 67 Cb 0.90 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1n1b h SER 67 CO 0.27 0.49 0.21 0.78 -0.87 0.00 0.00 176.83 177.72 1n1b h ASN 68 N 0.99 0.46 -0.06 4.97 4.21 -1.98 0.38 115.58 124.55 1n1b h ASN 68 Ca 0.49 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 1n1b h ASN 68 Cb 0.47 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1n1b h ASN 68 CO -0.26 0.39 0.03 0.22 -1.29 0.00 0.00 177.43 176.52 1n1b h TYR 69 N 0.48 0.08 -0.88 1.19 3.20 -1.76 -1.20 116.97 118.08 1n1b h TYR 69 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1n1b h TYR 69 Cb 0.03 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1n1b h TYR 69 CO -0.03 0.18 0.57 0.82 -1.64 0.00 0.00 178.16 178.06 1n1b h ILE 70 N -0.04 1.16 0.00 1.81 2.04 -1.16 -1.62 117.51 119.70 1n1b h ILE 70 Ca 0.02 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1n1b h ILE 70 Cb 0.13 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1n1b h ILE 70 CO -0.00 0.21 -0.38 1.56 0.00 0.00 0.00 178.15 179.54 1n1b h GLN 71 N 1.12 0.00 -0.00 2.37 4.20 -0.76 -2.91 115.11 119.13 1n1b h GLN 71 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1n1b h GLN 71 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1n1b h GLN 71 CO -0.11 0.38 -0.09 -1.13 -0.67 0.00 0.00 178.83 177.21 1n1b n SER 72 N -3.77 0.10 -4.65 1.46 3.41 -0.47 -4.90 113.62 104.81 1n1b n SER 72 Ca -0.01 0.33 -0.46 0.00 -0.26 0.00 0.00 58.87 58.47 1n1b n SER 72 Cb 0.46 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1n1b n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n1b n LEU 73 N -1.49 2.69 -3.73 1.04 4.77 -0.98 -4.99 117.00 114.32 1n1b n LEU 73 Ca 0.07 1.13 -0.15 0.00 -0.03 0.00 0.00 56.01 57.04 1n1b n LEU 73 Cb 0.34 -1.37 -0.15 0.00 -2.33 0.00 0.00 43.42 39.91 1n1b n LEU 73 CO 0.28 -0.65 -0.24 0.21 -1.33 0.00 0.00 177.39 175.67 1n1b s ASN 74 N 0.36 0.13 -0.02 -1.43 2.47 -1.26 -5.10 114.94 110.09 1n1b s ASN 74 Ca 0.72 0.30 -0.02 0.00 0.42 0.00 0.00 52.86 54.27 1n1b s ASN 74 Cb -0.72 0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.28 1n1b s ASN 74 CO 0.48 -0.17 0.06 0.28 -3.72 0.00 0.00 177.10 174.02 1n1b s THR 75 N 1.47 0.01 -2.02 -5.21 -1.32 -1.26 -5.05 115.64 102.26 1n1b s THR 75 Ca -0.06 -0.11 0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1n1b s THR 75 Cb -0.12 -0.13 0.26 0.00 -1.51 0.00 0.00 72.50 71.01 1n1b s THR 75 CO -0.06 -0.06 1.24 -0.81 -2.21 0.00 0.00 174.62 172.72 1n1b n PRO 76 N 2.85 1.61 -0.99 7.08 -0.04 -1.26 -4.52 135.00 139.73 1n1b n PRO 76 Ca -0.14 -0.94 -0.18 0.00 -0.04 0.00 0.00 63.50 62.21 1n1b n PRO 76 Cb 0.59 -1.22 0.02 0.00 -0.04 0.00 0.00 33.50 32.84 1n1b n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n1b n TYR 77 N 0.25 1.48 -0.07 0.54 4.02 -1.26 -3.41 117.16 118.71 1n1b n TYR 77 Ca 0.10 -1.93 0.00 0.00 -0.01 0.00 0.00 57.90 56.05 1n1b n TYR 77 Cb 0.23 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.52 1n1b n TYR 77 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1n1b n THR 78 N 0.51 0.00 -2.15 -0.72 5.66 -1.26 -4.55 114.28 111.77 1n1b n THR 78 Ca 0.33 -0.44 -0.33 0.00 -3.05 0.00 0.00 64.05 60.55 1n1b n THR 78 Cb 0.58 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 1n1b n THR 78 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1n1b s GLU 79 N -0.38 3.38 0.23 1.09 2.02 -1.22 -4.98 118.70 118.85 1n1b s GLU 79 Ca 0.00 1.31 -0.07 0.00 0.02 0.00 0.00 54.97 56.23 1n1b s GLU 79 Cb 0.00 -2.03 0.22 0.00 0.10 0.00 0.00 34.13 32.41 1n1b s GLU 79 CO 0.00 -0.78 1.86 0.93 0.02 0.00 0.00 175.26 177.29 1n1b h GLU 80 N 0.74 1.25 -0.75 1.61 5.08 -1.97 -2.77 114.58 117.77 1n1b h GLU 80 Ca -0.48 -0.15 0.15 0.00 -1.00 0.00 0.00 59.36 57.88 1n1b h GLU 80 Cb 1.23 -0.24 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 1n1b h GLU 80 CO 0.57 0.92 0.26 -0.09 -1.00 0.00 0.00 179.01 179.67 1n1b h ARG 81 N 1.25 0.36 -0.63 2.33 2.43 -1.98 0.38 114.38 118.53 1n1b h ARG 81 Ca 0.31 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1n1b h ARG 81 Cb 0.04 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1n1b h ARG 81 CO -0.05 0.24 0.05 0.45 -1.51 0.00 0.00 179.97 179.15 1n1b h HIS 82 N 0.38 1.16 -0.32 2.20 3.86 -1.87 -2.21 115.15 118.34 1n1b h HIS 82 Ca 0.42 -0.18 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1n1b h HIS 82 Cb 0.68 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1n1b h HIS 82 CO -0.20 1.00 -0.28 -0.07 0.86 0.00 0.00 177.93 179.24 1n1b h LEU 83 N 0.99 0.69 0.11 2.43 3.38 -0.87 -1.60 115.31 120.44 1n1b h LEU 83 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1n1b h LEU 83 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1n1b h LEU 83 CO 0.02 0.94 -0.05 0.44 0.09 0.00 0.00 178.44 179.88 1n1b h ASP 84 N 0.58 -0.12 -0.61 -0.43 3.32 -0.13 -2.18 116.42 116.84 1n1b h ASP 84 Ca 0.07 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1n1b h ASP 84 Cb 0.78 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1n1b h ASP 84 CO 0.06 0.06 0.40 -0.09 -1.72 0.00 0.00 179.24 177.96 1n1b h ARG 85 N -0.30 0.76 -0.54 3.56 9.65 -1.35 -1.77 114.38 124.39 1n1b h ARG 85 Ca -0.01 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1n1b h ARG 85 Cb 0.25 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1n1b h ARG 85 CO 0.02 0.50 0.35 -0.22 2.80 0.00 0.00 179.97 183.43 1n1b h LYS 86 N 0.78 0.69 -0.69 0.20 3.64 -0.97 0.12 116.57 120.35 1n1b h LYS 86 Ca 0.23 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1n1b h LYS 86 Cb -0.02 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1n1b h LYS 86 CO -0.06 0.46 0.16 0.00 -2.27 0.00 0.00 179.45 177.74 1n1b h ALA 87 N 1.21 0.91 -0.28 5.00 0.00 -0.72 -1.77 119.26 123.61 1n1b h ALA 87 Ca 0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1n1b h ALA 87 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1n1b h ALA 87 CO -0.06 0.64 -0.37 1.49 0.00 0.00 0.00 179.25 180.95 1n1b h GLU 88 N 1.04 0.64 -0.51 0.00 4.57 -0.96 -2.32 114.58 117.03 1n1b h GLU 88 Ca 0.22 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1n1b h GLU 88 Cb 0.38 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1n1b h GLU 88 CO 0.00 0.90 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.59 1n1b h LEU 89 N 0.53 0.95 -1.29 1.64 3.38 -0.78 -0.79 115.31 118.94 1n1b h LEU 89 Ca 0.05 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1n1b h LEU 89 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1n1b h LEU 89 CO 0.08 1.07 0.28 0.40 0.09 0.00 0.00 178.44 180.35 1n1b h ILE 90 N 0.82 1.18 -0.08 1.22 2.04 -1.20 0.28 117.51 121.76 1n1b h ILE 90 Ca 0.14 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1n1b h ILE 90 Cb 0.63 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1n1b h ILE 90 CO 0.04 0.20 0.02 0.58 0.00 0.00 0.00 178.15 179.00 1n1b h VAL 91 N 0.77 1.19 -0.32 1.67 2.07 -0.93 -0.79 116.25 119.91 1n1b h VAL 91 Ca 0.19 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1n1b h VAL 91 Cb 0.06 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1n1b h VAL 91 CO -0.03 0.16 -0.06 1.56 0.02 0.00 0.00 177.57 179.23 1n1b h GLN 92 N -0.07 0.51 0.00 1.57 1.08 -0.48 -2.86 115.11 114.86 1n1b h GLN 92 Ca 0.03 -0.12 -0.19 0.00 -1.45 0.00 0.00 58.65 56.91 1n1b h GLN 92 Cb 0.24 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1n1b h GLN 92 CO 0.00 0.58 -0.86 0.28 -0.95 0.00 0.00 178.83 177.88 1n1b h VAL 93 N 0.48 1.53 -0.70 -0.54 2.07 -0.33 -3.03 116.25 115.73 1n1b h VAL 93 Ca 0.10 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.89 1n1b h VAL 93 Cb 0.40 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1n1b h VAL 93 CO 0.02 0.78 0.26 -0.09 0.02 0.00 0.00 177.57 178.56 1n1b h ARG 94 N 0.07 1.04 -0.49 1.57 2.43 -0.94 -1.19 114.38 116.86 1n1b h ARG 94 Ca -0.03 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1n1b h ARG 94 Cb 1.48 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1n1b h ARG 94 CO 0.12 0.86 0.26 0.82 -1.51 0.00 0.00 179.97 180.52 1n1b h ILE 95 N 1.02 0.98 -0.66 1.20 2.04 -1.42 -1.93 117.51 118.73 1n1b h ILE 95 Ca 0.23 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1n1b h ILE 95 Cb 0.22 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1n1b h ILE 95 CO -0.02 0.09 0.43 -0.07 0.00 0.00 0.00 178.15 178.59 1n1b h LEU 96 N 0.51 0.75 -1.85 1.44 3.38 -1.25 -2.39 115.31 115.88 1n1b h LEU 96 Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1n1b h LEU 96 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1n1b h LEU 96 CO -0.14 0.54 -0.14 0.25 0.09 0.00 0.00 178.44 179.04 1n1b h LEU 97 N 0.88 0.00 -1.77 1.67 5.85 -0.58 -2.95 115.31 118.41 1n1b h LEU 97 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1n1b h LEU 97 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1n1b h LEU 97 CO -0.06 0.14 0.00 0.29 -0.34 0.00 0.00 178.44 178.47 1n1b n LYS 98 N -3.91 2.20 -2.32 1.25 5.02 -0.79 -4.98 118.16 114.63 1n1b n LYS 98 Ca -0.02 -1.76 -0.36 0.00 -2.02 0.00 0.00 58.31 54.15 1n1b n LYS 98 Cb 0.23 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1n1b n LYS 98 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n1b s GLU 99 N -1.89 3.74 0.20 1.97 2.02 -1.09 -4.93 118.70 118.72 1n1b s GLU 99 Ca 0.32 1.68 -0.32 0.00 0.02 0.00 0.00 54.97 56.66 1n1b s GLU 99 Cb 0.21 -2.32 -0.14 0.00 0.10 0.00 0.00 34.13 31.97 1n1b s GLU 99 CO 0.31 -0.55 1.37 1.63 0.02 0.00 0.00 175.26 178.04 1n1b n LYS 100 N -0.63 1.79 -3.52 1.61 4.76 -1.26 -4.93 118.16 115.97 1n1b n LYS 100 Ca 0.08 0.64 -0.15 0.00 -2.87 0.00 0.00 58.31 56.00 1n1b n LYS 100 Cb 0.49 -2.27 -0.05 0.00 -1.84 0.00 0.00 35.03 31.36 1n1b n LYS 100 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1n1b s MET 101 N -0.14 0.96 0.39 1.97 1.75 -1.26 -5.15 119.30 117.81 1n1b s MET 101 Ca 0.72 0.15 -0.26 0.00 -1.25 0.00 0.00 55.69 55.05 1n1b s MET 101 Cb -0.72 0.45 -0.09 0.00 2.84 0.00 0.00 34.83 37.31 1n1b s MET 101 CO 0.48 -0.32 1.18 -1.21 -0.65 0.00 0.00 175.02 174.50 1n1b s GLU 102 N -1.46 4.12 0.23 4.11 0.41 -1.26 -4.84 118.70 120.00 1n1b s GLU 102 Ca -0.07 1.86 -0.15 0.00 -0.41 0.00 0.00 54.97 56.20 1n1b s GLU 102 Cb -0.00 -2.74 0.27 0.00 -1.78 0.00 0.00 34.13 29.88 1n1b s GLU 102 CO 0.05 -0.27 1.57 -1.35 -0.49 0.00 0.00 175.26 174.77 1n1b h PRO 103 N 2.77 -0.04 -0.56 0.39 0.11 -2.01 0.13 132.00 132.79 1n1b h PRO 103 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1n1b h PRO 103 Cb 1.23 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1n1b h PRO 103 CO 0.63 -0.03 0.37 -0.24 -0.21 0.00 0.00 178.00 178.53 1n1b h VAL 104 N -0.04 1.05 -0.22 3.15 3.04 -1.97 -0.72 116.25 120.53 1n1b h VAL 104 Ca 0.35 -0.21 -0.12 0.00 -1.01 0.00 0.00 66.70 65.70 1n1b h VAL 104 Cb 0.60 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 1n1b h VAL 104 CO -0.87 0.11 -0.39 1.56 -1.01 0.00 0.00 177.57 176.97 1n1b h GLN 105 N 0.62 0.50 -0.47 4.17 4.20 -1.13 -1.95 115.11 121.04 1n1b h GLN 105 Ca 0.23 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1n1b h GLN 105 Cb 0.14 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1n1b h GLN 105 CO -0.06 0.81 -0.05 1.96 -0.67 0.00 0.00 178.83 180.81 1n1b h GLN 106 N 0.41 0.87 -0.62 1.46 4.20 -0.33 -1.69 115.11 119.42 1n1b h GLN 106 Ca 0.04 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1n1b h GLN 106 Cb 0.86 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1n1b h GLN 106 CO 0.07 0.94 0.26 -0.07 -0.67 0.00 0.00 178.83 179.36 1n1b h LEU 107 N 0.72 0.84 -0.64 1.46 3.38 -1.11 -0.47 115.31 119.50 1n1b h LEU 107 Ca 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1n1b h LEU 107 Cb 0.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1n1b h LEU 107 CO 0.03 0.77 0.15 -0.33 0.09 0.00 0.00 178.44 179.15 1n1b h GLU 108 N 0.85 1.03 -0.45 1.13 5.08 -1.23 0.04 114.58 121.03 1n1b h GLU 108 Ca 0.21 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1n1b h GLU 108 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1n1b h GLU 108 CO -0.02 0.93 0.10 1.25 -1.00 0.00 0.00 179.01 180.27 1n1b h LEU 109 N 0.94 0.68 -0.80 1.33 5.85 -1.05 0.05 115.31 122.32 1n1b h LEU 109 Ca 0.20 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1n1b h LEU 109 Cb 0.37 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1n1b h LEU 109 CO 0.00 0.74 0.45 0.40 -0.34 0.00 0.00 178.44 179.69 1n1b h ILE 110 N 0.59 1.24 -0.71 4.05 2.04 -0.83 -0.49 117.51 123.40 1n1b h ILE 110 Ca 0.14 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1n1b h ILE 110 Cb 0.33 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1n1b h ILE 110 CO 0.00 0.26 0.18 -0.74 0.00 0.00 0.00 178.15 177.85 1n1b h HIS 111 N 1.11 1.20 -0.13 1.37 2.76 -0.71 -1.53 115.15 119.22 1n1b h HIS 111 Ca 0.28 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1n1b h HIS 111 Cb 0.02 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1n1b h HIS 111 CO 0.00 0.97 0.07 -0.44 -1.30 0.00 0.00 177.93 177.23 1n1b h ASP 112 N 1.08 0.16 -0.69 3.26 3.32 -0.30 -2.41 116.42 120.84 1n1b h ASP 112 Ca 0.22 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1n1b h ASP 112 Cb 0.37 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1n1b h ASP 112 CO 0.00 0.19 0.44 -0.07 -1.72 0.00 0.00 179.24 178.09 1n1b h LEU 113 N 0.11 0.75 0.36 1.55 3.38 -0.92 -2.46 115.31 118.08 1n1b h LEU 113 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1n1b h LEU 113 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1n1b h LEU 113 CO -0.01 0.53 -0.27 0.50 0.09 0.00 0.00 178.44 179.28 1n1b h LYS 114 N 0.89 -0.60 0.00 1.13 3.64 -1.04 0.97 116.57 121.55 1n1b h LYS 114 Ca 0.27 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1n1b h LYS 114 Cb -0.04 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1n1b h LYS 114 CO -0.08 -0.40 0.00 0.66 -2.27 0.00 0.00 179.45 177.36 1n1b n TYR 115 N -5.39 0.00 0.77 1.91 4.02 -0.93 -1.69 117.16 115.84 1n1b n TYR 115 Ca -0.10 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.88 1n1b n TYR 115 Cb 0.30 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.69 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 -0.83 2.47 -0.54 7.72 4.77 -0.93 -4.71 117.00 124.93 1n1b n LEU 116 Ca 0.15 -0.98 -0.06 0.00 -0.03 0.00 0.00 56.01 55.09 1n1b n LEU 116 Cb 0.07 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1n1b n LEU 116 CO 0.11 0.43 -0.06 0.61 -1.33 0.00 0.00 177.39 177.15 1n1b n GLY 117 N 1.05 0.44 0.02 -0.72 0.00 -0.68 -4.83 105.19 100.46 1n1b n GLY 117 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.73 0.52 0.15 0.99 4.77 0.30 -4.67 117.00 118.33 1n1b n LEU 118 Ca -0.06 -0.53 0.17 0.00 -0.03 0.00 0.00 56.01 55.56 1n1b n LEU 118 Cb 0.39 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.23 1n1b n LEU 118 CO 0.08 0.12 1.15 0.77 -1.33 0.00 0.00 177.39 178.18 1n1b h SER 119 N 0.11 0.00 0.77 -1.43 4.64 -1.75 -0.78 113.55 115.11 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1n1b h SER 119 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1n1b n ASP 120 N -4.10 0.72 0.09 4.97 8.00 -1.26 -2.08 116.55 122.89 1n1b n ASP 120 Ca 0.03 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.33 1n1b n ASP 120 Cb 0.37 -0.83 0.30 0.00 -0.02 0.00 0.00 41.12 40.95 1n1b n ASP 120 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1n1b h PHE 121 N 0.00 0.00 -0.79 1.24 0.05 -1.48 -3.35 116.94 112.60 1n1b h PHE 121 Ca 0.00 0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.39 1n1b h PHE 121 Cb 0.38 0.00 -0.41 0.00 2.00 0.00 0.00 35.95 37.92 1n1b h PHE 121 CO 0.00 0.00 -1.00 1.19 -0.18 0.00 0.00 178.31 178.32 1n1b n PHE 122 N -2.25 1.93 -0.02 -0.55 3.01 -0.88 -4.92 117.46 113.79 1n1b n PHE 122 Ca 0.05 -2.44 -0.09 0.00 1.01 0.00 0.00 57.45 55.97 1n1b n PHE 122 Cb 0.44 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 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 2.58 -0.07 -0.14 -1.08 1.08 -1.69 -1.85 115.11 113.93 1n1b h GLN 123 Ca 0.06 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1n1b h GLN 123 Cb 1.27 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 1n1b h GLN 123 CO 0.50 -0.05 0.08 -0.44 -0.95 0.00 0.00 178.83 177.97 1n1b h ASP 124 N -0.07 0.17 -0.92 1.46 3.32 -1.92 -1.88 116.42 116.58 1n1b h ASP 124 Ca 0.09 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1n1b h ASP 124 Cb 0.21 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1n1b h ASP 124 CO -0.21 0.19 0.60 -0.33 -1.72 0.00 0.00 179.24 177.77 1n1b h GLU 125 N 0.14 1.16 -0.45 3.56 3.07 -1.93 -1.63 114.58 118.50 1n1b h GLU 125 Ca 0.05 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 1n1b h GLU 125 Cb 0.05 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1n1b h GLU 125 CO -0.01 0.77 -0.23 0.82 -1.40 0.00 0.00 179.01 178.96 1n1b h ILE 126 N 1.20 1.27 -0.51 3.13 2.04 -1.19 -1.76 117.51 121.69 1n1b h ILE 126 Ca 0.35 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1n1b h ILE 126 Cb -0.07 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1n1b h ILE 126 CO -0.10 0.48 0.05 0.11 0.00 0.00 0.00 178.15 178.69 1n1b h LYS 127 N 0.81 0.87 0.36 2.37 1.57 -1.03 -1.31 116.57 120.21 1n1b h LYS 127 Ca 0.10 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1n1b h LYS 127 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1n1b h LYS 127 CO 0.07 0.87 -0.17 1.49 -0.57 0.00 0.00 179.45 181.14 1n1b h GLU 128 N 0.74 -0.47 -0.59 3.15 4.81 -1.21 -1.34 114.58 119.67 1n1b h GLU 128 Ca 0.15 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1n1b h GLU 128 Cb 0.45 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 1n1b h GLU 128 CO 0.02 -0.27 0.23 0.82 -0.73 0.00 0.00 179.01 179.08 1n1b h ILE 129 N -0.55 0.80 -0.19 2.32 2.04 -1.25 -1.67 117.51 119.01 1n1b h ILE 129 Ca -0.05 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1n1b h ILE 129 Cb 0.41 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1n1b h ILE 129 CO 0.08 0.08 -0.21 -0.07 0.00 0.00 0.00 178.15 178.02 1n1b h LEU 130 N 0.42 0.32 -0.24 1.44 3.38 -1.13 -1.57 115.31 117.93 1n1b h LEU 130 Ca 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1n1b h LEU 130 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n1b h LEU 130 CO -0.28 0.55 0.11 1.23 0.09 0.00 0.00 178.44 180.14 1n1b h GLY 131 N 0.94 0.37 0.99 0.83 0.00 -0.34 -0.94 103.07 104.92 1n1b h GLY 131 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1n1b h GLY 131 CO 0.04 0.18 -0.02 -2.08 0.00 0.00 0.00 176.54 174.65 1n1b h VAL 132 N 0.25 0.97 -0.63 4.60 2.07 -1.13 -1.09 116.25 121.29 1n1b h VAL 132 Ca 0.08 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1n1b h VAL 132 Cb 0.13 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1n1b h VAL 132 CO -0.01 0.01 0.42 0.40 0.02 0.00 0.00 177.57 178.40 1n1b h ILE 133 N -0.07 0.96 0.12 4.57 2.04 -1.16 -0.09 117.51 123.88 1n1b h ILE 133 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1n1b h ILE 133 Cb 0.06 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1n1b h ILE 133 CO 0.01 0.10 -0.06 0.22 0.00 0.00 0.00 178.15 178.42 1n1b h TYR 134 N 0.55 -0.15 0.00 1.37 3.20 -0.71 -3.10 116.97 118.13 1n1b h TYR 134 Ca 0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1n1b h TYR 134 Cb 0.38 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1n1b h TYR 134 CO -0.00 0.31 0.00 -0.91 -1.64 0.00 0.00 178.16 175.91 1n1b h ASN 135 N -0.71 0.00 0.13 -2.11 2.35 -0.94 -3.15 115.58 111.15 1n1b h ASN 135 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n1b h ASN 135 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1n1b h ASN 135 CO 0.03 0.00 -0.47 -0.62 -1.65 0.00 0.00 177.43 174.72 1n1b n GLU 136 N -2.80 0.80 -3.98 0.81 1.02 -0.07 -4.81 120.64 111.61 1n1b n GLU 136 Ca 0.01 -0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 56.25 1n1b n GLU 136 Cb 0.29 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.60 2.95 0.60 -0.32 3.76 -1.17 -4.98 115.29 113.52 1n1b s HIS 137 Ca 0.19 -2.25 0.29 0.00 -0.15 0.00 0.00 55.06 53.13 1n1b s HIS 137 Cb 0.18 -2.04 1.45 0.00 1.11 0.00 0.00 32.58 33.28 1n1b s HIS 137 CO 0.60 -0.86 1.86 0.87 -0.85 0.00 0.00 174.74 176.36 1n1b h LYS 138 N 7.82 0.00 -0.55 1.40 1.57 -1.87 -0.34 116.57 124.60 1n1b h LYS 138 Ca -0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1n1b h LYS 138 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1n1b h LYS 138 CO 0.46 0.00 0.03 0.00 -0.57 0.00 0.00 179.45 179.37 1n1b h PHE 140 N 0.86 0.69 -0.02 0.00 0.05 -1.35 -2.54 116.94 114.62 1n1b h PHE 140 Ca 0.17 -0.50 0.00 0.00 3.82 0.00 0.00 57.97 61.45 1n1b h PHE 140 Cb 0.47 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.39 1n1b h PHE 140 CO 0.03 1.48 -0.10 -2.39 -0.18 0.00 0.00 178.31 177.15 1n1b n HIS 141 N -3.89 0.00 -1.19 -0.55 1.44 -1.14 -4.45 115.22 105.44 1n1b n HIS 141 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1n1b n HIS 141 Cb 0.96 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.06 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 0.66 0.00 -0.18 4.39 3.02 -0.33 -5.01 115.26 117.82 1n1b n ASN 142 Ca 0.14 -1.00 -0.02 0.00 -0.03 0.00 0.00 54.58 53.67 1n1b n ASN 142 Cb 0.50 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 -5.67 -4.77 6.41 3.02 -0.87 -4.94 115.26 108.43 1n1b n ASN 143 Ca 0.00 0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.30 1n1b n ASN 143 Cb 0.25 -3.37 0.09 0.00 -0.61 0.00 0.00 39.78 36.14 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 -2.03 2.22 0.43 3.52 2.02 -1.03 -4.80 118.70 119.01 1n1b s GLU 144 Ca 0.00 1.03 -0.22 0.00 0.02 0.00 0.00 54.97 55.79 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 -1.63 1.00 0.08 0.02 0.00 0.00 175.26 174.73 1n1b s VAL 145 N -2.96 4.05 0.00 2.63 1.01 -1.26 -3.64 120.40 120.23 1n1b s VAL 145 Ca 0.61 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1n1b s VAL 145 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1n1b s VAL 145 CO 0.56 -0.17 0.00 1.21 0.00 0.00 0.00 175.10 176.70 1n1b n GLU 146 N -0.47 0.00 0.00 2.72 4.07 -1.26 -4.81 120.64 120.90 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 0.37 0.00 -0.06 0.00 0.00 31.44 32.28 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 0.18 -3.97 5.31 5.02 -1.26 -4.87 118.16 118.57 1n1b n LYS 147 Ca 0.00 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 1n1b n LYS 147 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.32 -3.87 -3.29 1.97 2.81 -1.26 -4.92 117.12 107.24 1n1b n MET 148 Ca 0.07 0.46 -0.43 0.00 -1.81 0.00 0.00 57.70 55.99 1n1b n MET 148 Cb 0.13 -4.90 -0.08 0.00 -0.71 0.00 0.00 33.22 27.65 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 -3.97 6.22 0.05 7.83 -1.08 -1.26 -4.97 116.67 119.48 1n1b s ASP 149 Ca 0.27 -0.62 -0.27 0.00 -0.52 0.00 0.00 52.55 51.41 1n1b s ASP 149 Cb -0.14 -2.24 -0.17 0.00 -1.46 0.00 0.00 42.92 38.91 1n1b s ASP 149 CO 0.88 -0.61 1.50 0.25 0.52 0.00 0.00 175.17 177.71 1n1b h LEU 150 N 9.16 -0.34 -0.48 -1.34 5.85 -1.94 -0.08 115.31 126.15 1n1b h LEU 150 Ca -0.26 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1n1b h LEU 150 Cb 1.11 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 1n1b h LEU 150 CO 0.81 -0.11 -0.24 0.22 -0.34 0.00 0.00 178.44 178.78 1n1b h TYR 151 N -0.55 -0.62 -0.54 1.25 3.20 -1.90 0.13 116.97 117.94 1n1b h TYR 151 Ca -0.04 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1n1b h TYR 151 Cb 0.41 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1n1b h TYR 151 CO -0.02 -0.32 0.17 0.35 -1.64 0.00 0.00 178.16 176.70 1n1b h PHE 152 N -0.14 0.87 -0.18 -3.82 3.57 -1.94 -1.34 116.94 113.96 1n1b h PHE 152 Ca 0.22 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1n1b h PHE 152 Cb 0.48 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1n1b h PHE 152 CO -0.51 0.74 0.02 1.15 -2.23 0.00 0.00 178.31 177.48 1n1b h THR 153 N 0.75 1.23 -0.55 4.41 2.02 -0.21 -1.11 112.91 119.45 1n1b h THR 153 Ca 0.17 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1n1b h THR 153 Cb 0.28 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1n1b h THR 153 CO -0.01 0.23 -0.00 0.00 0.37 0.00 0.00 175.52 176.11 1n1b h ALA 154 N 0.81 0.75 -0.34 6.16 0.00 -0.76 -0.57 119.26 125.30 1n1b h ALA 154 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1n1b h ALA 154 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n1b h ALA 154 CO 0.01 0.57 -0.12 1.25 0.00 0.00 0.00 179.25 180.96 1n1b h LEU 155 N 0.86 0.70 -0.63 0.00 5.85 -1.24 -2.33 115.31 118.52 1n1b h LEU 155 Ca 0.16 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1n1b h LEU 155 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1n1b h LEU 155 CO 0.03 0.92 0.15 1.23 -0.34 0.00 0.00 178.44 180.44 1n1b h GLY 156 N 0.47 1.09 0.64 3.75 0.00 -1.14 -2.09 103.07 105.79 1n1b h GLY 156 Ca 0.08 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1n1b h GLY 156 CO 0.04 0.64 -0.27 -2.75 0.00 0.00 0.00 176.54 174.20 1n1b h PHE 157 N 0.93 -0.71 0.40 5.60 3.57 -1.02 0.13 116.94 125.84 1n1b h PHE 157 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1n1b h PHE 157 Cb 0.36 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1n1b h PHE 157 CO 0.03 -0.38 -0.40 -0.09 -2.23 0.00 0.00 178.31 175.23 1n1b h ARG 158 N -0.54 -0.79 -0.56 1.11 2.43 -1.32 0.73 114.38 115.45 1n1b h ARG 158 Ca 0.01 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1n1b h ARG 158 Cb 0.52 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1n1b h ARG 158 CO -0.09 -0.53 0.36 -0.07 -1.51 0.00 0.00 179.97 178.13 1n1b h LEU 159 N -0.82 0.61 -0.37 3.80 3.38 -1.35 -0.55 115.31 120.00 1n1b h LEU 159 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1n1b h LEU 159 Cb 0.73 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1n1b h LEU 159 CO -0.07 0.43 0.17 -0.07 0.09 0.00 0.00 178.44 179.00 1n1b h LEU 160 N 0.72 0.50 -0.52 1.67 3.38 -0.60 -2.03 115.31 118.43 1n1b h LEU 160 Ca 0.21 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1n1b h LEU 160 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1n1b h LEU 160 CO -0.06 0.49 0.00 -0.09 0.09 0.00 0.00 178.44 178.87 1n1b h ARG 161 N 0.46 0.92 -0.39 1.13 2.43 -0.63 -1.29 114.38 117.02 1n1b h ARG 161 Ca 0.13 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1n1b h ARG 161 Cb 0.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1n1b h ARG 161 CO -0.01 0.94 0.26 1.96 -1.51 0.00 0.00 179.97 181.60 1n1b h GLN 162 N 0.79 0.46 -0.83 0.20 4.20 -0.96 -2.14 115.11 116.83 1n1b h GLN 162 Ca 0.15 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1n1b h GLN 162 Cb 0.52 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1n1b h GLN 162 CO 0.03 0.30 0.10 0.72 -0.67 0.00 0.00 178.83 179.31 1n1b n HIS 163 N -4.48 1.35 -0.69 2.96 8.25 -0.77 -4.90 115.22 116.94 1n1b n HIS 163 Ca 0.03 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1n1b n HIS 163 Cb 0.10 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 0.14 0.80 3.78 -1.41 0.00 -0.80 -5.04 105.19 102.65 1n1b n GLY 164 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.07 3.59 -0.86 1.61 0.40 -0.52 -4.97 117.98 114.17 1n1b s PHE 165 Ca 0.00 1.75 -0.24 0.00 -0.60 0.00 0.00 56.93 57.84 1n1b s PHE 165 Cb 0.00 -3.01 0.05 0.00 0.51 0.00 0.00 43.02 40.57 1n1b s PHE 165 CO 0.00 -0.06 1.29 1.21 0.70 0.00 0.00 175.22 178.36 1n1b s ASN 166 N -1.51 6.34 -0.11 1.36 2.47 -1.26 -4.37 114.94 117.86 1n1b s ASN 166 Ca 0.51 -1.08 0.01 0.00 0.42 0.00 0.00 52.86 52.73 1n1b s ASN 166 Cb -0.21 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.04 1n1b s ASN 166 CO 0.27 -1.58 -0.15 -0.63 -3.72 0.00 0.00 177.10 171.29 1n1b s ILE 167 N 4.90 2.93 0.34 -5.21 -1.09 -1.26 -4.96 121.20 116.86 1n1b s ILE 167 Ca 0.37 -0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 57.94 1n1b s ILE 167 Cb -0.06 -2.20 -0.08 0.00 -1.58 0.00 0.00 42.46 38.55 1n1b s ILE 167 CO 0.02 0.54 0.73 -0.55 -1.23 0.00 0.00 174.94 174.45 1n1b s SER 168 N 0.11 6.67 0.38 3.58 0.15 -1.26 -4.94 113.70 118.39 1n1b s SER 168 Ca -0.07 1.19 0.28 0.00 0.70 0.00 0.00 55.95 58.05 1n1b s SER 168 Cb -0.15 -2.34 1.25 0.00 -1.71 0.00 0.00 66.02 63.07 1n1b s SER 168 CO 0.05 -0.27 1.84 0.06 1.20 0.00 0.00 173.24 176.12 1n1b h GLN 169 N 1.91 0.00 0.00 5.44 3.07 -2.00 -2.43 115.11 121.09 1n1b h GLN 169 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1n1b h GLN 169 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1n1b h GLN 169 CO 0.65 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.32 1n1b n ASP 170 N -2.54 0.52 0.11 0.06 8.00 -1.26 -1.59 116.55 119.84 1n1b n ASP 170 Ca 0.01 0.68 0.09 0.00 0.71 0.00 0.00 54.79 56.28 1n1b n ASP 170 Cb 0.20 -0.77 0.43 0.00 -0.02 0.00 0.00 41.12 40.96 1n1b n ASP 170 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n1b n VAL 171 N -2.14 1.18 0.98 2.53 0.31 -0.92 -1.23 118.33 119.04 1n1b n VAL 171 Ca 0.00 0.54 0.12 0.00 -0.01 0.00 0.00 64.34 64.99 1n1b n VAL 171 Cb 0.12 -1.50 0.08 0.00 -0.91 0.00 0.00 33.84 31.63 1n1b n VAL 171 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1n1b n PHE 172 N -2.05 0.00 0.44 3.52 3.01 -0.62 -4.27 117.46 117.49 1n1b n PHE 172 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1n1b n PHE 172 Cb 0.08 0.00 0.42 0.00 -0.01 0.00 0.00 39.48 39.98 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 1.11 0.42 0.00 4.37 3.02 -0.36 -2.07 115.26 121.74 1n1b n ASN 173 Ca 0.13 0.60 0.12 0.00 -0.03 0.00 0.00 54.58 55.41 1n1b n ASN 173 Cb 0.57 -0.69 0.74 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 -0.99 0.00 -3.58 0.00 3.01 -0.88 -4.99 117.46 110.03 1n1b n PHE 175 Ca 0.19 -0.52 -0.35 0.00 1.01 0.00 0.00 57.45 57.77 1n1b n PHE 175 Cb 0.09 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.14 3.77 1.49 -1.08 1.02 -1.15 -1.71 119.74 120.93 1n1b s LYS 176 Ca 0.04 0.20 -0.24 0.00 0.02 0.00 0.00 55.97 55.98 1n1b s LYS 176 Cb 0.03 -3.06 0.39 0.00 -0.52 0.00 0.00 37.83 34.67 1n1b s LYS 176 CO 0.00 0.60 0.88 0.27 -0.92 0.00 0.00 175.35 176.19 1n1b n ASN 177 N 1.17 -4.16 -0.26 2.83 0.23 -0.38 -4.68 115.26 110.00 1n1b n ASN 177 Ca -0.10 -0.86 0.06 0.00 -0.53 0.00 0.00 54.58 53.15 1n1b n ASN 177 Cb 0.52 -1.02 0.18 0.00 -2.08 0.00 0.00 39.78 37.39 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 -3.65 0.16 -0.92 -3.83 5.08 -1.98 0.83 114.58 110.26 1n1b h GLU 178 Ca -0.41 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1n1b h GLU 178 Cb 1.35 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1n1b h GLU 178 CO 0.25 0.11 0.59 0.87 -1.00 0.00 0.00 179.01 179.83 1n1b h LYS 179 N 0.16 0.81 0.00 2.33 1.57 -1.93 -3.46 116.57 116.05 1n1b h LYS 179 Ca 0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1n1b h LYS 179 Cb 0.78 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1n1b h LYS 179 CO -0.62 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.21 1n1b n GLY 180 N -1.40 0.65 0.32 3.86 0.00 0.28 -4.96 105.19 103.95 1n1b n GLY 180 Ca 0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.62 0.80 -4.22 -0.61 5.41 -1.26 -4.96 119.36 111.90 1n1b n ILE 181 Ca 0.00 -0.25 -0.24 0.00 1.00 0.00 0.00 62.75 63.25 1n1b n ILE 181 Cb 0.00 -1.37 -0.08 0.00 -0.71 0.00 0.00 39.64 37.49 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 -5.86 4.37 0.42 4.38 1.11 -1.26 -5.01 116.67 114.81 1n1b s ASP 182 Ca -0.20 -0.99 -0.22 0.00 0.18 0.00 0.00 52.55 51.33 1n1b s ASP 182 Cb 0.06 -0.55 -0.10 0.00 1.07 0.00 0.00 42.92 43.40 1n1b s ASP 182 CO 0.29 -0.37 0.97 -0.36 1.18 0.00 0.00 175.17 176.87 1n1b s PHE 183 N -2.53 3.33 0.03 4.23 0.40 -1.26 -1.25 117.98 120.93 1n1b s PHE 183 Ca 0.38 1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 58.04 1n1b s PHE 183 Cb 0.01 -2.90 -0.08 0.00 0.51 0.00 0.00 43.02 40.56 1n1b s PHE 183 CO 0.21 -0.17 1.89 0.15 0.70 0.00 0.00 175.22 178.00 1n1b s LYS 184 N -2.96 4.15 0.52 0.44 1.02 -0.69 -4.60 119.74 117.61 1n1b s LYS 184 Ca 0.60 2.53 0.30 0.00 0.02 0.00 0.00 55.97 59.42 1n1b s LYS 184 Cb -0.12 -4.05 1.62 0.00 -0.52 0.00 0.00 37.83 34.76 1n1b s LYS 184 CO 0.16 -0.92 1.89 0.00 -0.92 0.00 0.00 175.35 175.57 1n1b h ALA 185 N 10.12 1.12 0.00 5.17 0.00 -1.93 0.34 119.26 134.08 1n1b h ALA 185 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1n1b h ALA 185 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n1b h ALA 185 CO 0.94 -0.12 -0.10 0.66 0.00 0.00 0.00 179.25 180.63 1n1b h SER 186 N 0.00 0.00 0.20 0.00 4.64 -1.99 -2.98 113.55 113.43 1n1b h SER 186 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1n1b h SER 186 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1n1b h SER 186 CO 0.00 0.10 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.82 1n1b h LEU 187 N 0.00 0.00 -2.43 5.97 3.38 -1.30 -2.73 115.31 118.20 1n1b h LEU 187 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1n1b h LEU 187 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1n1b h LEU 187 CO 0.01 0.17 0.16 0.00 0.09 0.00 0.00 178.44 178.87 1n1b h ALA 188 N 1.83 1.43 -0.04 1.53 0.00 -1.71 0.14 119.26 122.43 1n1b h ALA 188 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n1b h ALA 188 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n1b h ALA 188 CO 0.02 -0.19 -0.32 -0.56 0.00 0.00 0.00 179.25 178.20 1n1b h GLN 189 N 0.00 0.08 -5.32 0.00 3.07 -1.71 -3.36 115.11 107.87 1n1b h GLN 189 Ca 0.03 -0.03 -0.69 0.00 0.09 0.00 0.00 58.65 58.06 1n1b h GLN 189 Cb 0.35 -0.01 -0.14 0.00 0.08 0.00 0.00 27.48 27.76 1n1b h GLN 189 CO -0.00 0.40 1.44 0.34 0.09 0.00 0.00 178.83 181.09 1n1b s ASP 190 N -6.92 6.80 0.11 0.06 2.15 0.03 -4.86 116.67 114.04 1n1b s ASP 190 Ca -0.04 -2.34 -0.27 0.00 0.43 0.00 0.00 52.55 50.33 1n1b s ASP 190 Cb 0.14 -2.47 -0.09 0.00 -0.30 0.00 0.00 42.92 40.20 1n1b s ASP 190 CO 0.73 -1.06 1.64 0.74 -0.17 0.00 0.00 175.17 177.05 1n1b h THR 191 N 5.57 0.44 -0.54 1.71 2.02 -1.82 0.37 112.91 120.66 1n1b h THR 191 Ca 0.28 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.56 1n1b h THR 191 Cb 0.94 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 1n1b h THR 191 CO 1.29 0.00 0.12 0.50 0.37 0.00 0.00 175.52 177.80 1n1b h LYS 192 N -0.48 0.25 -0.18 6.66 3.64 -1.96 -1.19 116.57 123.32 1n1b h LYS 192 Ca 0.02 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1n1b h LYS 192 Cb 0.49 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1n1b h LYS 192 CO -0.13 0.17 -0.23 0.78 -2.27 0.00 0.00 179.45 177.77 1n1b h GLY 193 N 0.26 0.34 1.02 5.01 0.00 -1.85 -3.03 103.07 104.82 1n1b h GLY 193 Ca 0.27 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1n1b h GLY 193 CO -0.34 0.23 -0.18 -0.33 0.00 0.00 0.00 176.54 175.92 1n1b h MET 194 N 0.28 0.84 -0.94 4.80 2.86 0.21 -2.51 114.93 120.48 1n1b h MET 194 Ca 0.05 -0.36 0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1n1b h MET 194 Cb 0.56 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1n1b h MET 194 CO 0.04 1.00 0.58 1.25 1.06 0.00 0.00 176.91 180.84 1n1b h LEU 195 N 0.65 0.89 -0.80 1.22 5.85 -1.18 0.66 115.31 122.60 1n1b h LEU 195 Ca 0.09 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1n1b h LEU 195 Cb 0.74 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1n1b h LEU 195 CO 0.06 0.53 -0.12 1.56 -0.34 0.00 0.00 178.44 180.12 1n1b h GLN 196 N 1.00 0.77 -0.30 1.25 1.08 -1.47 -1.33 115.11 116.12 1n1b h GLN 196 Ca 0.43 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1n1b h GLN 196 Cb 0.30 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1n1b h GLN 196 CO -0.21 0.86 0.08 1.25 -0.95 0.00 0.00 178.83 179.86 1n1b h LEU 197 N 0.70 0.46 0.30 1.46 5.85 -0.72 -0.68 115.31 122.68 1n1b h LEU 197 Ca 0.12 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1n1b h LEU 197 Cb 0.61 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1n1b h LEU 197 CO 0.04 0.56 -0.40 0.22 -0.34 0.00 0.00 178.44 178.53 1n1b h TYR 198 N 0.33 -1.09 -0.38 1.25 3.20 -0.71 -1.68 116.97 117.89 1n1b h TYR 198 Ca 0.10 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1n1b h TYR 198 Cb 0.28 0.44 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 1n1b h TYR 198 CO 0.01 -0.53 -0.03 0.93 -1.64 0.00 0.00 178.16 176.90 1n1b h GLU 199 N -0.75 0.06 -0.05 1.82 4.39 -1.15 -2.35 114.58 116.55 1n1b h GLU 199 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1n1b h GLU 199 Cb 0.70 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1n1b h GLU 199 CO -0.12 0.04 -0.00 0.00 -1.16 0.00 0.00 179.01 177.77 1n1b h ALA 200 N 1.35 1.91 0.00 3.43 0.00 -0.87 -2.75 119.26 122.32 1n1b h ALA 200 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n1b h ALA 200 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n1b h ALA 200 CO -0.34 0.07 -0.11 0.66 0.00 0.00 0.00 179.25 179.54 1n1b h SER 201 N 0.07 0.00 0.05 0.00 4.64 -0.74 -2.69 113.55 114.88 1n1b h SER 201 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1n1b h SER 201 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1n1b h SER 201 CO 0.00 0.11 0.00 0.49 -0.87 0.00 0.00 176.83 176.56 1n1b n PHE 202 N -3.78 0.00 0.17 4.77 3.01 -1.04 -2.44 117.46 118.16 1n1b n PHE 202 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 1n1b n PHE 202 Cb 0.21 -0.03 0.25 0.00 -0.01 0.00 0.00 39.48 39.90 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 -1.03 3.14 -4.73 4.37 4.77 -1.01 -4.93 117.00 117.58 1n1b n LEU 203 Ca 0.19 -1.57 -0.36 0.00 -0.03 0.00 0.00 56.01 54.24 1n1b n LEU 203 Cb 0.10 -0.40 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1n1b n LEU 203 CO 0.15 0.71 0.88 -1.48 -1.33 0.00 0.00 177.39 176.33 1n1b s LEU 204 N -1.13 3.50 0.00 2.23 2.34 -1.02 -5.00 118.68 119.60 1n1b s LEU 204 Ca 0.37 2.58 0.02 0.00 0.06 0.00 0.00 54.13 57.16 1n1b s LEU 204 Cb 0.21 -4.61 -0.01 0.00 -0.56 0.00 0.00 46.19 41.22 1n1b s LEU 204 CO 0.23 -2.13 0.06 0.54 -1.06 0.00 0.00 176.35 174.00 1n1b n ARG 205 N -2.16 0.69 -1.70 1.48 1.74 -1.26 -4.60 116.66 110.84 1n1b n ARG 205 Ca 0.15 -3.62 -0.43 0.00 -0.77 0.00 0.00 57.85 53.18 1n1b n ARG 205 Cb 0.49 1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 33.27 1n1b n ARG 205 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1n1b n LYS 206 N -1.13 2.56 0.00 5.56 4.81 -1.26 -2.34 118.16 126.36 1n1b n LYS 206 Ca -0.15 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1n1b n LYS 206 Cb 0.63 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.95 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 3.63 2.17 3.38 3.14 0.00 -1.26 -4.97 105.19 111.28 1n1b n GLY 207 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.19 0.22 1.61 1.02 -0.99 -4.76 120.64 118.93 1n1b n GLU 208 Ca 0.00 -3.27 0.07 0.00 -0.02 0.00 0.00 57.16 53.94 1n1b n GLU 208 Cb 0.00 -3.36 0.50 0.00 -0.02 0.00 0.00 31.44 28.56 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 7.15 0.00 -0.60 1.62 3.32 -1.93 -2.93 116.42 123.05 1n1b h ASP 209 Ca 0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1n1b h ASP 209 Cb 0.82 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1n1b h ASP 209 CO 1.50 0.26 0.27 0.74 -1.72 0.00 0.00 179.24 180.29 1n1b h THR 210 N 0.00 1.22 -0.41 0.35 2.02 -1.94 -1.58 112.91 112.57 1n1b h THR 210 Ca -0.00 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 1n1b h THR 210 Cb 0.56 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1n1b h THR 210 CO 0.03 0.26 0.01 -0.07 0.37 0.00 0.00 175.52 176.12 1n1b h LEU 211 N 0.82 0.61 -0.59 2.58 3.38 -1.86 -0.64 115.31 119.61 1n1b h LEU 211 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1n1b h LEU 211 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n1b h LEU 211 CO -0.02 0.68 0.04 -0.08 0.09 0.00 0.00 178.44 179.15 1n1b h GLU 212 N 0.61 1.02 -0.81 1.13 4.57 -1.44 -1.84 114.58 117.82 1n1b h GLU 212 Ca 0.13 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1n1b h GLU 212 Cb 0.37 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1n1b h GLU 212 CO 0.01 0.98 0.35 1.25 -1.18 0.00 0.00 179.01 180.43 1n1b h LEU 213 N 0.91 1.09 -1.16 1.64 5.85 -0.73 -2.08 115.31 120.83 1n1b h LEU 213 Ca 0.17 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1n1b h LEU 213 Cb 0.50 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1n1b h LEU 213 CO 0.02 0.95 0.28 0.00 -0.34 0.00 0.00 178.44 179.35 1n1b h ALA 214 N 1.21 1.35 0.36 1.25 0.00 -0.75 -1.41 119.26 121.27 1n1b h ALA 214 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n1b h ALA 214 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n1b h ALA 214 CO -0.03 0.51 -0.17 -0.09 0.00 0.00 0.00 179.25 179.47 1n1b h ARG 215 N 0.87 -0.46 -0.35 0.00 2.43 -0.64 0.13 114.38 116.35 1n1b h ARG 215 Ca 0.21 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1n1b h ARG 215 Cb 0.11 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1n1b h ARG 215 CO -0.03 -0.29 0.21 0.93 -1.51 0.00 0.00 179.97 179.29 1n1b h GLU 216 N -0.51 0.48 0.74 0.20 5.08 -1.34 0.06 114.58 119.29 1n1b h GLU 216 Ca -0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1n1b h GLU 216 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1n1b h GLU 216 CO 0.08 0.37 -0.50 0.35 -1.00 0.00 0.00 179.01 178.31 1n1b h PHE 217 N 0.46 -1.33 -0.78 4.33 -0.00 -1.14 -2.59 116.94 115.88 1n1b h PHE 217 Ca 0.13 -0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.10 1n1b h PHE 217 Cb 0.01 0.48 -0.04 0.00 -0.00 0.00 0.00 35.95 36.40 1n1b h PHE 217 CO -0.04 -0.72 0.51 0.00 -0.00 0.00 0.00 178.31 178.06 1n1b h ALA 218 N -1.13 1.00 -0.30 2.41 0.00 -0.71 -2.66 119.26 117.87 1n1b h ALA 218 Ca -0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1n1b h ALA 218 Cb 0.95 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1n1b h ALA 218 CO 0.07 0.37 0.09 1.15 0.00 0.00 0.00 179.25 180.94 1n1b h THR 219 N 1.03 0.90 0.08 0.00 2.02 -0.94 -0.59 112.91 115.41 1n1b h THR 219 Ca 0.29 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1n1b h THR 219 Cb -0.08 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1n1b h THR 219 CO -0.08 0.04 -0.07 0.11 0.37 0.00 0.00 175.52 175.89 1n1b h LYS 220 N 0.21 -0.16 0.19 6.66 1.57 -1.30 -0.49 116.57 123.24 1n1b h LYS 220 Ca 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1n1b h LYS 220 Cb 0.12 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1n1b h LYS 220 CO -0.15 -0.11 -0.42 0.00 -0.57 0.00 0.00 179.45 178.20 1n1b h LEU 222 N -0.66 0.62 -0.66 0.00 3.38 -1.07 0.13 115.31 117.04 1n1b h LEU 222 Ca -0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1n1b h LEU 222 Cb 0.63 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1n1b h LEU 222 CO -0.18 0.34 0.25 -0.61 0.09 0.00 0.00 178.44 178.33 1n1b h GLN 223 N 0.74 1.00 -0.01 1.13 5.75 -0.78 -1.23 115.11 121.71 1n1b h GLN 223 Ca 0.41 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1n1b h GLN 223 Cb 0.42 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 1n1b h GLN 223 CO -0.27 0.84 0.00 0.87 -2.65 0.00 0.00 178.83 177.62 1n1b h LYS 224 N 0.94 0.01 0.00 1.69 1.57 0.10 -2.25 116.57 118.64 1n1b h LYS 224 Ca 0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1n1b h LYS 224 Cb 0.23 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1n1b h LYS 224 CO -0.02 0.29 0.00 -0.22 -0.57 0.00 0.00 179.45 178.93 1n1b h LYS 225 N -0.26 0.00 0.00 3.15 1.63 -0.65 0.21 116.57 120.65 1n1b h LYS 225 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1n1b h LYS 225 Cb 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1n1b h LYS 225 CO 0.00 0.00 -0.54 -0.11 -3.45 0.00 0.00 179.45 175.35 1n1b n LEU 226 N -2.77 0.60 -1.96 5.20 7.94 -0.48 -5.07 117.00 120.46 1n1b n LEU 226 Ca -0.02 0.18 -0.11 0.00 -1.11 0.00 0.00 56.01 54.95 1n1b n LEU 226 Cb 0.06 -0.23 0.23 0.00 0.53 0.00 0.00 43.42 44.01 1n1b n LEU 226 CO 0.16 0.00 1.06 0.47 -1.11 0.00 0.00 177.39 177.97 1n1b n ASP 227 N -1.89 4.21 0.00 1.96 8.00 0.73 -5.08 116.55 124.48 1n1b n ASP 227 Ca 0.04 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.34 1n1b n ASP 227 Cb 0.40 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1n1b n ASP 227 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n1b n ASP 234 N -0.42 0.00 -0.14 -2.24 -0.08 -1.26 -4.98 116.55 107.44 1n1b n ASP 234 Ca 0.43 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.61 1n1b n ASP 234 Cb 1.38 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.83 1n1b n ASP 234 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1n1b h GLU 235 N 0.00 0.66 0.15 -0.67 4.57 -2.05 0.05 114.58 117.28 1n1b h GLU 235 Ca 0.00 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1n1b h GLU 235 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1n1b h GLU 235 CO 0.00 0.69 -0.07 -0.91 -1.18 0.00 0.00 179.01 177.54 1n1b h ASN 236 N 0.51 -0.17 -0.65 1.04 2.35 -1.99 -1.31 115.58 115.35 1n1b h ASN 236 Ca 0.12 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.80 1n1b h ASN 236 Cb 0.35 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1n1b h ASN 236 CO 0.01 0.07 0.43 0.25 -1.65 0.00 0.00 177.43 176.54 1n1b h LEU 237 N -0.41 0.48 -0.24 1.61 5.85 -1.98 -0.54 115.31 120.07 1n1b h LEU 237 Ca -0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1n1b h LEU 237 Cb 0.33 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1n1b h LEU 237 CO 0.03 0.29 0.03 0.25 -0.34 0.00 0.00 178.44 178.71 1n1b h LEU 238 N 0.54 0.40 -0.89 2.25 5.85 -0.62 -1.10 115.31 121.73 1n1b h LEU 238 Ca 0.30 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1n1b h LEU 238 Cb 0.46 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1n1b h LEU 238 CO -0.09 0.57 0.53 -0.07 -0.34 0.00 0.00 178.44 179.04 1n1b h LEU 239 N 0.20 1.07 -1.04 2.25 3.38 -0.13 -2.35 115.31 118.69 1n1b h LEU 239 Ca 0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1n1b h LEU 239 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1n1b h LEU 239 CO 0.01 0.83 -0.02 -0.25 0.09 0.00 0.00 178.44 179.10 1n1b h TRP 240 N 1.22 0.71 -0.27 1.13 2.91 -0.92 -2.50 115.95 118.24 1n1b h TRP 240 Ca 0.32 -0.09 -0.05 0.00 1.13 0.00 0.00 58.89 60.19 1n1b h TRP 240 Cb -0.04 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.40 1n1b h TRP 240 CO 0.00 0.68 -0.04 0.82 -1.03 0.00 0.00 178.44 178.87 1n1b h ILE 241 N 0.63 1.27 -0.70 2.65 2.04 -0.70 -1.73 117.51 120.98 1n1b h ILE 241 Ca 0.13 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1n1b h ILE 241 Cb 0.42 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1n1b h ILE 241 CO 0.02 0.33 0.39 -0.09 0.00 0.00 0.00 178.15 178.79 1n1b h ARG 242 N 0.27 0.96 0.07 2.37 2.43 -1.35 0.79 114.38 119.93 1n1b h ARG 242 Ca 0.07 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1n1b h ARG 242 Cb 0.50 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1n1b h ARG 242 CO 0.02 0.70 -0.03 1.25 -1.51 0.00 0.00 179.97 180.40 1n1b h HIS 243 N 0.97 -0.08 0.00 2.20 2.76 -1.27 -2.60 115.15 117.13 1n1b h HIS 243 Ca 0.25 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 1n1b h HIS 243 Cb 0.02 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1n1b h HIS 243 CO 0.01 0.07 -0.39 0.77 -1.30 0.00 0.00 177.93 177.09 1n1b h SER 244 N -0.22 0.00 0.30 3.26 0.02 -0.91 -2.60 113.55 113.39 1n1b h SER 244 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1n1b h SER 244 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1n1b h SER 244 CO 0.02 0.39 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.57 1n1b h LEU 245 N 0.00 0.20 -0.05 5.07 3.38 -0.73 -2.38 115.31 120.80 1n1b h LEU 245 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n1b h LEU 245 Cb 0.78 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1n1b h LEU 245 CO 0.05 0.63 -0.03 0.44 0.09 0.00 0.00 178.44 179.61 1n1b h ASP 246 N 0.15 0.12 -2.94 -0.43 3.32 -1.21 -3.44 116.42 112.00 1n1b h ASP 246 Ca 0.01 -0.44 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 1n1b h ASP 246 Cb 0.86 -0.03 -0.28 0.00 0.22 0.00 0.00 39.33 40.10 1n1b h ASP 246 CO 0.07 0.54 -0.38 -0.76 -1.72 0.00 0.00 179.24 176.99 1n1b s LEU 247 N -9.28 -0.26 0.87 1.55 1.43 -1.00 -5.14 118.68 106.85 1n1b s LEU 247 Ca -0.15 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1n1b s LEU 247 Cb 0.03 1.18 0.11 0.00 0.03 0.00 0.00 46.19 47.55 1n1b s LEU 247 CO 0.70 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 176.02 1n1b s PRO 248 N 1.96 1.45 0.44 1.29 0.04 -0.91 -3.99 135.00 135.29 1n1b s PRO 248 Ca -0.05 1.25 0.12 0.00 0.04 0.00 0.00 61.00 62.36 1n1b s PRO 248 Cb -0.10 -1.80 1.02 0.00 0.04 0.00 0.00 34.50 33.66 1n1b s PRO 248 CO -0.12 -2.23 2.03 -0.07 0.04 0.00 0.00 177.00 176.66 1n1b h LEU 249 N -1.56 0.33 -2.04 -3.56 3.38 -1.91 0.05 115.31 110.00 1n1b h LEU 249 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1n1b h LEU 249 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1n1b h LEU 249 CO 0.48 0.22 0.00 -0.74 0.09 0.00 0.00 178.44 178.49 1n1b h HIS 250 N 0.38 0.00 -0.49 1.13 2.76 -1.90 -1.33 115.15 115.71 1n1b h HIS 250 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1n1b h HIS 250 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.24 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 -2.78 0.73 -4.49 5.26 7.02 -0.00 -4.99 117.44 118.19 1n1b n TRP 251 Ca -0.01 -0.53 -0.26 0.00 -1.02 0.00 0.00 57.50 55.68 1n1b n TRP 251 Cb 0.13 -0.05 -0.10 0.00 -2.42 0.00 0.00 31.31 28.87 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 -1.17 1.91 -0.09 -0.99 0.52 -0.50 -4.78 118.95 113.85 1n1b s ARG 252 Ca 0.35 -1.90 0.02 0.00 -0.52 0.00 0.00 55.73 53.68 1n1b s ARG 252 Cb 0.19 -1.76 0.01 0.00 0.52 0.00 0.00 34.95 33.91 1n1b s ARG 252 CO 0.22 0.12 -0.16 0.42 0.02 0.00 0.00 175.30 175.92 1n1b s ILE 253 N -2.59 1.45 0.20 1.52 1.01 -1.26 -4.98 121.20 116.54 1n1b s ILE 253 Ca 0.33 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1n1b s ILE 253 Cb 0.02 -1.31 0.13 0.00 0.01 0.00 0.00 42.46 41.32 1n1b s ILE 253 CO 0.17 0.43 1.87 -0.61 0.00 0.00 0.00 174.94 176.80 1n1b h GLN 254 N 7.08 0.91 0.00 2.79 -0.00 -1.92 -1.51 115.11 122.46 1n1b h GLN 254 Ca -0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.30 1n1b h GLN 254 Cb 1.19 -0.21 -0.00 0.00 0.00 0.00 0.00 27.48 28.47 1n1b h GLN 254 CO 0.48 0.60 -0.07 0.66 0.00 0.00 0.00 178.83 180.50 1n1b h SER 255 N 0.94 0.00 0.11 -0.69 4.64 -1.91 0.88 113.55 117.52 1n1b h SER 255 Ca 0.25 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.30 1n1b h SER 255 Cb -0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1n1b h SER 255 CO -0.05 0.07 -1.38 0.58 -0.87 0.00 0.00 176.83 175.18 1n1b h VAL 256 N 0.00 1.05 -0.80 0.95 2.07 -1.73 -3.38 116.25 114.41 1n1b h VAL 256 Ca -0.00 -2.40 -0.46 0.00 0.82 0.00 0.00 66.70 64.66 1n1b h VAL 256 Cb 0.20 2.73 -0.26 0.00 -1.52 0.00 0.00 31.29 32.45 1n1b h VAL 256 CO 0.01 0.70 0.39 -0.62 0.02 0.00 0.00 177.57 178.07 1n1b n GLU 257 N -3.94 2.31 -0.22 1.57 1.02 -0.62 -4.71 120.64 116.05 1n1b n GLU 257 Ca -0.24 -3.20 0.02 0.00 -0.02 0.00 0.00 57.16 53.71 1n1b n GLU 257 Cb 0.89 -2.11 0.14 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.28 0.88 -0.76 0.62 0.00 -1.01 -1.79 119.26 118.48 1n1b h ALA 258 Ca 0.50 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1n1b h ALA 258 Cb 2.03 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 1n1b h ALA 258 CO 0.98 -0.20 0.38 -0.09 0.00 0.00 0.00 179.25 180.32 1n1b h ARG 259 N 0.42 1.09 -0.44 0.00 2.43 -1.86 -1.06 114.38 114.95 1n1b h ARG 259 Ca 0.35 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1n1b h ARG 259 Cb 0.47 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1n1b h ARG 259 CO -0.35 0.84 0.25 2.35 -1.51 0.00 0.00 179.97 181.55 1n1b h TRP 260 N 1.07 0.59 -0.36 2.20 7.01 -1.71 -0.43 115.95 124.31 1n1b h TRP 260 Ca 0.26 -0.01 -0.15 0.00 2.11 0.00 0.00 58.89 61.11 1n1b h TRP 260 Cb 0.10 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1n1b h TRP 260 CO 0.01 0.43 -0.35 0.74 -2.79 0.00 0.00 178.44 176.48 1n1b h PHE 261 N 0.57 1.00 -0.41 2.65 -1.00 -1.22 -1.53 116.94 117.00 1n1b h PHE 261 Ca 0.16 -0.28 -0.06 0.00 2.81 0.00 0.00 57.97 60.60 1n1b h PHE 261 Cb 0.03 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 1n1b h PHE 261 CO -0.03 1.07 0.03 0.82 -1.61 0.00 0.00 178.31 178.59 1n1b h ILE 262 N 0.70 1.25 -0.80 -0.55 2.04 -1.04 -1.19 117.51 117.93 1n1b h ILE 262 Ca 0.07 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1n1b h ILE 262 Cb 0.92 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1n1b h ILE 262 CO 0.08 0.32 0.43 0.44 0.00 0.00 0.00 178.15 179.42 1n1b h ASP 263 N 0.54 1.01 -0.65 1.72 3.32 -1.03 -1.41 116.42 119.91 1n1b h ASP 263 Ca 0.12 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1n1b h ASP 263 Cb 0.43 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1n1b h ASP 263 CO 0.01 0.82 0.23 0.00 -1.72 0.00 0.00 179.24 178.59 1n1b h ALA 264 N 1.22 0.85 -0.44 3.45 0.00 -1.05 -2.72 119.26 120.58 1n1b h ALA 264 Ca 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1n1b h ALA 264 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n1b h ALA 264 CO -0.04 0.50 -0.06 -0.92 0.00 0.00 0.00 179.25 178.73 1n1b h TYR 265 N 0.93 0.81 0.00 0.00 3.20 -0.86 -2.54 116.97 118.52 1n1b h TYR 265 Ca 0.21 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1n1b h TYR 265 Cb 0.25 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1n1b h TYR 265 CO 0.02 0.78 0.00 0.00 -1.64 0.00 0.00 178.16 177.32 1n1b h ALA 266 N 1.25 1.00 0.00 1.82 0.00 -0.97 -2.65 119.26 119.71 1n1b h ALA 266 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n1b h ALA 266 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n1b h ALA 266 CO 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.04 1n1b h ARG 267 N 0.00 0.00 -6.57 0.00 -0.00 -1.20 -3.46 114.38 103.14 1n1b h ARG 267 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.95 1n1b h ARG 267 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.36 1n1b h ARG 267 CO 0.00 0.12 0.64 1.03 0.00 0.00 0.00 179.97 181.76 1n1b s ARG 268 N -3.16 4.39 0.37 0.04 0.52 -1.00 -4.93 118.95 115.19 1n1b s ARG 268 Ca 0.05 1.95 0.04 0.00 -0.52 0.00 0.00 55.73 57.26 1n1b s ARG 268 Cb 0.06 -3.26 0.73 0.00 0.52 0.00 0.00 34.95 32.99 1n1b s ARG 268 CO 0.70 -0.30 2.02 -1.35 0.02 0.00 0.00 175.30 176.39 1n1b h PRO 269 N 6.29 0.68 -0.48 3.54 0.11 -1.89 -1.74 132.00 138.51 1n1b h PRO 269 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n1b h PRO 269 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1n1b h PRO 269 CO 0.81 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.67 1n1b n ASP 270 N -4.44 2.30 -4.67 -2.05 5.75 -1.26 -4.96 116.55 107.22 1n1b n ASP 270 Ca 0.05 -2.12 -0.44 0.00 -0.01 0.00 0.00 54.79 52.26 1n1b n ASP 270 Cb 0.07 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1n1b n ASP 270 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1n1b n MET 271 N 0.49 1.97 -3.20 0.11 1.56 -0.66 -4.95 117.12 112.44 1n1b n MET 271 Ca 0.12 0.70 -0.40 0.00 -0.27 0.00 0.00 57.70 57.85 1n1b n MET 271 Cb 0.41 -2.31 -0.07 0.00 2.15 0.00 0.00 33.22 33.40 1n1b n MET 271 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1n1b s ASN 272 N 0.08 6.52 0.36 6.12 3.84 -1.26 -4.97 114.94 125.65 1n1b s ASN 272 Ca 0.65 0.63 0.06 0.00 0.21 0.00 0.00 52.86 54.41 1n1b s ASN 272 Cb -0.64 -2.30 0.74 0.00 -0.55 0.00 0.00 41.25 38.50 1n1b s ASN 272 CO 0.53 -0.28 1.97 1.55 -2.79 0.00 0.00 177.10 178.08 1n1b h PRO 273 N 7.80 0.73 -0.22 0.43 0.13 -1.99 -1.10 132.00 137.77 1n1b h PRO 273 Ca -0.30 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1n1b h PRO 273 Cb 1.14 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1n1b h PRO 273 CO 0.74 0.48 -0.62 -0.07 -0.23 0.00 0.00 178.00 178.30 1n1b h LEU 274 N 0.75 0.94 -0.54 1.56 3.38 -1.98 0.11 115.31 119.52 1n1b h LEU 274 Ca 0.30 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1n1b h LEU 274 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1n1b h LEU 274 CO -0.09 1.35 0.10 0.40 0.09 0.00 0.00 178.44 180.28 1n1b h ILE 275 N 0.57 1.25 -0.13 1.22 2.04 -1.88 0.16 117.51 120.74 1n1b h ILE 275 Ca -0.01 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1n1b h ILE 275 Cb 1.24 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1n1b h ILE 275 CO 0.13 0.34 0.07 0.15 0.00 0.00 0.00 178.15 178.84 1n1b h PHE 276 N 0.77 0.18 -0.59 1.37 3.57 -1.12 -0.50 116.94 120.62 1n1b h PHE 276 Ca 0.16 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1n1b h PHE 276 Cb 0.39 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1n1b h PHE 276 CO 0.03 0.20 0.38 1.49 -2.23 0.00 0.00 178.31 178.17 1n1b h GLU 277 N 0.11 0.74 -0.55 1.11 4.81 -0.54 -2.07 114.58 118.20 1n1b h GLU 277 Ca 0.05 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1n1b h GLU 277 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1n1b h GLU 277 CO -0.01 0.49 0.15 1.25 -0.73 0.00 0.00 179.01 180.16 1n1b h LEU 278 N 0.76 0.82 -0.62 1.64 5.85 -0.81 -1.45 115.31 121.51 1n1b h LEU 278 Ca 0.22 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1n1b h LEU 278 Cb -0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1n1b h LEU 278 CO -0.06 0.83 0.38 0.00 -0.34 0.00 0.00 178.44 179.24 1n1b h ALA 279 N 1.02 0.80 -0.33 1.25 0.00 -0.76 0.11 119.26 121.36 1n1b h ALA 279 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 279 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n1b h ALA 279 CO -0.00 0.12 -0.14 0.87 0.00 0.00 0.00 179.25 180.10 1n1b h LYS 280 N 0.74 0.67 -0.57 0.00 1.57 -1.26 -1.56 116.57 116.17 1n1b h LYS 280 Ca 0.25 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1n1b h LYS 280 Cb 0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1n1b h LYS 280 CO -0.10 0.87 0.24 1.25 -0.57 0.00 0.00 179.45 181.14 1n1b h LEU 281 N 0.44 0.77 -0.65 2.94 5.85 -0.96 -1.23 115.31 122.47 1n1b h LEU 281 Ca 0.07 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1n1b h LEU 281 Cb 0.66 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1n1b h LEU 281 CO 0.04 0.71 0.27 -1.13 -0.34 0.00 0.00 178.44 178.00 1n1b h ASN 282 N 0.78 0.88 -0.28 1.25 -1.24 -0.75 -0.97 115.58 115.25 1n1b h ASN 282 Ca 0.19 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.08 1n1b h ASN 282 Cb 0.17 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1n1b h ASN 282 CO -0.02 0.80 0.06 0.15 -1.29 0.00 0.00 177.43 177.13 1n1b h PHE 283 N 0.91 0.10 -0.20 0.67 3.57 -0.89 -0.53 116.94 120.56 1n1b h PHE 283 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1n1b h PHE 283 Cb 0.18 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1n1b h PHE 283 CO 0.01 0.03 -0.33 -0.91 -2.23 0.00 0.00 178.31 174.88 1n1b h ASN 284 N 0.16 0.43 -0.19 0.41 2.35 -0.90 -0.26 115.58 117.57 1n1b h ASN 284 Ca 0.13 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1n1b h ASN 284 Cb 0.13 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1n1b h ASN 284 CO -0.16 0.74 -0.33 0.40 -1.65 0.00 0.00 177.43 176.43 1n1b h ILE 285 N 0.36 1.33 -0.20 2.81 2.04 -0.92 -2.34 117.51 120.59 1n1b h ILE 285 Ca 0.04 -1.55 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 1n1b h ILE 285 Cb 0.76 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1n1b h ILE 285 CO 0.06 0.48 -0.26 0.40 0.00 0.00 0.00 178.15 178.82 1n1b h ILE 286 N 0.23 1.26 -0.57 -0.67 2.04 -1.00 -2.35 117.51 116.45 1n1b h ILE 286 Ca 0.01 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1n1b h ILE 286 Cb 0.91 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1n1b h ILE 286 CO 0.07 0.38 0.31 -0.61 0.00 0.00 0.00 178.15 178.30 1n1b h GLN 287 N 0.34 0.80 -0.91 2.37 4.15 -0.94 0.35 115.11 121.28 1n1b h GLN 287 Ca 0.05 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1n1b h GLN 287 Cb 0.64 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1n1b h GLN 287 CO 0.05 0.62 0.57 0.00 -1.93 0.00 0.00 178.83 178.14 1n1b h ALA 288 N 1.14 1.15 -0.53 3.38 0.00 -1.06 -0.00 119.26 123.33 1n1b h ALA 288 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1n1b h ALA 288 Cb 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1n1b h ALA 288 CO -0.03 0.58 0.12 1.15 0.00 0.00 0.00 179.25 181.07 1n1b h THR 289 N 1.24 1.25 -0.76 0.00 2.02 -0.89 -2.39 112.91 113.37 1n1b h THR 289 Ca 0.33 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1n1b h THR 289 Cb -0.10 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1n1b h THR 289 CO -0.07 0.32 0.38 0.45 0.37 0.00 0.00 175.52 176.98 1n1b h HIS 290 N 0.74 1.06 -0.48 3.16 -0.00 -0.26 -1.58 115.15 117.78 1n1b h HIS 290 Ca 0.16 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1n1b h HIS 290 Cb 0.36 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1n1b h HIS 290 CO 0.02 0.75 0.02 1.96 -0.00 0.00 0.00 177.93 180.69 1n1b h GLN 291 N 1.07 0.79 -0.42 2.45 4.20 -0.71 0.24 115.11 122.73 1n1b h GLN 291 Ca 0.26 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1n1b h GLN 291 Cb 0.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1n1b h GLN 291 CO -0.04 0.78 -0.27 0.37 -0.67 0.00 0.00 178.83 179.00 1n1b h GLN 292 N 0.74 0.89 -0.59 1.46 5.75 -0.94 -0.63 115.11 121.80 1n1b h GLN 292 Ca 0.15 -0.40 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1n1b h GLN 292 Cb 0.42 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1n1b h GLN 292 CO 0.02 1.05 0.23 0.93 -2.65 0.00 0.00 178.83 178.40 1n1b h GLU 293 N 0.76 0.89 -0.59 1.69 5.08 -0.85 -1.88 114.58 119.69 1n1b h GLU 293 Ca 0.09 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1n1b h GLU 293 Cb 0.83 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1n1b h GLU 293 CO 0.07 0.77 0.11 1.25 -1.00 0.00 0.00 179.01 180.21 1n1b h LEU 294 N 0.82 0.89 -0.73 1.33 5.85 -0.73 -1.51 115.31 121.23 1n1b h LEU 294 Ca 0.20 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1n1b h LEU 294 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1n1b h LEU 294 CO -0.01 0.88 0.24 0.11 -0.34 0.00 0.00 178.44 179.32 1n1b h LYS 295 N 0.89 1.13 -0.57 1.25 1.57 -0.78 0.81 116.57 120.87 1n1b h LYS 295 Ca 0.18 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1n1b h LYS 295 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1n1b h LYS 295 CO 0.01 0.95 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.38 1n1b h ASP 296 N 1.08 1.00 -0.61 0.86 3.32 -0.98 -1.85 116.42 119.23 1n1b h ASP 296 Ca 0.24 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1n1b h ASP 296 Cb 0.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1n1b h ASP 296 CO -0.01 1.06 0.13 -0.07 -1.72 0.00 0.00 179.24 178.64 1n1b h LEU 297 N 0.93 0.94 -1.24 1.55 3.38 -0.92 -2.82 115.31 117.13 1n1b h LEU 297 Ca 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1n1b h LEU 297 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1n1b h LEU 297 CO 0.03 0.94 0.10 -1.28 0.09 0.00 0.00 178.44 178.33 1n1b h SER 298 N 0.90 0.58 -0.41 -0.43 0.87 -0.56 -0.16 113.55 114.34 1n1b h SER 298 Ca 0.19 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1n1b h SER 298 Cb 0.38 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1n1b h SER 298 CO 0.01 0.58 0.19 -0.09 -0.53 0.00 0.00 176.83 176.99 1n1b h ARG 299 N 0.62 0.59 0.02 2.24 2.43 -1.10 0.11 114.38 119.29 1n1b h ARG 299 Ca 0.14 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1n1b h ARG 299 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1n1b h ARG 299 CO -0.00 0.53 -0.01 2.35 -1.51 0.00 0.00 179.97 181.32 1n1b h TRP 300 N 0.52 -0.02 -0.93 2.20 7.01 -1.24 -2.83 115.95 120.67 1n1b h TRP 300 Ca 0.14 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.22 1n1b h TRP 300 Cb 0.13 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.13 1n1b h TRP 300 CO -0.01 0.25 0.58 2.35 -2.79 0.00 0.00 178.44 178.82 1n1b h TRP 301 N -0.30 1.06 -0.58 2.65 -0.00 -0.91 -1.78 115.95 116.09 1n1b h TRP 301 Ca -0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1n1b h TRP 301 Cb 0.29 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.08 1n1b h TRP 301 CO 0.02 0.49 0.15 0.77 -0.00 0.00 0.00 178.44 179.87 1n1b h SER 302 N 1.00 0.84 -0.42 2.65 0.02 -0.93 -2.84 113.55 113.87 1n1b h SER 302 Ca 0.42 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1n1b h SER 302 Cb 0.28 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1n1b h SER 302 CO -0.21 0.82 0.16 -0.09 -1.14 0.00 0.00 176.83 176.37 1n1b h ARG 303 N 0.86 0.70 -0.13 3.45 1.12 -1.07 -2.81 114.38 116.50 1n1b h ARG 303 Ca 0.19 -0.11 -0.14 0.00 -1.11 0.00 0.00 59.98 58.81 1n1b h ARG 303 Cb 0.30 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1n1b h ARG 303 CO -0.00 0.60 -0.52 -0.07 -3.11 0.00 0.00 179.97 176.87 1n1b h LEU 304 N 0.69 0.40 1.70 3.80 4.07 -1.27 -3.47 115.31 121.23 1n1b h LEU 304 Ca 0.16 -0.21 -0.40 0.00 0.08 0.00 0.00 57.88 57.52 1n1b h LEU 304 Cb 0.19 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 41.83 1n1b h LEU 304 CO -0.01 0.85 -0.57 0.00 -1.08 0.00 0.00 178.44 177.64 1n1b h PHE 306 N -0.85 -0.12 -0.72 0.00 -1.00 -1.89 -1.01 116.94 111.35 1n1b h PHE 306 Ca -0.50 0.01 0.15 0.00 2.81 0.00 0.00 57.97 60.43 1n1b h PHE 306 Cb 1.35 0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.93 1n1b h PHE 306 CO 0.56 -0.08 0.49 -1.35 -1.61 0.00 0.00 178.31 176.31 1n1b h PRO 307 N -0.08 0.34 -0.00 1.51 0.11 -1.92 1.20 132.00 133.17 1n1b h PRO 307 Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1n1b h PRO 307 Cb 0.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1n1b h PRO 307 CO -0.08 0.22 -0.04 1.49 -0.21 0.00 0.00 178.00 179.38 1n1b h GLU 308 N 0.35 0.03 0.00 1.05 4.81 -1.82 -3.04 114.58 115.97 1n1b h GLU 308 Ca 0.35 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1n1b h GLU 308 Cb 0.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1n1b h GLU 308 CO -0.10 0.74 -0.64 0.87 -0.73 0.00 0.00 179.01 179.16 1n1b h LYS 309 N -0.66 0.00 -2.53 1.92 1.79 -0.76 -3.36 116.57 112.96 1n1b h LYS 309 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.86 1n1b h LYS 309 Cb 0.75 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.99 1n1b h LYS 309 CO 0.01 0.58 -0.66 1.28 -1.08 0.00 0.00 179.45 179.57 1n1b n LEU 310 N -3.23 2.81 0.00 2.94 4.32 0.41 -4.93 117.00 119.32 1n1b n LEU 310 Ca 0.01 -5.20 0.04 0.00 -0.02 0.00 0.00 56.01 50.84 1n1b n LEU 310 Cb 0.78 -0.48 0.22 0.00 -1.62 0.00 0.00 43.42 42.31 1n1b n LEU 310 CO 0.42 1.93 0.57 -0.81 -1.22 0.00 0.00 177.39 178.28 1n1b n PRO 311 N 1.48 0.12 -0.24 3.23 -0.04 -1.15 -2.23 135.00 136.18 1n1b n PRO 311 Ca 0.25 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1n1b n PRO 311 Cb 0.40 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.60 1n1b n PRO 311 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1n1b n PHE 312 N -1.28 0.64 -4.12 0.54 1.16 -1.26 -4.97 117.46 108.16 1n1b n PHE 312 Ca 0.04 -0.34 -0.30 0.00 -1.87 0.00 0.00 57.45 54.98 1n1b n PHE 312 Cb 0.07 -0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.86 1n1b n PHE 312 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1n1b s VAL 313 N -1.27 4.09 0.08 1.97 0.11 -0.94 -5.02 120.40 119.42 1n1b s VAL 313 Ca 0.40 -0.98 -0.31 0.00 -2.93 0.00 0.00 61.98 58.16 1n1b s VAL 313 Cb 0.22 -2.96 -0.07 0.00 -1.53 0.00 0.00 36.38 32.04 1n1b s VAL 313 CO 0.30 0.10 1.44 -0.13 -3.33 0.00 0.00 175.10 173.48 1n1b s ARG 314 N -2.38 4.29 -0.75 1.54 0.52 -1.26 -4.94 118.95 115.96 1n1b s ARG 314 Ca 0.27 2.09 -0.11 0.00 -0.52 0.00 0.00 55.73 57.46 1n1b s ARG 314 Cb -0.12 -3.38 0.20 0.00 0.52 0.00 0.00 34.95 32.17 1n1b s ARG 314 CO 0.19 -0.52 0.65 0.34 0.02 0.00 0.00 175.30 175.98 1n1b s ASP 315 N 1.49 6.25 -0.50 0.23 2.15 -1.26 -4.69 116.67 120.34 1n1b s ASP 315 Ca 0.66 -2.71 0.06 0.00 0.43 0.00 0.00 52.55 50.99 1n1b s ASP 315 Cb -0.36 -2.10 0.38 0.00 -0.30 0.00 0.00 42.92 40.54 1n1b s ASP 315 CO 0.29 -0.52 1.00 0.54 -0.17 0.00 0.00 175.17 176.32 1n1b n ARG 316 N 3.87 3.10 0.02 4.34 1.74 -1.26 -4.88 116.66 123.59 1n1b n ARG 316 Ca 0.11 -4.57 -0.12 0.00 -0.77 0.00 0.00 57.85 52.50 1n1b n ARG 316 Cb 0.44 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 29.64 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 2.82 0.03 -0.44 0.55 5.85 -1.94 -1.19 115.31 120.99 1n1b h LEU 317 Ca 0.19 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1n1b h LEU 317 Cb 0.73 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1n1b h LEU 317 CO 0.80 0.14 0.16 0.58 -0.34 0.00 0.00 178.44 179.77 1n1b h VAL 318 N -0.09 1.21 -0.87 1.05 2.07 -1.89 -0.76 116.25 116.97 1n1b h VAL 318 Ca 0.01 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1n1b h VAL 318 Cb 0.12 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1n1b h VAL 318 CO -0.00 0.25 0.53 -0.33 0.02 0.00 0.00 177.57 178.04 1n1b h GLU 319 N 0.57 1.18 -0.65 1.57 3.07 -1.93 -0.17 114.58 118.21 1n1b h GLU 319 Ca 0.14 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1n1b h GLU 319 Cb 0.23 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1n1b h GLU 319 CO -0.01 0.82 0.23 0.77 -1.40 0.00 0.00 179.01 179.42 1n1b h SER 320 N 1.19 0.93 -0.13 1.42 0.02 -0.94 -1.87 113.55 114.16 1n1b h SER 320 Ca 0.31 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1n1b h SER 320 Cb -0.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1n1b h SER 320 CO -0.06 0.87 -0.16 0.15 -1.14 0.00 0.00 176.83 176.49 1n1b h PHE 321 N 0.93 0.56 -0.56 3.45 3.57 -0.60 -2.16 116.94 122.13 1n1b h PHE 321 Ca 0.21 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n1b h PHE 321 Cb 0.25 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1n1b h PHE 321 CO 0.02 0.65 0.36 0.35 -2.23 0.00 0.00 178.31 177.46 1n1b h PHE 322 N 0.47 0.72 -0.45 0.41 3.57 -0.51 0.28 116.94 121.44 1n1b h PHE 322 Ca 0.08 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1n1b h PHE 322 Cb 0.55 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1n1b h PHE 322 CO 0.02 0.47 0.24 -1.49 -2.23 0.00 0.00 178.31 175.32 1n1b h TRP 323 N 0.76 0.45 -0.89 0.41 4.06 -0.92 -1.82 115.95 118.02 1n1b h TRP 323 Ca 0.20 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1n1b h TRP 323 Cb -0.06 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 27.92 1n1b h TRP 323 CO -0.03 0.25 0.55 0.00 -3.56 0.00 0.00 178.44 175.65 1n1b h ALA 324 N 1.22 1.31 -0.74 1.49 0.00 -0.78 -0.17 119.26 121.59 1n1b h ALA 324 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n1b h ALA 324 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1n1b h ALA 324 CO -0.11 0.61 0.29 0.28 0.00 0.00 0.00 179.25 180.32 1n1b h VAL 325 N 1.21 1.25 -0.39 0.00 2.07 -0.46 -1.20 116.25 118.73 1n1b h VAL 325 Ca 0.32 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 1n1b h VAL 325 Cb -0.09 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1n1b h VAL 325 CO -0.06 0.32 -0.28 1.23 0.02 0.00 0.00 177.57 178.80 1n1b h GLY 326 N 1.12 0.90 0.79 2.17 0.00 -0.52 -3.32 103.07 104.20 1n1b h GLY 326 Ca 0.25 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1n1b h GLY 326 CO -0.02 0.74 -0.19 -0.33 0.00 0.00 0.00 176.54 176.74 1n1b h MET 327 N 0.70 -0.51 -4.21 4.80 2.86 -0.50 -3.40 114.93 114.67 1n1b h MET 327 Ca 0.08 0.03 -0.71 0.00 -2.06 0.00 0.00 59.70 57.05 1n1b h MET 327 Cb 0.82 0.12 -0.33 0.00 0.06 0.00 0.00 31.60 32.26 1n1b h MET 327 CO 0.07 -0.23 -0.44 -0.06 1.06 0.00 0.00 176.91 177.31 1n1b s PHE 328 N -5.18 3.51 0.01 -0.22 0.40 -0.50 -3.96 117.98 112.04 1n1b s PHE 328 Ca -0.15 -2.32 -0.20 0.00 -0.60 0.00 0.00 56.93 53.66 1n1b s PHE 328 Cb 0.03 -3.32 -0.21 0.00 0.51 0.00 0.00 43.02 40.04 1n1b s PHE 328 CO 0.57 -0.95 1.16 0.93 0.70 0.00 0.00 175.22 177.63 1n1b h GLU 329 N 7.92 0.41 -6.36 0.44 5.08 -1.78 -3.44 114.58 116.84 1n1b h GLU 329 Ca -0.12 -0.37 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 1n1b h GLU 329 Cb 1.03 0.09 0.08 0.00 0.50 0.00 0.00 28.75 30.45 1n1b h GLU 329 CO 0.75 1.02 0.34 -2.30 -1.00 0.00 0.00 179.01 177.82 1n1b n PRO 330 N -4.30 1.29 -0.31 2.33 -0.02 -1.26 -4.84 135.00 127.88 1n1b n PRO 330 Ca -0.09 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1n1b n PRO 330 Cb 0.59 -2.00 0.33 0.00 -0.02 0.00 0.00 33.50 32.40 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 3.66 0.96 0.00 6.00 2.76 -2.00 -1.84 115.15 124.68 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 1.33 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1n1b h HIS 331 CO 0.55 0.34 0.00 0.00 -1.30 0.00 0.00 177.93 177.52 1n1b n GLN 332 N -4.61 0.66 -1.42 5.26 0.00 -1.26 -3.98 117.38 112.03 1n1b n GLN 332 Ca 0.19 0.02 -0.32 0.00 0.00 0.00 0.00 57.00 56.88 1n1b n GLN 332 Cb 0.45 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.24 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 -1.09 2.75 -0.10 2.61 8.25 -0.69 -4.61 115.22 122.34 1n1b n HIS 333 Ca 0.17 -2.59 -0.05 0.00 -0.26 0.00 0.00 57.72 54.99 1n1b n HIS 333 Cb 0.12 -1.31 0.15 0.00 1.12 0.00 0.00 29.99 30.07 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 2.50 0.83 0.99 -1.41 0.00 -1.81 -1.69 103.07 102.48 1n1b h GLY 334 Ca 0.53 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1n1b h GLY 334 CO 1.36 0.55 0.25 -1.82 0.00 0.00 0.00 176.54 176.87 1n1b h TYR 335 N 0.71 0.86 -0.70 5.60 3.20 -1.95 -1.33 116.97 123.36 1n1b h TYR 335 Ca 0.13 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1n1b h TYR 335 Cb 0.53 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1n1b h TYR 335 CO 0.03 0.68 0.30 1.96 -1.64 0.00 0.00 178.16 179.48 1n1b h GLN 336 N 0.79 1.03 -0.52 1.82 7.50 -1.87 -0.13 115.11 123.73 1n1b h GLN 336 Ca 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1n1b h GLN 336 Cb 0.17 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 1n1b h GLN 336 CO -0.02 0.84 0.31 0.00 -1.50 0.00 0.00 178.83 178.46 1n1b h ARG 337 N 0.99 0.71 -0.57 1.46 3.08 -0.95 -0.38 114.38 118.71 1n1b h ARG 337 Ca 0.23 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1n1b h ARG 337 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1n1b h ARG 337 CO -0.02 0.53 -0.02 0.87 -1.07 0.00 0.00 179.97 180.25 1n1b h LYS 338 N 0.70 1.00 -0.29 0.04 1.57 -0.90 -0.62 116.57 118.07 1n1b h LYS 338 Ca 0.19 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1n1b h LYS 338 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1n1b h LYS 338 CO -0.03 1.00 0.05 1.98 -0.57 0.00 0.00 179.45 181.88 1n1b h MET 339 N 0.92 0.48 -0.54 3.15 4.05 -0.75 -1.60 114.93 120.63 1n1b h MET 339 Ca 0.16 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1n1b h MET 339 Cb 0.56 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 1n1b h MET 339 CO 0.03 0.58 0.21 0.00 0.23 0.00 0.00 176.91 177.96 1n1b h ALA 340 N 0.88 0.71 -0.87 0.39 0.00 -0.95 -1.53 119.26 117.89 1n1b h ALA 340 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n1b h ALA 340 Cb 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1n1b h ALA 340 CO 0.00 0.33 0.54 0.00 0.00 0.00 0.00 179.25 180.13 1n1b h ALA 341 N 1.06 1.11 -0.02 0.00 0.00 -1.03 -0.75 119.26 119.63 1n1b h ALA 341 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n1b h ALA 341 Cb 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n1b h ALA 341 CO -0.01 0.55 0.01 1.15 0.00 0.00 0.00 179.25 180.95 1n1b h THR 342 N 1.20 1.13 -0.77 0.00 2.02 -0.97 -0.81 112.91 114.70 1n1b h THR 342 Ca 0.32 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1n1b h THR 342 Cb -0.08 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1n1b h THR 342 CO -0.06 0.10 0.32 0.40 0.37 0.00 0.00 175.52 176.65 1n1b h ILE 343 N -0.13 1.25 -0.36 3.11 2.04 -1.09 -1.52 117.51 120.81 1n1b h ILE 343 Ca 0.01 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1n1b h ILE 343 Cb 0.16 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1n1b h ILE 343 CO -0.00 0.32 0.16 0.40 0.00 0.00 0.00 178.15 179.02 1n1b h ILE 344 N 1.10 1.18 -0.39 -0.67 2.04 -1.00 0.11 117.51 119.88 1n1b h ILE 344 Ca 0.26 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 1n1b h ILE 344 Cb 0.19 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1n1b h ILE 344 CO -0.02 0.19 -0.15 1.62 0.00 0.00 0.00 178.15 179.79 1n1b h VAL 345 N 0.44 1.26 -0.32 1.67 3.04 -0.93 -1.22 116.25 120.19 1n1b h VAL 345 Ca 0.12 -1.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.47 1n1b h VAL 345 Cb 0.16 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1n1b h VAL 345 CO -0.01 0.40 -0.32 -0.07 -1.01 0.00 0.00 177.57 176.56 1n1b h LEU 346 N 0.64 0.84 -1.38 3.16 3.38 -1.09 -2.90 115.31 117.96 1n1b h LEU 346 Ca 0.10 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1n1b h LEU 346 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1n1b h LEU 346 CO 0.04 1.14 0.11 0.00 0.09 0.00 0.00 178.44 179.82 1n1b h ALA 347 N 0.73 1.51 -0.68 1.53 0.00 -0.56 -1.20 119.26 120.58 1n1b h ALA 347 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n1b h ALA 347 Cb 0.90 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1n1b h ALA 347 CO 0.08 0.37 0.42 1.15 0.00 0.00 0.00 179.25 181.27 1n1b h THR 348 N 0.52 1.19 -0.11 0.00 2.02 -1.03 0.13 112.91 115.63 1n1b h THR 348 Ca 0.13 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1n1b h THR 348 Cb 0.16 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1n1b h THR 348 CO -0.01 0.20 -0.09 0.58 0.37 0.00 0.00 175.52 176.57 1n1b h VAL 349 N 0.93 1.35 -0.74 3.16 2.07 -1.23 -2.54 116.25 119.25 1n1b h VAL 349 Ca 0.25 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1n1b h VAL 349 Cb -0.05 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1n1b h VAL 349 CO -0.05 0.34 0.44 0.40 0.02 0.00 0.00 177.57 178.72 1n1b h ILE 350 N -0.14 1.21 -0.72 4.57 2.04 -1.08 -1.75 117.51 121.64 1n1b h ILE 350 Ca 0.02 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.47 1n1b h ILE 350 Cb 0.58 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1n1b h ILE 350 CO 0.02 0.22 0.42 -0.78 0.00 0.00 0.00 178.15 178.03 1n1b h ASP 351 N 1.01 0.63 -0.47 1.72 3.58 -0.74 -1.71 116.42 120.43 1n1b h ASP 351 Ca 0.26 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 1n1b h ASP 351 Cb -0.02 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1n1b h ASP 351 CO -0.05 0.40 0.05 0.44 -2.88 0.00 0.00 179.24 177.21 1n1b h ASP 352 N 0.76 0.82 -0.73 2.28 3.32 -0.95 -0.20 116.42 121.72 1n1b h ASP 352 Ca 0.32 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1n1b h ASP 352 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1n1b h ASP 352 CO -0.18 0.85 0.28 0.40 -1.72 0.00 0.00 179.24 178.87 1n1b h ILE 353 N 0.81 1.25 0.06 0.35 2.04 -0.49 -0.98 117.51 120.55 1n1b h ILE 353 Ca 0.16 -0.81 -0.26 0.00 1.00 0.00 0.00 64.86 64.95 1n1b h ILE 353 Cb 0.41 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1n1b h ILE 353 CO 0.01 0.33 -1.10 1.88 0.00 0.00 0.00 178.15 179.27 1n1b h TYR 354 N 1.08 0.77 -0.04 1.37 -1.99 -1.08 0.20 116.97 117.28 1n1b h TYR 354 Ca 0.25 -0.46 -0.24 0.00 2.00 0.00 0.00 58.73 60.28 1n1b h TYR 354 Cb 0.23 -0.07 0.02 0.00 2.00 0.00 0.00 36.73 38.90 1n1b h TYR 354 CO 0.02 1.31 -0.91 -0.44 -0.00 0.00 0.00 178.16 178.14 1n1b h ASP 355 N 0.24 0.86 0.00 3.88 3.45 -0.91 -3.44 116.42 120.49 1n1b h ASP 355 Ca -0.13 -0.71 0.00 0.00 0.43 0.00 0.00 57.03 56.62 1n1b h ASP 355 Cb 1.77 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.27 1n1b h ASP 355 CO 0.20 1.46 -0.68 0.55 -1.57 0.00 0.00 179.24 179.20 1n1b n VAL 356 N -3.94 0.00 -0.04 -1.35 3.14 -0.39 -4.97 118.33 110.78 1n1b n VAL 356 Ca -0.10 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.08 1n1b n VAL 356 Cb 0.82 -0.39 -0.13 0.00 -1.06 0.00 0.00 33.84 33.08 1n1b n VAL 356 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1n1b h TYR 357 N 0.00 0.22 -4.11 1.45 3.20 -1.52 -3.48 116.97 112.72 1n1b h TYR 357 Ca 0.00 -0.16 -0.48 0.00 3.14 0.00 0.00 58.73 61.23 1n1b h TYR 357 Cb 0.68 -0.01 0.04 0.00 1.54 0.00 0.00 36.73 38.97 1n1b h TYR 357 CO 0.00 1.42 0.38 0.20 -1.64 0.00 0.00 178.16 178.52 1n1b s GLY 358 N -4.78 2.38 0.38 1.82 0.00 0.70 -5.05 107.32 102.76 1n1b s GLY 358 Ca -0.22 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 1n1b s GLY 358 CO 0.70 0.84 0.65 -0.51 0.00 0.00 0.00 173.10 174.78 1n1b s THR 359 N -2.15 4.99 0.26 0.90 -4.23 -1.26 -4.90 115.64 109.25 1n1b s THR 359 Ca 0.66 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1n1b s THR 359 Cb -0.16 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.11 1n1b s THR 359 CO 0.25 -0.57 1.80 0.25 -0.54 0.00 0.00 174.62 175.81 1n1b h LEU 360 N 0.93 0.70 -0.72 4.79 5.85 -1.96 -0.45 115.31 124.45 1n1b h LEU 360 Ca -0.48 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1n1b h LEU 360 Cb 1.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1n1b h LEU 360 CO 0.63 0.36 0.20 0.44 -0.34 0.00 0.00 178.44 179.74 1n1b h ASP 361 N 0.80 1.07 -0.36 1.25 3.32 -2.00 -0.96 116.42 119.54 1n1b h ASP 361 Ca 0.45 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1n1b h ASP 361 Cb 0.49 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1n1b h ASP 361 CO -0.29 1.01 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.64 1n1b h GLU 362 N 1.07 0.88 -0.00 3.56 5.08 -1.76 -2.84 114.58 120.57 1n1b h GLU 362 Ca 0.23 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1n1b h GLU 362 Cb 0.34 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1n1b h GLU 362 CO -0.00 1.04 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.68 1n1b h LEU 363 N 0.75 0.00 -0.42 1.33 3.38 -0.77 -0.19 115.31 119.40 1n1b h LEU 363 Ca 0.09 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1n1b h LEU 363 Cb 0.83 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1n1b h LEU 363 CO 0.07 0.30 -0.19 -0.08 0.09 0.00 0.00 178.44 178.64 1n1b h GLU 364 N 0.00 0.86 -0.40 1.13 4.81 -0.96 -0.47 114.58 119.55 1n1b h GLU 364 Ca -0.00 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.70 1n1b h GLU 364 Cb 0.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1n1b h GLU 364 CO 0.04 1.01 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.91 1n1b h LEU 365 N 0.68 1.00 -0.10 1.64 3.38 -1.23 -1.54 115.31 119.14 1n1b h LEU 365 Ca 0.09 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1n1b h LEU 365 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n1b h LEU 365 CO 0.06 1.24 0.03 0.15 0.09 0.00 0.00 178.44 180.01 1n1b h PHE 366 N 0.78 0.06 -0.71 1.13 3.57 -0.94 0.06 116.94 120.90 1n1b h PHE 366 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1n1b h PHE 366 Cb 0.95 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1n1b h PHE 366 CO 0.06 0.03 0.45 1.15 -2.23 0.00 0.00 178.31 177.77 1n1b h THR 367 N 0.09 1.19 -0.64 4.41 2.02 -1.00 -2.47 112.91 116.50 1n1b h THR 367 Ca 0.04 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1n1b h THR 367 Cb 0.02 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1n1b h THR 367 CO -0.05 0.19 0.19 -0.78 0.37 0.00 0.00 175.52 175.45 1n1b h ASP 368 N 0.96 0.92 -0.59 4.18 1.82 -0.84 -2.05 116.42 120.82 1n1b h ASP 368 Ca 0.26 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1n1b h ASP 368 Cb -0.07 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.67 1n1b h ASP 368 CO -0.05 0.87 0.26 0.74 -1.61 0.00 0.00 179.24 179.45 1n1b h THR 369 N 0.95 1.22 -0.63 2.25 2.02 -0.60 -0.77 112.91 117.35 1n1b h THR 369 Ca 0.21 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1n1b h THR 369 Cb 0.29 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1n1b h THR 369 CO -0.01 0.25 0.31 -0.26 0.37 0.00 0.00 175.52 176.19 1n1b h PHE 370 N 0.80 0.90 -0.77 3.16 -1.00 -1.16 0.17 116.94 119.04 1n1b h PHE 370 Ca 0.20 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 1n1b h PHE 370 Cb 0.15 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.40 1n1b h PHE 370 CO 0.00 0.67 0.34 0.87 -1.61 0.00 0.00 178.31 178.58 1n1b h LYS 371 N 0.86 1.13 0.00 1.51 1.57 -0.97 -2.77 116.57 117.90 1n1b h LYS 371 Ca 0.22 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 1n1b h LYS 371 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1n1b h LYS 371 CO -0.03 0.89 -0.87 0.00 -0.57 0.00 0.00 179.45 178.88 1n1b h ARG 372 N 1.11 0.16 -6.42 3.15 3.08 -0.91 -3.47 114.38 111.09 1n1b h ARG 372 Ca 0.26 -0.18 -0.49 0.00 0.07 0.00 0.00 59.98 59.64 1n1b h ARG 372 Cb 0.16 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1n1b h ARG 372 CO -0.03 0.93 -0.80 1.87 -1.07 0.00 0.00 179.97 180.87 1n1b n TRP 373 N -3.64 -2.04 -3.24 3.04 -0.00 0.59 -4.95 117.44 107.19 1n1b n TRP 373 Ca -0.03 0.85 -0.00 0.00 -0.00 0.00 0.00 57.50 58.32 1n1b n TRP 373 Cb 0.80 -3.74 0.00 0.00 -0.00 0.00 0.00 31.31 28.38 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 -2.83 0.50 0.00 5.87 5.75 -1.26 -5.06 116.55 119.52 1n1b n ASP 374 Ca -0.03 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1n1b n ASP 374 Cb 0.55 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.78 0.88 -0.04 2.12 -2.24 -1.26 -4.80 114.28 108.16 1n1b n THR 375 Ca 0.00 -0.89 -0.05 0.00 -2.27 0.00 0.00 64.05 60.84 1n1b n THR 375 Cb 0.01 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.44 0.37 0.31 -0.78 1.02 -1.26 -4.62 120.64 115.24 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 0.27 -1.16 0.99 0.00 -0.02 0.00 0.00 31.44 31.52 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 -0.86 1.62 4.64 -1.98 -2.72 113.55 114.26 1n1b h SER 377 Ca -0.17 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.31 1n1b h SER 377 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1n1b h SER 377 CO -0.02 0.01 0.56 -0.29 -0.87 0.00 0.00 176.83 176.22 1n1b h ILE 378 N 0.00 0.78 -0.69 0.95 2.10 -1.87 -1.94 117.51 116.84 1n1b h ILE 378 Ca -0.00 -0.19 0.17 0.00 1.08 0.00 0.00 64.86 65.92 1n1b h ILE 378 Cb 0.21 0.19 -0.04 0.00 -1.09 0.00 0.00 36.82 36.09 1n1b h ILE 378 CO 0.00 0.10 0.48 0.74 -1.08 0.00 0.00 178.15 178.39 1n1b h THR 379 N 0.55 0.73 -0.00 2.19 2.02 -1.80 -1.41 112.91 115.19 1n1b h THR 379 Ca 0.43 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1n1b h THR 379 Cb 0.86 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1n1b h THR 379 CO -0.18 0.04 -0.06 0.54 0.37 0.00 0.00 175.52 176.23 1n1b n ARG 380 N -4.42 0.15 -2.80 6.66 1.74 -0.73 -4.88 116.66 112.38 1n1b n ARG 380 Ca 0.13 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 1n1b n ARG 380 Cb 0.63 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.86 3.81 0.69 0.55 1.43 -0.53 -5.04 118.68 116.72 1n1b s LEU 381 Ca 0.18 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 1n1b s LEU 381 Cb 0.19 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1n1b s LEU 381 CO 0.53 -0.42 1.14 -2.16 0.23 0.00 0.00 176.35 175.67 1n1b s PRO 382 N -3.85 2.54 0.19 1.29 0.04 -1.26 -4.72 135.00 129.24 1n1b s PRO 382 Ca 0.52 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1n1b s PRO 382 Cb -0.10 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.69 1n1b s PRO 382 CO 0.31 -1.47 1.60 -0.92 0.04 0.00 0.00 177.00 176.56 1n1b h TYR 383 N -0.14 -0.68 0.00 0.56 3.20 -1.96 -1.51 116.97 116.44 1n1b h TYR 383 Ca -0.47 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 1n1b h TYR 383 Cb 1.26 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.92 1n1b h TYR 383 CO 0.52 -0.34 -0.03 0.10 -1.64 0.00 0.00 178.16 176.77 1n1b h TYR 384 N -0.12 0.00 0.03 -3.82 -0.00 -1.91 -0.49 116.97 110.66 1n1b h TYR 384 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.76 1n1b h TYR 384 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 1n1b h TYR 384 CO -0.57 0.03 -1.00 0.52 -0.00 0.00 0.00 178.16 177.14 1n1b h MET 385 N 0.00 0.17 -0.45 0.10 2.86 -1.66 -1.67 114.93 114.27 1n1b h MET 385 Ca -0.00 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1n1b h MET 385 Cb 0.06 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1n1b h MET 385 CO 0.00 1.03 0.26 1.96 1.06 0.00 0.00 176.91 181.23 1n1b h GLN 386 N 0.08 0.62 -0.09 1.72 4.20 -0.26 -0.24 115.11 121.13 1n1b h GLN 386 Ca -0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1n1b h GLN 386 Cb 1.68 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.33 1n1b h GLN 386 CO 0.15 0.48 0.02 1.25 -0.67 0.00 0.00 178.83 180.06 1n1b h LEU 387 N 0.60 0.14 -0.17 1.46 5.85 -1.29 -1.53 115.31 120.37 1n1b h LEU 387 Ca 0.16 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1n1b h LEU 387 Cb 0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1n1b h LEU 387 CO -0.03 0.34 0.09 0.00 -0.34 0.00 0.00 178.44 178.50 1n1b h TYR 389 N 0.20 0.23 -0.37 0.00 3.20 -1.00 -2.05 116.97 117.18 1n1b h TYR 389 Ca 0.07 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 1n1b h TYR 389 Cb 0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1n1b h TYR 389 CO -0.08 0.15 -0.18 2.35 -1.64 0.00 0.00 178.16 178.75 1n1b h TRP 390 N 0.25 0.77 -0.68 -3.82 -0.00 -1.17 -0.03 115.95 111.28 1n1b h TRP 390 Ca 0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.89 58.78 1n1b h TRP 390 Cb -0.02 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 28.91 1n1b h TRP 390 CO -0.07 0.83 0.32 0.78 -0.00 0.00 0.00 178.44 180.30 1n1b h GLY 391 N 0.98 1.06 0.91 2.65 0.00 -0.90 -0.48 103.07 107.29 1n1b h GLY 391 Ca 0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1n1b h GLY 391 CO 0.05 0.51 -0.14 -2.08 0.00 0.00 0.00 176.54 174.88 1n1b h VAL 392 N 0.95 1.29 -0.64 4.60 2.07 -1.10 -1.93 116.25 121.49 1n1b h VAL 392 Ca 0.23 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1n1b h VAL 392 Cb 0.13 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1n1b h VAL 392 CO -0.03 0.39 0.31 -0.74 0.02 0.00 0.00 177.57 177.52 1n1b h HIS 393 N 0.37 0.56 -0.47 1.57 6.17 -0.80 -1.17 115.15 121.38 1n1b h HIS 393 Ca 0.07 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.07 1n1b h HIS 393 Cb 0.65 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.41 1n1b h HIS 393 CO 0.06 0.22 -0.12 -0.91 0.71 0.00 0.00 177.93 177.89 1n1b h ASN 394 N 0.56 0.93 -0.29 3.26 2.35 -0.95 -1.74 115.58 119.68 1n1b h ASN 394 Ca 0.30 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1n1b h ASN 394 Cb 0.28 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1n1b h ASN 394 CO -0.23 1.07 0.11 0.22 -1.65 0.00 0.00 177.43 176.95 1n1b h TYR 395 N 0.76 0.45 -0.83 1.19 3.20 -0.94 -0.15 116.97 120.66 1n1b h TYR 395 Ca 0.12 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1n1b h TYR 395 Cb 0.67 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1n1b h TYR 395 CO 0.05 0.45 0.55 0.82 -1.64 0.00 0.00 178.16 178.39 1n1b h ILE 396 N 0.32 1.17 -0.36 1.81 1.08 -1.17 -0.08 117.51 120.28 1n1b h ILE 396 Ca 0.10 -0.37 -0.12 0.00 -0.39 0.00 0.00 64.86 64.08 1n1b h ILE 396 Cb 0.20 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 1n1b h ILE 396 CO -0.01 0.20 -0.26 0.28 -0.69 0.00 0.00 178.15 177.67 1n1b h SER 397 N 1.07 0.74 -0.36 1.72 0.02 -0.93 -1.63 113.55 114.18 1n1b h SER 397 Ca 0.32 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1n1b h SER 397 Cb -0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1n1b h SER 397 CO -0.08 0.97 0.02 0.44 -1.14 0.00 0.00 176.83 177.03 1n1b h ASP 398 N 0.63 0.61 -0.54 3.07 3.32 -0.11 -1.66 116.42 121.73 1n1b h ASP 398 Ca 0.08 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1n1b h ASP 398 Cb 0.76 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1n1b h ASP 398 CO 0.06 0.75 0.35 0.00 -1.72 0.00 0.00 179.24 178.68 1n1b h ALA 399 N 0.88 0.69 -0.62 3.45 0.00 -0.89 -1.07 119.26 121.69 1n1b h ALA 399 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 399 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1n1b h ALA 399 CO 0.01 0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.81 1n1b h ALA 400 N 1.19 1.58 -0.03 0.00 0.00 -1.13 -1.76 119.26 119.12 1n1b h ALA 400 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n1b h ALA 400 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1n1b h ALA 400 CO -0.04 0.38 0.01 -0.92 0.00 0.00 0.00 179.25 178.67 1n1b h TYR 401 N 0.81 0.04 -0.60 0.00 3.20 -0.29 -1.18 116.97 118.96 1n1b h TYR 401 Ca 0.23 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1n1b h TYR 401 Cb -0.06 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 1n1b h TYR 401 CO -0.00 0.27 0.29 -0.44 -1.64 0.00 0.00 178.16 176.64 1n1b h ASP 402 N -0.20 0.39 -0.33 -2.11 3.32 -0.73 0.55 116.42 117.31 1n1b h ASP 402 Ca 0.01 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1n1b h ASP 402 Cb 0.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1n1b h ASP 402 CO 0.00 0.25 -0.17 0.40 -1.72 0.00 0.00 179.24 178.00 1n1b h ILE 403 N 0.53 1.27 -0.45 0.35 2.04 -1.31 0.13 117.51 120.07 1n1b h ILE 403 Ca 0.28 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1n1b h ILE 403 Cb 0.24 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1n1b h ILE 403 CO -0.21 0.43 0.08 0.25 0.00 0.00 0.00 178.15 178.70 1n1b h LEU 404 N 0.70 0.71 -0.06 1.44 5.85 -0.52 0.77 115.31 124.20 1n1b h LEU 404 Ca 0.11 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1n1b h LEU 404 Cb 0.67 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1n1b h LEU 404 CO 0.05 0.78 0.01 0.50 -0.34 0.00 0.00 178.44 179.44 1n1b h LYS 405 N 0.61 0.10 0.03 1.25 3.11 -0.65 0.02 116.57 121.04 1n1b h LYS 405 Ca 0.14 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.77 1n1b h LYS 405 Cb 0.37 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.60 1n1b h LYS 405 CO 0.01 0.32 -0.73 0.93 -2.81 0.00 0.00 179.45 177.16 1n1b h GLU 406 N -0.13 0.44 -0.03 1.90 4.39 -0.96 -3.38 114.58 116.80 1n1b h GLU 406 Ca 0.02 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1n1b h GLU 406 Cb 0.26 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1n1b h GLU 406 CO 0.00 1.17 0.00 0.72 -1.16 0.00 0.00 179.01 179.74 1n1b n HIS 407 N -4.13 0.03 -2.03 4.33 8.25 0.25 -5.01 115.22 116.91 1n1b n HIS 407 Ca -0.11 -0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 1n1b n HIS 407 Cb 0.74 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 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 0.58 0.40 3.12 -1.41 0.00 -0.01 -4.98 105.19 102.88 1n1b n GLY 408 Ca 0.06 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.78 1.43 -0.42 1.61 5.36 -1.25 -4.99 117.98 116.94 1n1b s PHE 409 Ca 0.00 -0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 55.51 1n1b s PHE 409 Cb 0.00 -0.95 0.05 0.00 -0.34 0.00 0.00 43.02 41.78 1n1b s PHE 409 CO 0.00 -0.08 0.30 0.12 -1.46 0.00 0.00 175.22 174.10 1n1b s PHE 410 N -0.16 3.25 -0.73 10.12 5.36 -1.26 -3.06 117.98 131.50 1n1b s PHE 410 Ca 0.02 -0.90 0.15 0.00 -0.96 0.00 0.00 56.93 55.24 1n1b s PHE 410 Cb -0.08 -2.78 0.54 0.00 -0.34 0.00 0.00 43.02 40.36 1n1b s PHE 410 CO 0.00 -0.70 1.46 0.00 -1.46 0.00 0.00 175.22 174.52 1n1b h LEU 412 N 2.75 -0.02 -1.58 0.00 5.85 -1.92 -0.29 115.31 120.10 1n1b h LEU 412 Ca 0.00 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.01 1n1b h LEU 412 Cb 1.26 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1n1b h LEU 412 CO 0.17 -0.10 0.46 0.06 -0.34 0.00 0.00 178.44 178.69 1n1b h GLN 413 N 0.24 0.43 0.21 1.25 3.07 -2.00 -0.12 115.11 118.18 1n1b h GLN 413 Ca 0.47 -0.03 -0.32 0.00 0.09 0.00 0.00 58.65 58.86 1n1b h GLN 413 Cb 0.88 -0.10 0.02 0.00 0.08 0.00 0.00 27.48 28.36 1n1b h GLN 413 CO -0.59 0.29 -1.48 1.88 0.09 0.00 0.00 178.83 179.03 1n1b h TYR 414 N 0.45 0.81 -0.75 0.06 -1.99 -1.45 -2.90 116.97 111.19 1n1b h TYR 414 Ca 0.33 -0.59 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 1n1b h TYR 414 Cb 0.66 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.32 1n1b h TYR 414 CO -0.00 1.51 0.44 -0.07 -0.00 0.00 0.00 178.16 180.04 1n1b h LEU 415 N 0.12 0.91 -0.80 3.88 3.38 -0.79 -1.37 115.31 120.62 1n1b h LEU 415 Ca -0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1n1b h LEU 415 Cb 2.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 1n1b h LEU 415 CO 0.24 0.71 0.34 0.03 0.09 0.00 0.00 178.44 179.85 1n1b h ARG 416 N 1.04 1.19 -0.57 1.13 3.08 -1.08 -2.36 114.38 116.82 1n1b h ARG 416 Ca 0.27 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1n1b h ARG 416 Cb -0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1n1b h ARG 416 CO -0.05 0.95 0.14 -0.22 -1.07 0.00 0.00 179.97 179.72 1n1b h LYS 417 N 1.16 0.88 -0.46 0.04 3.64 -1.08 0.14 116.57 120.88 1n1b h LYS 417 Ca 0.27 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1n1b h LYS 417 Cb 0.19 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1n1b h LYS 417 CO -0.03 0.79 0.24 0.77 -2.27 0.00 0.00 179.45 178.95 1n1b h SER 418 N 0.84 0.36 -0.12 4.20 0.02 -0.77 -0.35 113.55 117.74 1n1b h SER 418 Ca 0.18 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1n1b h SER 418 Cb 0.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1n1b h SER 418 CO -0.00 0.26 -0.25 0.58 -1.14 0.00 0.00 176.83 176.27 1n1b h VAL 419 N 0.48 1.38 -0.52 2.27 2.07 -1.13 -3.05 116.25 117.75 1n1b h VAL 419 Ca 0.20 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1n1b h VAL 419 Cb 0.09 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1n1b h VAL 419 CO -0.13 0.45 0.33 0.58 0.02 0.00 0.00 177.57 178.83 1n1b h VAL 420 N -0.05 1.14 -0.65 2.57 2.07 -0.54 -1.35 116.25 119.43 1n1b h VAL 420 Ca 0.00 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1n1b h VAL 420 Cb 0.85 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1n1b h VAL 420 CO 0.06 0.14 0.43 0.44 0.02 0.00 0.00 177.57 178.65 1n1b h ASP 421 N 0.70 0.75 0.10 0.57 3.32 -1.15 -0.23 116.42 120.49 1n1b h ASP 421 Ca 0.19 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1n1b h ASP 421 Cb -0.06 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1n1b h ASP 421 CO -0.04 0.55 -0.05 0.25 -1.72 0.00 0.00 179.24 178.23 1n1b h LEU 422 N 0.89 -0.12 -1.22 1.55 5.85 -1.26 -2.36 115.31 118.64 1n1b h LEU 422 Ca 0.24 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1n1b h LEU 422 Cb -0.10 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1n1b h LEU 422 CO -0.05 0.23 -0.38 -0.37 -0.34 0.00 0.00 178.44 177.52 1n1b h VAL 423 N -0.48 1.20 -0.21 1.05 -1.51 -1.03 -1.42 116.25 113.85 1n1b h VAL 423 Ca -0.01 -1.34 -0.12 0.00 -1.23 0.00 0.00 66.70 64.00 1n1b h VAL 423 Cb 0.39 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1n1b h VAL 423 CO 0.02 0.38 -0.36 -0.33 -1.23 0.00 0.00 177.57 176.05 1n1b h GLU 424 N 0.00 0.46 -0.46 5.19 5.08 -1.03 0.25 114.58 124.07 1n1b h GLU 424 Ca -0.00 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1n1b h GLU 424 Cb 0.71 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1n1b h GLU 424 CO 0.05 0.76 -0.24 0.00 -1.00 0.00 0.00 179.01 178.57 1n1b h ALA 425 N 1.23 0.70 -0.46 3.43 0.00 -0.86 -0.58 119.26 122.71 1n1b h ALA 425 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1n1b h ALA 425 Cb 0.81 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1n1b h ALA 425 CO 0.07 0.67 0.21 1.88 0.00 0.00 0.00 179.25 182.08 1n1b h TYR 426 N 0.82 0.68 -0.62 0.00 0.99 -0.93 -2.03 116.97 115.88 1n1b h TYR 426 Ca 0.10 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1n1b h TYR 426 Cb 0.82 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 38.31 1n1b h TYR 426 CO 0.05 0.56 0.14 0.35 -0.00 0.00 0.00 178.16 179.26 1n1b h PHE 427 N 0.60 1.02 -0.39 4.88 3.57 -0.75 -1.02 116.94 124.85 1n1b h PHE 427 Ca 0.16 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1n1b h PHE 427 Cb 0.14 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1n1b h PHE 427 CO -0.01 0.84 0.26 1.25 -2.23 0.00 0.00 178.31 178.42 1n1b h HIS 428 N 0.93 0.50 -0.31 0.41 2.76 -0.82 -0.88 115.15 117.74 1n1b h HIS 428 Ca 0.20 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1n1b h HIS 428 Cb 0.34 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1n1b h HIS 428 CO 0.02 0.32 -0.16 0.93 -1.30 0.00 0.00 177.93 177.74 1n1b h GLU 429 N 0.53 0.56 -0.62 5.26 5.08 -1.08 -2.32 114.58 121.98 1n1b h GLU 429 Ca 0.14 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1n1b h GLU 429 Cb -0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1n1b h GLU 429 CO -0.03 0.70 0.11 0.00 -1.00 0.00 0.00 179.01 178.79 1n1b h ALA 430 N 1.32 1.02 -0.55 3.43 0.00 -0.61 -0.11 119.26 123.76 1n1b h ALA 430 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1n1b h ALA 430 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1n1b h ALA 430 CO 0.04 0.63 0.15 0.87 0.00 0.00 0.00 179.25 180.94 1n1b h LYS 431 N 0.95 0.88 0.10 0.00 1.57 -0.87 0.22 116.57 119.42 1n1b h LYS 431 Ca 0.19 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n1b h LYS 431 Cb 0.40 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1n1b h LYS 431 CO 0.01 0.81 -0.06 -1.49 -0.57 0.00 0.00 179.45 178.15 1n1b h TRP 432 N 0.78 -0.15 -0.11 -1.35 6.55 -1.06 -2.26 115.95 118.35 1n1b h TRP 432 Ca 0.18 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.02 1n1b h TRP 432 Cb 0.32 0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 1n1b h TRP 432 CO 0.02 -0.09 0.05 -0.92 -1.05 0.00 0.00 178.44 176.44 1n1b h TYR 433 N -0.15 0.09 0.00 0.49 3.20 -0.76 -0.21 116.97 119.61 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 0.13 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1n1b h TYR 433 CO -0.08 0.05 -0.04 0.45 -1.64 0.00 0.00 178.16 176.90 1n1b h HIS 434 N 0.11 0.00 0.00 -3.82 3.86 -0.92 -2.22 115.15 112.16 1n1b h HIS 434 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1n1b h HIS 434 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1n1b h HIS 434 CO -0.09 0.04 -1.23 -1.13 0.86 0.00 0.00 177.93 176.37 1n1b n SER 435 N -3.23 0.56 0.00 2.45 3.41 -0.86 -4.96 113.62 110.98 1n1b n SER 435 Ca -0.01 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n1b n SER 435 Cb 0.21 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 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 1.28 0.65 3.74 5.00 0.00 -0.15 -5.04 105.19 110.68 1n1b n GLY 436 Ca -0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.58 -0.29 1.61 5.04 -0.82 -5.02 117.35 119.45 1n1b s TYR 437 Ca 0.00 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.23 1n1b s TYR 437 Cb 0.00 -3.29 0.04 0.00 0.35 0.00 0.00 41.96 39.07 1n1b s TYR 437 CO 0.00 -0.62 -0.02 0.99 -1.34 0.00 0.00 175.55 174.56 1n1b s THR 438 N -0.51 2.94 0.76 4.34 2.01 -1.26 -4.61 115.64 119.31 1n1b s THR 438 Ca 0.48 -1.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 1n1b s THR 438 Cb -0.30 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.61 1n1b s THR 438 CO 0.37 -0.04 1.08 -2.84 -0.69 0.00 0.00 174.62 172.50 1n1b s PRO 439 N 1.26 2.34 0.92 4.92 0.02 -1.26 -5.03 135.00 138.16 1n1b s PRO 439 Ca -0.04 1.07 -0.12 0.00 0.02 0.00 0.00 61.00 61.93 1n1b s PRO 439 Cb -0.19 -1.91 0.14 0.00 0.02 0.00 0.00 34.50 32.56 1n1b s PRO 439 CO -0.02 -1.56 1.11 -1.54 -0.33 0.00 0.00 177.00 174.66 1n1b s SER 440 N -3.51 3.35 0.11 2.53 1.04 -1.26 -4.74 113.70 111.22 1n1b s SER 440 Ca 0.61 1.21 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 1n1b s SER 440 Cb -0.16 -1.87 -0.09 0.00 0.10 0.00 0.00 66.02 64.00 1n1b s SER 440 CO 0.56 -2.68 1.73 0.25 0.98 0.00 0.00 173.24 174.08 1n1b h LEU 441 N -1.58 -0.04 -1.33 2.42 5.85 -1.94 -0.27 115.31 118.42 1n1b h LEU 441 Ca -0.51 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 1n1b h LEU 441 Cb 1.31 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1n1b h LEU 441 CO 0.58 -0.00 -0.01 0.44 -0.34 0.00 0.00 178.44 179.11 1n1b h ASP 442 N 0.03 0.40 -0.35 1.25 3.32 -1.97 0.13 116.42 119.23 1n1b h ASP 442 Ca 0.04 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1n1b h ASP 442 Cb 0.05 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1n1b h ASP 442 CO -0.08 0.48 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.48 1n1b h GLU 443 N 0.42 0.86 0.49 3.56 4.81 -1.84 -1.98 114.58 120.90 1n1b h GLU 443 Ca 0.09 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1n1b h GLU 443 Cb 0.29 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1n1b h GLU 443 CO 0.01 1.10 -0.23 -0.92 -0.73 0.00 0.00 179.01 178.24 1n1b h TYR 444 N 0.65 -0.61 -0.14 0.92 3.20 -0.54 -3.15 116.97 117.31 1n1b h TYR 444 Ca 0.05 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1n1b h TYR 444 Cb 0.96 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1n1b h TYR 444 CO 0.07 -0.31 0.09 -0.07 -1.64 0.00 0.00 178.16 176.30 1n1b h LEU 445 N -0.80 0.13 -1.68 2.82 3.38 -1.01 0.22 115.31 118.37 1n1b h LEU 445 Ca -0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n1b h LEU 445 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1n1b h LEU 445 CO 0.11 0.09 -0.01 -1.13 0.09 0.00 0.00 178.44 177.59 1n1b h ASN 446 N 0.15 0.16 0.05 -0.43 -1.24 -1.31 -1.39 115.58 111.58 1n1b h ASN 446 Ca 0.05 -0.02 -0.34 0.00 0.71 0.00 0.00 56.30 56.71 1n1b h ASN 446 Cb 0.03 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 1n1b h ASN 446 CO -0.01 0.21 -1.91 -0.38 -1.29 0.00 0.00 177.43 174.06 1n1b n ILE 447 N -4.41 1.63 0.29 2.57 2.08 -0.45 -4.38 119.36 116.68 1n1b n ILE 447 Ca -0.01 -0.41 0.14 0.00 0.56 0.00 0.00 62.75 63.04 1n1b n ILE 447 Cb 0.16 -1.81 0.88 0.00 -0.75 0.00 0.00 39.64 38.12 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 -0.26 1.61 0.00 -1.39 0.00 -0.52 -0.26 119.26 118.44 1n1b h ALA 448 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n1b h ALA 448 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1n1b h ALA 448 CO -0.10 -0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.49 1n1b n LYS 449 N -3.93 0.14 -0.13 0.00 2.85 -0.53 -1.70 118.16 114.86 1n1b n LYS 449 Ca -0.03 0.29 -0.21 0.00 -1.05 0.00 0.00 58.31 57.31 1n1b n LYS 449 Cb 0.10 -1.72 -0.11 0.00 -0.65 0.00 0.00 35.03 32.65 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 -1.97 1.41 0.30 0.58 2.08 -0.22 -4.37 119.36 117.17 1n1b n ILE 450 Ca 0.04 -0.47 0.18 0.00 0.56 0.00 0.00 62.75 63.06 1n1b n ILE 450 Cb 0.27 -1.55 0.83 0.00 -0.75 0.00 0.00 39.64 38.44 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 -0.35 0.00 0.70 4.38 4.64 -1.19 -1.20 113.55 120.53 1n1b h SER 451 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1n1b h SER 451 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1n1b h SER 451 CO -0.20 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.31 1n1b n VAL 452 N -2.98 0.71 -0.88 0.95 3.14 -0.69 -4.91 118.33 113.67 1n1b n VAL 452 Ca -0.00 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1n1b n VAL 452 Cb 0.22 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 -1.55 0.00 -0.19 1.55 0.00 -0.45 -4.95 120.51 114.92 1n1b n ALA 453 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1n1b n ALA 453 Cb 0.23 -0.03 0.09 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 0.17 -0.48 0.00 0.02 -1.79 -0.13 113.55 111.34 1n1b h SER 454 Ca 0.00 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1n1b h SER 454 Cb 0.00 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1n1b h SER 454 CO 0.00 0.11 0.06 -0.65 -1.14 0.00 0.00 176.83 175.21 1n1b h PRO 455 N 0.36 0.87 0.00 3.45 0.11 -1.80 -0.40 132.00 134.59 1n1b h PRO 455 Ca 0.28 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 1n1b h PRO 455 Cb 0.35 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1n1b h PRO 455 CO -0.30 0.83 -0.33 0.00 -0.21 0.00 0.00 178.00 178.00 1n1b h ALA 456 N 1.24 1.41 0.19 -0.75 0.00 -1.58 -1.26 119.26 118.50 1n1b h ALA 456 Ca 0.17 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 1n1b h ALA 456 Cb 0.41 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1n1b h ALA 456 CO 0.01 0.41 -1.48 0.82 0.00 0.00 0.00 179.25 179.02 1n1b h ILE 457 N 0.00 1.14 -0.02 0.00 2.04 -0.72 -3.38 117.51 116.56 1n1b h ILE 457 Ca -0.00 -2.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.25 1n1b h ILE 457 Cb 0.60 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1n1b h ILE 457 CO 0.04 0.80 -0.19 0.40 0.00 0.00 0.00 178.15 179.20 1n1b h ILE 458 N -0.02 1.50 -0.87 -0.67 2.04 -1.01 -3.36 117.51 115.11 1n1b h ILE 458 Ca -0.28 -1.76 0.11 0.00 1.00 0.00 0.00 64.86 63.93 1n1b h ILE 458 Cb 2.00 2.58 -0.08 0.00 -0.74 0.00 0.00 36.82 40.58 1n1b h ILE 458 CO 0.19 0.48 0.51 0.77 0.00 0.00 0.00 178.15 180.09 1n1b h SER 459 N -0.44 0.72 0.03 1.72 4.64 -1.43 -1.77 113.55 117.02 1n1b h SER 459 Ca -0.02 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1n1b h SER 459 Cb 0.89 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1n1b h SER 459 CO 0.04 0.39 -0.13 -0.65 -0.87 0.00 0.00 176.83 175.61 1n1b h PRO 460 N 0.82 0.21 0.00 4.77 0.11 -1.74 -2.52 132.00 133.65 1n1b h PRO 460 Ca 0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 1n1b h PRO 460 Cb 0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1n1b h PRO 460 CO -0.27 0.35 -0.08 1.79 -0.21 0.00 0.00 178.00 179.59 1n1b h THR 461 N 0.20 0.31 -0.55 -1.15 1.35 -1.47 -3.01 112.91 108.60 1n1b h THR 461 Ca 0.04 -0.50 0.11 0.00 -0.55 0.00 0.00 66.41 65.52 1n1b h THR 461 Cb 0.36 1.37 -0.09 0.00 -1.73 0.00 0.00 68.15 68.06 1n1b h THR 461 CO 0.02 0.08 -0.01 0.22 -0.25 0.00 0.00 175.52 175.58 1n1b h TYR 462 N 0.00 -0.05 0.00 4.73 3.20 -1.43 -1.27 116.97 122.15 1n1b h TYR 462 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1n1b h TYR 462 Cb 0.37 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1n1b h TYR 462 CO 0.00 -0.14 0.00 1.19 -1.64 0.00 0.00 178.16 177.57 1n1b n PHE 463 N -5.26 0.00 1.33 -3.82 3.01 -1.14 -2.93 117.46 108.65 1n1b n PHE 463 Ca 0.07 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.66 1n1b n PHE 463 Cb 0.30 -0.45 0.46 0.00 -0.01 0.00 0.00 39.48 39.78 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 -3.45 4.37 -2.24 -0.48 -4.86 114.28 106.17 1n1b n THR 464 Ca 0.04 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1n1b n THR 464 Cb 0.16 0.31 -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 -2.40 3.56 0.52 4.78 0.40 -1.15 -4.97 117.98 118.71 1n1b s PHE 465 Ca 0.28 0.81 0.20 0.00 -0.60 0.00 0.00 56.93 57.62 1n1b s PHE 465 Cb 0.20 -2.40 1.30 0.00 0.51 0.00 0.00 43.02 42.63 1n1b s PHE 465 CO 0.48 0.34 2.07 0.00 0.70 0.00 0.00 175.22 178.80 1n1b h ALA 466 N 6.11 2.22 -0.45 5.36 0.00 -1.91 -1.79 119.26 128.80 1n1b h ALA 466 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n1b h ALA 466 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1n1b h ALA 466 CO 0.71 -0.29 0.00 0.27 0.00 0.00 0.00 179.25 179.94 1n1b n ASN 467 N -4.46 2.72 -4.73 0.00 6.94 -1.26 -4.94 115.26 109.53 1n1b n ASN 467 Ca 0.04 -2.09 -0.41 0.00 -0.02 0.00 0.00 54.58 52.09 1n1b n ASN 467 Cb 0.33 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.49 3.40 0.44 -2.53 0.00 -0.68 -4.81 121.76 116.09 1n1b s ALA 468 Ca 0.32 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1n1b s ALA 468 Cb 0.18 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1n1b s ALA 468 CO 0.19 -0.33 1.11 0.45 0.00 0.00 0.00 175.76 177.19 1n1b s SER 469 N 0.29 6.39 0.00 0.00 0.15 -1.26 -4.94 113.70 114.34 1n1b s SER 469 Ca 0.53 2.17 0.19 0.00 0.70 0.00 0.00 55.95 59.55 1n1b s SER 469 Cb -0.31 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 61.75 1n1b s SER 469 CO 0.34 -0.76 1.28 1.41 1.20 0.00 0.00 173.24 176.71 1n1b n HIS 470 N -0.39 0.39 -2.22 3.44 8.25 -1.26 -4.82 115.22 118.61 1n1b n HIS 470 Ca 0.07 -0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1n1b n HIS 470 Cb 0.49 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.33 6.86 0.41 0.41 -1.08 -1.26 -4.92 116.67 115.76 1n1b s ASP 471 Ca 0.31 2.15 0.14 0.00 -0.52 0.00 0.00 52.55 54.63 1n1b s ASP 471 Cb 0.19 -2.57 1.00 0.00 -1.46 0.00 0.00 42.92 40.08 1n1b s ASP 471 CO 0.26 -0.69 1.93 0.74 0.52 0.00 0.00 175.17 177.92 1n1b h THR 472 N 4.78 0.83 -0.51 1.71 2.02 -1.99 -1.23 112.91 118.52 1n1b h THR 472 Ca -0.39 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 1n1b h THR 472 Cb 1.19 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1n1b h THR 472 CO 0.89 0.09 -0.06 0.00 0.37 0.00 0.00 175.52 176.80 1n1b h ALA 473 N 1.65 0.92 -0.17 6.16 0.00 -1.99 0.28 119.26 126.10 1n1b h ALA 473 Ca 0.36 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n1b h ALA 473 Cb 0.74 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1n1b h ALA 473 CO -0.12 0.63 -0.14 0.28 0.00 0.00 0.00 179.25 179.90 1n1b h VAL 474 N 0.83 1.33 -0.69 0.00 2.07 -1.65 -2.04 116.25 116.10 1n1b h VAL 474 Ca 0.14 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1n1b h VAL 474 Cb 0.58 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1n1b h VAL 474 CO 0.04 0.38 0.29 0.40 0.02 0.00 0.00 177.57 178.70 1n1b h ILE 475 N 0.06 1.24 -0.56 4.57 2.04 -1.25 -2.02 117.51 121.58 1n1b h ILE 475 Ca 0.03 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1n1b h ILE 475 Cb 0.66 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1n1b h ILE 475 CO 0.04 0.30 0.21 0.44 0.00 0.00 0.00 178.15 179.13 1n1b h ASP 476 N 0.98 0.75 -0.66 1.72 3.32 -0.91 -1.33 116.42 120.29 1n1b h ASP 476 Ca 0.23 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1n1b h ASP 476 Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1n1b h ASP 476 CO -0.02 0.69 0.41 -1.28 -1.72 0.00 0.00 179.24 177.31 1n1b h SER 477 N 0.81 0.78 -0.35 6.45 0.87 -0.76 0.24 113.55 121.58 1n1b h SER 477 Ca 0.19 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1n1b h SER 477 Cb 0.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1n1b h SER 477 CO -0.01 0.60 0.23 0.25 -0.53 0.00 0.00 176.83 177.36 1n1b h LEU 478 N 0.89 0.40 -0.06 2.23 5.85 -0.66 -3.04 115.31 120.92 1n1b h LEU 478 Ca 0.24 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1n1b h LEU 478 Cb -0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1n1b h LEU 478 CO -0.05 0.29 -0.09 -1.22 -0.34 0.00 0.00 178.44 177.03 1n1b n TYR 479 N -4.85 0.00 0.34 1.25 4.02 -0.58 -1.98 117.16 115.36 1n1b n TYR 479 Ca -0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 1n1b n TYR 479 Cb 0.02 -0.32 0.58 0.00 -0.02 0.00 0.00 39.34 39.60 1n1b n TYR 479 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1n1b h GLN 480 N 0.15 0.00 -2.59 -0.72 3.07 -0.89 -3.45 115.11 110.68 1n1b h GLN 480 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n1b h GLN 480 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1n1b h GLN 480 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1n1b n TYR 481 N -2.46 0.00 -1.30 0.06 0.53 -0.87 -5.03 117.16 108.08 1n1b n TYR 481 Ca 0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.52 1n1b n TYR 481 Cb 0.21 -1.29 0.06 0.00 -1.03 0.00 0.00 39.34 37.29 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 -0.22 -0.82 -0.35 -0.72 -0.00 -0.84 -4.60 115.22 107.67 1n1b n HIS 482 Ca 0.00 0.37 0.15 0.00 -0.00 0.00 0.00 57.72 58.24 1n1b n HIS 482 Cb 0.00 -1.92 0.36 0.00 -0.00 0.00 0.00 29.99 28.43 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 -0.24 0.73 -0.82 0.26 3.45 -1.93 -1.32 116.42 116.55 1n1b h ASP 483 Ca -0.45 0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.18 1n1b h ASP 483 Cb 1.36 -0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 40.07 1n1b h ASP 483 CO 0.43 0.19 0.50 0.40 -1.57 0.00 0.00 179.24 179.19 1n1b h ILE 484 N 0.67 1.03 -0.09 0.35 2.04 -1.95 0.16 117.51 119.73 1n1b h ILE 484 Ca 0.61 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.94 1n1b h ILE 484 Cb 1.07 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1n1b h ILE 484 CO -0.43 0.17 -0.82 -0.07 0.00 0.00 0.00 178.15 177.00 1n1b h LEU 485 N 0.92 0.72 -0.63 1.44 3.38 -1.59 -2.16 115.31 117.39 1n1b h LEU 485 Ca 0.36 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1n1b h LEU 485 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1n1b h LEU 485 CO -0.17 1.28 0.19 0.00 0.09 0.00 0.00 178.44 179.82 1n1b h LEU 487 N 0.91 0.44 -1.41 0.00 3.38 -0.68 -0.99 115.31 116.95 1n1b h LEU 487 Ca 0.20 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1n1b h LEU 487 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1n1b h LEU 487 CO -0.00 0.68 -0.29 0.00 0.09 0.00 0.00 178.44 178.91 1n1b h ALA 488 N 1.36 1.51 -0.09 1.53 0.00 -1.01 0.14 119.26 122.69 1n1b h ALA 488 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1n1b h ALA 488 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n1b h ALA 488 CO 0.04 0.37 -0.05 0.78 0.00 0.00 0.00 179.25 180.39 1n1b h GLY 489 N 0.88 0.22 0.96 0.00 0.00 -0.32 -2.62 103.07 102.19 1n1b h GLY 489 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1n1b h GLY 489 CO 0.04 0.18 -0.07 -2.22 0.00 0.00 0.00 176.54 174.47 1n1b h ILE 490 N -0.17 0.88 0.00 2.60 1.08 -0.69 0.51 117.51 121.72 1n1b h ILE 490 Ca 0.02 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1n1b h ILE 490 Cb 0.51 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1n1b h ILE 490 CO 0.01 0.02 -0.05 0.40 -0.69 0.00 0.00 178.15 177.85 1n1b h ILE 491 N -0.23 0.64 0.15 -0.67 2.04 -0.81 -0.98 117.51 117.66 1n1b h ILE 491 Ca -0.02 -0.21 -0.29 0.00 1.00 0.00 0.00 64.86 65.34 1n1b h ILE 491 Cb 0.18 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1n1b h ILE 491 CO 0.03 0.05 -1.44 0.25 0.00 0.00 0.00 178.15 177.04 1n1b h LEU 492 N 0.00 0.51 -0.48 1.44 5.85 -1.26 -3.37 115.31 118.00 1n1b h LEU 492 Ca -0.00 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.81 1n1b h LEU 492 Cb 0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1n1b h LEU 492 CO 0.01 1.65 0.24 -0.09 -0.34 0.00 0.00 178.44 179.90 1n1b h ARG 493 N -0.15 0.68 0.52 1.25 9.65 -0.37 -2.63 114.38 123.32 1n1b h ARG 493 Ca -0.29 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.47 1n1b h ARG 493 Cb 1.88 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 30.34 1n1b h ARG 493 CO 0.13 0.57 -0.25 -0.07 2.80 0.00 0.00 179.97 183.14 1n1b h LEU 494 N 0.63 -0.59 -1.37 3.80 3.38 -1.39 -0.12 115.31 119.65 1n1b h LEU 494 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1n1b h LEU 494 Cb 0.10 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1n1b h LEU 494 CO -0.02 -0.36 0.40 -0.65 0.09 0.00 0.00 178.44 177.90 1n1b h PRO 495 N -0.78 0.83 0.32 1.13 0.11 -1.73 -0.01 132.00 131.88 1n1b h PRO 495 Ca -0.07 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1n1b h PRO 495 Cb 0.57 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1n1b h PRO 495 CO 0.12 0.56 -0.15 0.22 -0.21 0.00 0.00 178.00 178.53 1n1b h ASP 496 N 0.85 -0.36 -0.63 -2.05 1.82 -1.27 -2.30 116.42 112.48 1n1b h ASP 496 Ca 0.23 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 1n1b h ASP 496 Cb -0.08 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 1n1b h ASP 496 CO -0.05 -0.18 0.24 0.44 -1.61 0.00 0.00 179.24 178.08 1n1b h ASP 497 N -0.52 0.87 -0.42 2.28 5.19 -0.79 -2.23 116.42 120.80 1n1b h ASP 497 Ca -0.04 -0.18 0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1n1b h ASP 497 Cb 0.39 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 1n1b h ASP 497 CO 0.07 0.82 0.33 0.25 -3.12 0.00 0.00 179.24 177.59 1n1b h LEU 498 N 0.88 0.00 -0.95 1.55 5.85 -0.88 -3.47 115.31 118.28 1n1b h LEU 498 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1n1b h LEU 498 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1n1b h LEU 498 CO -0.01 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 1n1b n GLY 499 N -1.57 0.16 0.00 3.75 0.00 -0.84 -4.95 105.19 101.74 1n1b n GLY 499 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1n1b n GLY 499 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n1b n ASP 509 N 0.20 0.00 -4.72 1.61 8.00 -1.26 -4.40 116.55 115.99 1n1b n ASP 509 Ca 0.13 -0.10 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 1n1b n ASP 509 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.00 5.25 -0.03 2.53 1.01 -1.26 -5.04 120.40 120.85 1n1b s VAL 510 Ca 0.03 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1n1b s VAL 510 Cb 0.01 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1n1b s VAL 510 CO 0.02 0.34 1.56 -2.84 0.00 0.00 0.00 175.10 174.18 1n1b s PRO 511 N 0.66 4.21 0.00 2.72 0.02 -1.26 -5.01 135.00 136.35 1n1b s PRO 511 Ca 0.20 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1n1b s PRO 511 Cb -0.14 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.57 1n1b s PRO 511 CO 0.07 -0.75 0.00 1.63 -0.33 0.00 0.00 177.00 177.62 1n1b n LYS 512 N 6.43 2.88 -0.20 5.54 5.02 -1.26 -4.84 118.16 131.72 1n1b n LYS 512 Ca 0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1n1b n LYS 512 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 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 0.55 0.03 0.34 -0.18 2.02 -1.95 0.11 112.91 113.84 1n1b h THR 513 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1n1b h THR 513 Cb 0.00 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1n1b h THR 513 CO 0.00 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 176.04 1n1b h ILE 514 N -0.28 0.47 -0.17 3.11 1.08 -1.94 -1.55 117.51 118.22 1n1b h ILE 514 Ca 0.13 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 1n1b h ILE 514 Cb 0.56 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1n1b h ILE 514 CO -0.68 0.00 -0.17 1.56 -0.69 0.00 0.00 178.15 178.17 1n1b h GLN 515 N -0.59 -0.19 -0.95 2.37 7.50 -1.85 -0.48 115.11 120.91 1n1b h GLN 515 Ca -0.03 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1n1b h GLN 515 Cb 0.51 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.04 1n1b h GLN 515 CO -0.00 -0.13 0.60 0.00 -1.50 0.00 0.00 178.83 177.80 1n1b h TYR 517 N 1.30 0.93 -0.48 0.00 3.20 -0.85 -2.26 116.97 118.81 1n1b h TYR 517 Ca 0.35 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1n1b h TYR 517 Cb -0.10 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1n1b h TYR 517 CO 0.00 0.97 -0.05 0.52 -1.64 0.00 0.00 178.16 177.97 1n1b h MET 518 N 0.62 0.88 0.00 1.82 2.86 -0.88 -1.25 114.93 118.97 1n1b h MET 518 Ca 0.09 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1n1b h MET 518 Cb 0.72 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1n1b h MET 518 CO 0.05 0.94 -0.29 -0.22 1.06 0.00 0.00 176.91 178.45 1n1b h LYS 519 N 0.73 0.00 0.00 1.72 3.64 -1.27 0.79 116.57 122.18 1n1b h LYS 519 Ca 0.13 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.28 1n1b h LYS 519 Cb 0.58 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1n1b h LYS 519 CO 0.03 0.29 -1.28 1.49 -2.27 0.00 0.00 179.45 177.72 1n1b h GLU 520 N 0.00 0.00 0.00 1.90 4.81 -1.17 -3.39 114.58 116.74 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 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1n1b h GLU 520 CO 0.04 0.71 0.00 0.25 -0.73 0.00 0.00 179.01 179.28 1n1b n THR 521 N -3.19 0.03 -1.30 0.32 -2.24 -0.49 -4.99 114.28 102.43 1n1b n THR 521 Ca -0.07 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1n1b n THR 521 Cb 0.96 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.02 -5.58 -4.73 3.42 3.02 0.27 -4.94 115.26 106.71 1n1b n ASN 522 Ca 0.00 0.26 -0.31 0.00 -0.03 0.00 0.00 54.58 54.50 1n1b n ASN 522 Cb 0.04 -4.11 0.12 0.00 -0.61 0.00 0.00 39.78 35.21 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 -1.89 1.95 0.68 5.41 0.00 -1.23 -5.01 121.76 121.67 1n1b s ALA 523 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1n1b s ALA 523 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1n1b s ALA 523 CO 0.00 -2.14 1.07 -1.54 0.00 0.00 0.00 175.76 173.16 1n1b s SER 524 N -2.92 5.68 0.32 0.00 1.04 -1.26 -4.74 113.70 111.82 1n1b s SER 524 Ca 0.65 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1n1b s SER 524 Cb -0.21 -2.12 0.55 0.00 0.10 0.00 0.00 66.02 64.34 1n1b s SER 524 CO 0.55 -1.21 1.97 -0.08 0.98 0.00 0.00 173.24 175.46 1n1b h GLU 525 N -0.56 0.96 -0.59 4.02 4.81 -1.98 0.15 114.58 121.38 1n1b h GLU 525 Ca -0.45 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1n1b h GLU 525 Cb 1.23 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1n1b h GLU 525 CO 0.63 0.63 0.22 0.93 -0.73 0.00 0.00 179.01 180.69 1n1b h GLU 526 N 0.99 0.90 -0.21 1.92 3.07 -1.99 -0.16 114.58 119.10 1n1b h GLU 526 Ca 0.29 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 1n1b h GLU 526 Cb -0.04 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1n1b h GLU 526 CO -0.07 0.78 -0.39 0.93 -1.40 0.00 0.00 179.01 178.86 1n1b h GLU 527 N 0.83 0.47 -0.19 2.33 5.08 -1.68 -1.90 114.58 119.52 1n1b h GLU 527 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1n1b h GLU 527 Cb 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1n1b h GLU 527 CO -0.01 0.78 0.01 0.00 -1.00 0.00 0.00 179.01 178.80 1n1b h ALA 528 N 1.19 0.25 -0.88 3.43 0.00 -0.31 -0.31 119.26 122.64 1n1b h ALA 528 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n1b h ALA 528 Cb 0.86 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1n1b h ALA 528 CO 0.07 -0.05 0.57 0.28 0.00 0.00 0.00 179.25 180.12 1n1b h VAL 529 N 0.10 1.19 -0.05 0.00 2.07 -0.93 -0.38 116.25 118.25 1n1b h VAL 529 Ca 0.06 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1n1b h VAL 529 Cb 0.35 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1n1b h VAL 529 CO 0.01 0.21 -0.42 -0.08 0.02 0.00 0.00 177.57 177.31 1n1b h GLU 530 N 1.15 0.10 -0.26 1.57 4.57 -1.15 -2.10 114.58 118.46 1n1b h GLU 530 Ca 0.34 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.28 1n1b h GLU 530 Cb -0.07 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1n1b h GLU 530 CO -0.09 0.50 -0.59 1.25 -1.18 0.00 0.00 179.01 178.90 1n1b h HIS 531 N 0.09 1.09 -0.77 0.92 2.76 -0.10 -2.69 115.15 116.44 1n1b h HIS 531 Ca 0.01 -0.41 -0.02 0.00 -2.20 0.00 0.00 60.37 57.74 1n1b h HIS 531 Cb 0.78 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 1n1b h HIS 531 CO 0.01 1.24 0.40 0.28 -1.30 0.00 0.00 177.93 178.55 1n1b h VAL 532 N 0.63 1.24 -0.54 5.26 2.07 -0.84 0.53 116.25 124.60 1n1b h VAL 532 Ca -0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1n1b h VAL 532 Cb 1.21 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1n1b h VAL 532 CO 0.13 0.28 0.34 0.11 0.02 0.00 0.00 177.57 178.45 1n1b h LYS 533 N 1.08 0.71 -0.20 1.57 1.57 -1.31 -0.16 116.57 119.82 1n1b h LYS 533 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1n1b h LYS 533 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1n1b h LYS 533 CO -0.04 0.49 -0.15 0.35 -0.57 0.00 0.00 179.45 179.53 1n1b h PHE 534 N 0.73 0.55 -0.46 -1.35 3.57 -0.96 -2.67 116.94 116.35 1n1b h PHE 534 Ca 0.19 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1n1b h PHE 534 Cb -0.06 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1n1b h PHE 534 CO 0.00 0.79 0.28 -0.07 -2.23 0.00 0.00 178.31 177.08 1n1b h LEU 535 N 0.15 0.54 -0.38 0.59 3.38 -0.13 -0.62 115.31 118.83 1n1b h LEU 535 Ca 0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1n1b h LEU 535 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1n1b h LEU 535 CO 0.04 0.41 -0.04 0.40 0.09 0.00 0.00 178.44 179.34 1n1b h ILE 536 N 0.63 1.27 -0.71 1.22 2.04 -0.95 0.17 117.51 121.17 1n1b h ILE 536 Ca 0.17 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1n1b h ILE 536 Cb -0.03 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1n1b h ILE 536 CO -0.03 0.36 0.22 0.03 0.00 0.00 0.00 178.15 178.73 1n1b h ARG 537 N 0.51 1.10 -0.63 2.37 3.08 -1.05 -1.48 114.38 118.29 1n1b h ARG 537 Ca 0.10 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1n1b h ARG 537 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1n1b h ARG 537 CO 0.03 0.95 0.05 1.49 -1.07 0.00 0.00 179.97 181.41 1n1b h GLU 538 N 1.04 1.08 -0.72 0.04 4.57 -0.93 -1.54 114.58 118.11 1n1b h GLU 538 Ca 0.23 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1n1b h GLU 538 Cb 0.31 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1n1b h GLU 538 CO -0.01 1.02 0.28 0.00 -1.18 0.00 0.00 179.01 179.13 1n1b h ALA 539 N 1.04 0.94 -0.30 2.92 0.00 -0.29 -0.77 119.26 122.81 1n1b h ALA 539 Ca 0.19 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1n1b h ALA 539 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1n1b h ALA 539 CO 0.02 0.57 -0.27 -1.49 0.00 0.00 0.00 179.25 178.08 1n1b h TRP 540 N 1.04 0.68 -0.51 0.00 4.06 -1.02 0.22 115.95 120.43 1n1b h TRP 540 Ca 0.24 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 1n1b h TRP 540 Cb 0.22 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1n1b h TRP 540 CO 0.02 0.81 0.21 -0.22 -3.56 0.00 0.00 178.44 175.70 1n1b h LYS 541 N 0.52 0.75 -0.62 0.49 3.64 -0.88 0.19 116.57 120.65 1n1b h LYS 541 Ca 0.07 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1n1b h LYS 541 Cb 0.74 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1n1b h LYS 541 CO 0.06 0.66 0.34 -0.44 -2.27 0.00 0.00 179.45 177.80 1n1b h ASP 542 N 0.68 0.78 -0.23 4.20 3.32 -0.77 -1.19 116.42 123.20 1n1b h ASP 542 Ca 0.17 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1n1b h ASP 542 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1n1b h ASP 542 CO -0.01 0.64 0.10 -0.03 -1.72 0.00 0.00 179.24 178.22 1n1b h MET 543 N 0.85 0.33 -0.86 3.56 4.05 -0.51 0.61 114.93 122.96 1n1b h MET 543 Ca 0.22 -0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.67 1n1b h MET 543 Cb 0.04 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.71 1n1b h MET 543 CO -0.04 0.37 0.52 -0.91 0.23 0.00 0.00 176.91 177.08 1n1b h ASN 544 N 0.22 0.78 -0.10 1.39 2.35 -0.41 -0.87 115.58 118.95 1n1b h ASN 544 Ca 0.08 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1n1b h ASN 544 Cb 0.15 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1n1b h ASN 544 CO -0.01 0.46 -0.03 0.74 -1.65 0.00 0.00 177.43 176.95 1n1b h THR 545 N 0.89 1.30 -0.56 2.81 2.02 -0.83 -1.85 112.91 116.69 1n1b h THR 545 Ca 0.40 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1n1b h THR 545 Cb 0.30 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1n1b h THR 545 CO -0.22 0.27 0.33 0.00 0.37 0.00 0.00 175.52 176.28 1n1b h ALA 546 N 0.68 0.72 -0.52 6.16 0.00 -0.49 0.06 119.26 125.87 1n1b h ALA 546 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n1b h ALA 546 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1n1b h ALA 546 CO 0.01 0.05 0.11 0.82 0.00 0.00 0.00 179.25 180.24 1n1b h ILE 547 N 0.65 1.25 0.00 0.00 2.04 -1.18 -2.60 117.51 117.68 1n1b h ILE 547 Ca 0.23 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1n1b h ILE 547 Cb 0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1n1b h ILE 547 CO -0.11 0.32 -0.19 0.00 0.00 0.00 0.00 178.15 178.18 1n1b h ALA 548 N 1.00 1.18 0.00 1.87 0.00 -0.84 -2.44 119.26 120.02 1n1b h ALA 548 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n1b h ALA 548 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n1b h ALA 548 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1n1b n ALA 549 N -2.27 1.67 0.00 0.00 0.00 -0.04 -4.99 120.51 114.88 1n1b n ALA 549 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1n1b n ALA 549 Cb 0.33 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.01 0.37 3.44 0.00 0.00 -0.92 -5.10 105.19 102.99 1n1b n GLY 550 Ca 0.03 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.84 -0.53 -1.93 1.61 -0.85 -1.26 -4.89 117.35 106.65 1n1b s TYR 551 Ca 0.00 0.70 0.11 0.00 -0.52 0.00 0.00 57.07 57.35 1n1b s TYR 551 Cb 0.00 0.40 0.32 0.00 0.38 0.00 0.00 41.96 43.06 1n1b s TYR 551 CO 0.00 -0.66 1.25 -0.35 -1.52 0.00 0.00 175.55 174.27 1n1b n PRO 552 N 0.48 1.87 -2.93 -3.49 -0.04 -1.26 -4.93 135.00 124.70 1n1b n PRO 552 Ca -0.18 -1.28 -0.23 0.00 -0.04 0.00 0.00 63.50 61.76 1n1b n PRO 552 Cb 0.60 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.54 3.22 0.39 0.54 2.99 -1.26 -4.75 117.98 117.57 1n1b s PHE 553 Ca 0.24 0.26 -0.27 0.00 0.00 0.00 0.00 56.93 57.16 1n1b s PHE 553 Cb 0.13 -2.35 -0.10 0.00 0.00 0.00 0.00 43.02 40.70 1n1b s PHE 553 CO 0.16 -0.40 1.38 -2.14 -0.00 0.00 0.00 175.22 174.21 1n1b s PRO 554 N -4.59 4.02 0.40 0.24 0.02 -1.26 -4.90 135.00 128.93 1n1b s PRO 554 Ca 0.49 2.33 0.07 0.00 0.02 0.00 0.00 61.00 63.92 1n1b s PRO 554 Cb -0.10 -2.86 0.83 0.00 0.02 0.00 0.00 34.50 32.40 1n1b s PRO 554 CO 0.38 -0.51 2.02 -0.44 -0.33 0.00 0.00 177.00 178.13 1n1b h ASP 555 N 2.83 0.43 -0.05 2.53 3.32 -1.96 -2.31 116.42 121.21 1n1b h ASP 555 Ca -0.50 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.48 1n1b h ASP 555 Cb 1.24 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1n1b h ASP 555 CO 0.63 0.36 -0.06 1.23 -1.72 0.00 0.00 179.24 179.68 1n1b h GLY 556 N 0.59 0.29 0.76 2.75 0.00 -1.99 -0.60 103.07 104.86 1n1b h GLY 556 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1n1b h GLY 556 CO -0.02 0.15 -0.44 1.98 0.00 0.00 0.00 176.54 178.21 1n1b h MET 557 N 0.26 0.41 -0.64 4.80 1.85 -1.80 -2.77 114.93 117.05 1n1b h MET 557 Ca 0.06 -0.35 -0.02 0.00 -0.61 0.00 0.00 59.70 58.77 1n1b h MET 557 Cb 0.28 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 1n1b h MET 557 CO 0.01 1.00 0.31 0.28 -0.40 0.00 0.00 176.91 178.11 1n1b h VAL 558 N -0.07 1.21 -0.91 -5.77 2.07 -1.28 0.03 116.25 111.52 1n1b h VAL 558 Ca -0.04 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1n1b h VAL 558 Cb 1.10 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1n1b h VAL 558 CO 0.09 0.24 0.59 0.00 0.02 0.00 0.00 177.57 178.51 1n1b h ALA 559 N 1.45 1.16 -0.60 1.67 0.00 -1.11 0.12 119.26 121.94 1n1b h ALA 559 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n1b h ALA 559 Cb 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1n1b h ALA 559 CO -0.03 0.58 0.09 0.78 0.00 0.00 0.00 179.25 180.67 1n1b h GLY 560 N 1.25 1.08 1.00 0.00 0.00 -0.92 -1.52 103.07 103.95 1n1b h GLY 560 Ca 0.33 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1n1b h GLY 560 CO -0.07 0.67 0.37 0.00 0.00 0.00 0.00 176.54 177.52 1n1b h ALA 561 N 1.01 0.83 -0.49 3.60 0.00 -0.15 -1.73 119.26 122.34 1n1b h ALA 561 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1n1b h ALA 561 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1n1b h ALA 561 CO 0.01 0.33 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1n1b h ALA 562 N 1.19 0.66 -0.10 0.00 0.00 -0.82 -3.24 119.26 116.94 1n1b h ALA 562 Ca 0.23 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1n1b h ALA 562 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n1b h ALA 562 CO -0.04 0.54 -0.39 -0.91 0.00 0.00 0.00 179.25 178.45 1n1b h ASN 563 N 0.76 0.23 -0.92 0.00 2.35 -0.99 -3.26 115.58 113.75 1n1b h ASN 563 Ca 0.13 -0.09 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1n1b h ASN 563 Cb 0.62 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.85 1n1b h ASN 563 CO 0.04 0.61 0.57 -0.29 -1.65 0.00 0.00 177.43 176.71 1n1b h ILE 564 N 0.19 0.98 -0.41 2.81 2.10 -1.35 -0.20 117.51 121.63 1n1b h ILE 564 Ca 0.02 -0.33 -0.09 0.00 1.08 0.00 0.00 64.86 65.53 1n1b h ILE 564 Cb 0.78 -0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 36.41 1n1b h ILE 564 CO 0.06 0.18 -0.12 1.23 -1.08 0.00 0.00 178.15 178.42 1n1b h GLY 565 N 0.97 0.79 1.20 8.18 0.00 -1.72 -2.80 103.07 109.69 1n1b h GLY 565 Ca 0.43 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1n1b h GLY 565 CO -0.22 0.54 0.39 3.21 0.00 0.00 0.00 176.54 180.47 1n1b h ARG 566 N 0.66 1.04 -0.70 4.80 3.08 -1.15 -1.44 114.38 120.67 1n1b h ARG 566 Ca 0.11 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1n1b h ARG 566 Cb 0.58 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1n1b h ARG 566 CO 0.04 0.77 0.42 0.28 -1.07 0.00 0.00 179.97 180.41 1n1b h VAL 567 N 1.04 1.20 -0.59 2.04 2.07 -1.02 -1.33 116.25 119.66 1n1b h VAL 567 Ca 0.26 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1n1b h VAL 567 Cb 0.05 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1n1b h VAL 567 CO -0.04 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.05 1n1b h ALA 568 N 1.22 0.77 -0.51 1.67 0.00 -1.27 -0.47 119.26 120.66 1n1b h ALA 568 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n1b h ALA 568 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1n1b h ALA 568 CO -0.05 0.33 0.34 1.96 0.00 0.00 0.00 179.25 181.83 1n1b h GLN 569 N 0.81 0.66 0.01 0.00 4.20 -0.72 0.22 115.11 120.29 1n1b h GLN 569 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1n1b h GLN 569 Cb 0.12 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1n1b h GLN 569 CO -0.03 0.43 -0.01 0.35 -0.67 0.00 0.00 178.83 178.91 1n1b h PHE 570 N 0.68 -0.02 -0.43 2.96 3.57 -0.70 -2.89 116.94 120.11 1n1b h PHE 570 Ca 0.19 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1n1b h PHE 570 Cb -0.06 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1n1b h PHE 570 CO -0.00 0.65 0.12 0.82 -2.23 0.00 0.00 178.31 177.67 1n1b h ILE 571 N -0.71 1.23 -0.54 1.41 2.04 -0.91 -3.05 117.51 116.97 1n1b h ILE 571 Ca -0.00 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1n1b h ILE 571 Cb 0.67 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 1n1b h ILE 571 CO 0.00 0.27 0.14 -1.22 0.00 0.00 0.00 178.15 177.34 1n1b n TYR 572 N -4.55 1.84 -0.07 1.37 4.02 0.05 -3.22 117.16 116.60 1n1b n TYR 572 Ca 0.00 -0.83 -0.08 0.00 -0.01 0.00 0.00 57.90 56.98 1n1b n TYR 572 Cb 0.20 -0.53 -0.01 0.00 -0.02 0.00 0.00 39.34 38.98 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 2.55 0.14 -5.27 7.72 5.85 -1.39 -3.22 115.31 121.69 1n1b h LEU 573 Ca 0.14 0.02 -0.59 0.00 0.84 0.00 0.00 57.88 58.29 1n1b h LEU 573 Cb 1.88 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.49 1n1b h LEU 573 CO 0.52 0.11 -0.66 1.41 -0.34 0.00 0.00 178.44 179.48 1n1b n HIS 574 N -5.01 3.95 -2.37 1.25 8.25 -1.26 -5.08 115.22 114.95 1n1b n HIS 574 Ca -0.01 -3.95 0.00 0.00 -0.26 0.00 0.00 57.72 53.50 1n1b n HIS 574 Cb 0.09 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.25 -1.83 3.61 -1.41 0.00 -1.22 -4.80 105.19 99.30 1n1b n GLY 575 Ca 0.31 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 6.26 0.37 1.61 -1.08 -1.26 -4.03 116.67 114.54 1n1b s ASP 576 Ca 0.00 1.11 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 1n1b s ASP 576 Cb 0.00 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.98 1n1b s ASP 576 CO 0.00 -1.45 1.81 1.23 0.52 0.00 0.00 175.17 177.28 1n1b h GLY 577 N 12.38 0.00 -7.72 2.66 0.00 -1.86 -3.50 103.07 105.03 1n1b h GLY 577 Ca -0.30 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.27 1n1b h GLY 577 CO 1.05 0.00 -0.01 -1.36 0.00 0.00 0.00 176.54 176.23 1n1b s PHE 578 N -3.41 3.71 0.00 5.60 2.99 -1.26 -4.56 117.98 121.04 1n1b s PHE 578 Ca 0.04 -2.28 0.00 0.00 0.00 0.00 0.00 56.93 54.69 1n1b s PHE 578 Cb 0.09 -3.63 0.00 0.00 0.00 0.00 0.00 43.02 39.48 1n1b s PHE 578 CO 0.49 -0.94 0.00 -1.13 -0.00 0.00 0.00 175.22 173.65 1n1b n SER 583 N 3.68 0.00 0.04 1.36 3.41 -1.26 -5.16 113.62 115.70 1n1b n SER 583 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 1n1b n SER 583 Cb 0.44 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 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 6.71 0.43 -0.48 4.33 1.57 -2.00 -3.06 116.57 124.07 1n1b h LYS 584 Ca 0.00 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1n1b h LYS 584 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1n1b h LYS 584 CO 0.00 0.93 0.32 1.15 -0.57 0.00 0.00 179.45 181.28 1n1b h THR 585 N 0.31 1.12 -0.10 -0.16 2.02 -1.98 0.11 112.91 114.23 1n1b h THR 585 Ca -0.01 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1n1b h THR 585 Cb 1.20 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1n1b h THR 585 CO 0.11 0.12 -0.34 1.88 0.37 0.00 0.00 175.52 177.66 1n1b h TYR 586 N 0.65 0.21 -0.47 3.16 -1.99 -1.82 -0.78 116.97 115.93 1n1b h TYR 586 Ca 0.18 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 1n1b h TYR 586 Cb -0.07 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1n1b h TYR 586 CO -0.04 0.51 -0.06 0.93 -0.00 0.00 0.00 178.16 179.49 1n1b h GLU 587 N 0.17 0.87 -0.12 4.88 5.08 -1.33 -1.34 114.58 122.78 1n1b h GLU 587 Ca 0.02 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1n1b h GLU 587 Cb 0.68 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1n1b h GLU 587 CO 0.05 0.95 0.08 1.25 -1.00 0.00 0.00 179.01 180.33 1n1b h HIS 588 N 0.72 0.16 -0.65 4.33 2.76 -0.45 -0.88 115.15 121.13 1n1b h HIS 588 Ca 0.12 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1n1b h HIS 588 Cb 0.60 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1n1b h HIS 588 CO 0.05 0.12 0.43 0.82 -1.30 0.00 0.00 177.93 178.04 1n1b h ILE 589 N 0.15 1.17 -0.80 6.26 2.04 -1.03 -1.96 117.51 123.33 1n1b h ILE 589 Ca 0.04 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1n1b h ILE 589 Cb 0.01 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1n1b h ILE 589 CO -0.01 0.16 0.33 0.00 0.00 0.00 0.00 178.15 178.64 1n1b h ALA 590 N 1.24 1.07 0.00 1.87 0.00 -1.00 -0.33 119.26 122.11 1n1b h ALA 590 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1n1b h ALA 590 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1n1b h ALA 590 CO -0.05 0.66 -0.22 0.78 0.00 0.00 0.00 179.25 180.42 1n1b h GLY 591 N 1.17 0.00 0.79 0.00 0.00 -0.68 0.94 103.07 105.29 1n1b h GLY 591 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.25 1n1b h GLY 591 CO -0.02 0.00 -1.78 -2.00 0.00 0.00 0.00 176.54 172.73 1n1b h LEU 592 N 0.00 0.54 0.00 3.11 5.85 -0.76 -3.37 115.31 120.67 1n1b h LEU 592 Ca -0.00 -0.93 -0.37 0.00 0.84 0.00 0.00 57.88 57.41 1n1b h LEU 592 Cb 0.47 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 1n1b h LEU 592 CO 0.03 1.79 -2.41 0.18 -0.34 0.00 0.00 178.44 177.69 1n1b n LEU 593 N -3.61 0.58 -0.00 2.25 4.77 -0.19 -4.75 117.00 116.06 1n1b n LEU 593 Ca -0.27 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 55.73 1n1b n LEU 593 Cb 1.05 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 42.30 1n1b n LEU 593 CO 0.48 0.59 -0.26 0.49 -1.33 0.00 0.00 177.39 177.35 1n1b n PHE 594 N -2.85 0.00 -3.86 -1.77 0.99 0.23 -4.79 117.46 105.40 1n1b n PHE 594 Ca -0.36 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.74 1n1b n PHE 594 Cb 1.13 -0.09 -0.14 0.00 -1.00 0.00 0.00 39.48 39.39 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 -2.17 3.09 0.77 -1.08 2.02 -0.61 -5.01 118.70 115.71 1n1b s GLU 595 Ca 0.01 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 1n1b s GLU 595 Cb 0.06 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 31.21 1n1b s GLU 595 CO 0.38 -0.36 1.15 -2.14 0.02 0.00 0.00 175.26 174.31 1n1b s PRO 596 N 1.44 1.98 -0.45 0.39 0.02 -1.26 -4.71 135.00 132.42 1n1b s PRO 596 Ca 0.03 1.52 -0.27 0.00 0.02 0.00 0.00 61.00 62.29 1n1b s PRO 596 Cb -0.16 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1n1b s PRO 596 CO -0.01 -1.90 1.02 -0.47 -0.33 0.00 0.00 177.00 175.30 1n1b s TYR 597 N -2.41 2.91 -1.14 6.54 5.04 -1.26 -5.12 117.35 121.91 1n1b s TYR 597 Ca 0.68 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 1n1b s TYR 597 Cb -0.23 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 37.98 1n1b s TYR 597 CO 0.50 -1.11 0.29 0.00 -1.34 0.00 0.00 175.55 173.89