#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwe s SER 116 N 0.00 -0.01 -0.41 6.15 0.15 -1.26 -5.12 113.70 113.20 3iwe s SER 116 Ca 0.00 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.71 3iwe s SER 116 Cb 0.00 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.45 3iwe s SER 116 CO 0.00 -0.01 0.14 -0.31 1.20 0.00 0.00 173.24 174.27 3iwe s TYR 117 N 0.04 3.19 0.27 3.44 2.02 -1.26 -5.01 117.35 120.05 3iwe s TYR 117 Ca -0.00 -2.88 -0.01 0.00 -0.37 0.00 0.00 57.07 53.80 3iwe s TYR 117 Cb -0.01 -2.67 0.61 0.00 -0.40 0.00 0.00 41.96 39.50 3iwe s TYR 117 CO -0.00 -0.86 1.63 0.37 -1.57 0.00 0.00 175.55 175.12 3iwe h GLN 118 N 7.19 0.14 0.00 -0.62 4.15 -2.00 0.38 115.11 124.35 3iwe h GLN 118 Ca -0.06 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 3iwe h GLN 118 Cb 0.97 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3iwe h GLN 118 CO 0.57 0.09 -0.58 0.35 -1.93 0.00 0.00 178.83 177.33 3iwe h PHE 119 N 0.14 0.00 0.00 3.99 3.57 -2.02 -3.40 116.94 119.22 3iwe h PHE 119 Ca 0.51 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 3iwe h PHE 119 Cb 0.98 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3iwe h PHE 119 CO -0.36 0.58 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.76 3iwe h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.93 -0.56 115.95 116.93 3iwe h TRP 120 Ca -0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.84 3iwe h TRP 120 Cb 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3iwe h TRP 120 CO -0.02 0.05 0.00 -0.44 -3.56 0.00 0.00 178.44 174.47 3iwe h ASP 121 N 0.00 0.00 0.05 -3.49 3.32 -1.13 -2.54 116.42 112.63 3iwe h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iwe h ASP 121 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iwe h ASP 121 CO 0.01 0.00 -0.09 0.35 -1.72 0.00 0.00 179.24 177.79 3iwe n THR 122 N -2.73 0.00 -4.04 0.35 -2.24 -0.22 -4.96 114.28 100.44 3iwe n THR 122 Ca 0.00 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 3iwe n THR 122 Cb 0.20 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 3iwe n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iwe s GLN 123 N -2.15 3.04 -1.17 -0.78 -1.52 -0.96 -5.00 119.66 111.12 3iwe s GLN 123 Ca 0.33 -0.74 -0.15 0.00 -1.95 0.00 0.00 55.36 52.84 3iwe s GLN 123 Cb 0.20 -2.76 -0.06 0.00 -0.22 0.00 0.00 33.01 30.18 3iwe s GLN 123 CO 0.39 0.52 2.20 -0.35 -0.25 0.00 0.00 175.29 177.80 3iwe n PRO 124 N -0.14 2.38 -4.21 2.91 -0.04 -1.26 -4.83 135.00 129.80 3iwe n PRO 124 Ca -0.08 -2.14 -0.17 0.00 -0.04 0.00 0.00 63.50 61.07 3iwe n PRO 124 Cb 0.53 -2.99 -0.11 0.00 -0.04 0.00 0.00 33.50 30.89 3iwe n PRO 124 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iwe s VAL 125 N 3.74 1.17 0.82 0.52 -7.23 -1.26 -1.30 120.40 116.85 3iwe s VAL 125 Ca 0.53 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 3iwe s VAL 125 Cb 0.14 -1.43 0.08 0.00 0.56 0.00 0.00 36.38 35.73 3iwe s VAL 125 CO -0.01 -0.46 1.09 -2.84 -0.31 0.00 0.00 175.10 172.58 3iwe s PRO 126 N -2.66 1.91 0.27 4.82 0.02 -1.26 -4.94 135.00 133.16 3iwe s PRO 126 Ca 0.07 1.08 -0.29 0.00 0.02 0.00 0.00 61.00 61.87 3iwe s PRO 126 Cb -0.04 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 3iwe s PRO 126 CO 0.02 -1.86 1.03 0.15 -0.33 0.00 0.00 177.00 176.01 3iwe s LYS 127 N -4.90 4.71 0.33 5.54 1.02 -1.26 -3.94 119.74 121.24 3iwe s LYS 127 Ca 0.62 1.66 -0.29 0.00 0.02 0.00 0.00 55.97 57.98 3iwe s LYS 127 Cb -0.18 -3.20 -0.11 0.00 -0.52 0.00 0.00 37.83 33.82 3iwe s LYS 127 CO 0.56 0.32 1.53 1.28 -0.92 0.00 0.00 175.35 178.13 3iwe n LEU 128 N 1.26 4.47 0.00 3.17 4.77 -1.26 -2.96 117.00 126.45 3iwe n LEU 128 Ca -0.01 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3iwe n LEU 128 Cb 0.46 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 3iwe n LEU 128 CO 0.52 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3iwe n GLY 129 N 1.33 0.59 3.63 -0.72 0.00 -1.26 -5.00 105.19 103.76 3iwe n GLY 129 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3iwe n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwe s GLU 130 N -0.29 3.99 0.19 1.61 1.03 -1.15 -5.08 118.70 118.99 3iwe s GLU 130 Ca 0.00 -0.32 -0.30 0.00 0.03 0.00 0.00 54.97 54.38 3iwe s GLU 130 Cb 0.00 -3.39 -0.08 0.00 -0.80 0.00 0.00 34.13 29.86 3iwe s GLU 130 CO 0.00 0.12 1.15 0.08 -1.33 0.00 0.00 175.26 175.28 3iwe s VAL 131 N 0.83 3.69 -0.16 1.83 1.01 -1.26 -4.87 120.40 121.47 3iwe s VAL 131 Ca 0.06 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 3iwe s VAL 131 Cb -0.13 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3iwe s VAL 131 CO 0.02 0.25 -0.00 -0.69 0.00 0.00 0.00 175.10 174.68 3iwe s VAL 132 N -0.23 4.22 -0.06 2.92 1.01 -1.26 -4.98 120.40 122.02 3iwe s VAL 132 Ca 0.51 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3iwe s VAL 132 Cb -0.31 -2.87 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 3iwe s VAL 132 CO 0.36 0.49 0.19 0.59 0.00 0.00 0.00 175.10 176.73 3iwe n ASN 133 N 3.48 2.82 -4.97 3.32 3.02 -1.26 -3.92 115.26 117.75 3iwe n ASN 133 Ca -0.17 -0.10 -0.20 0.00 -0.03 0.00 0.00 54.58 54.08 3iwe n ASN 133 Cb 0.52 1.30 0.03 0.00 -0.61 0.00 0.00 39.78 41.03 3iwe n ASN 133 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3iwe s THR 134 N -2.42 2.72 -0.08 3.41 -4.23 -1.26 -4.85 115.64 108.92 3iwe s THR 134 Ca -0.02 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3iwe s THR 134 Cb 0.05 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.94 3iwe s THR 134 CO 0.32 0.00 -0.03 -1.00 -0.54 0.00 0.00 174.62 173.37 3iwe s HIS 135 N -2.68 0.96 -4.36 3.99 3.76 -1.25 -3.84 115.29 111.87 3iwe s HIS 135 Ca 0.57 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3iwe s HIS 135 Cb -0.10 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.64 3iwe s HIS 135 CO 0.37 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 3iwe n GLY 136 N 4.99 -2.56 3.78 -2.22 0.00 -0.37 -5.00 105.19 103.81 3iwe n GLY 136 Ca -0.10 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3iwe n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwe s PRO 137 N -1.97 3.62 0.20 1.61 0.04 -1.26 0.51 135.00 137.74 3iwe s PRO 137 Ca 0.00 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 3iwe s PRO 137 Cb 0.00 -2.14 0.15 0.00 0.04 0.00 0.00 34.50 32.54 3iwe s PRO 137 CO 0.00 -0.62 1.53 0.28 0.04 0.00 0.00 177.00 178.23 3iwe h VAL 138 N 1.50 1.32 -3.95 -0.36 2.07 -1.84 -3.44 116.25 111.54 3iwe h VAL 138 Ca -0.50 -1.74 -0.16 0.00 0.82 0.00 0.00 66.70 65.12 3iwe h VAL 138 Cb 1.24 1.72 -0.20 0.00 -1.52 0.00 0.00 31.29 32.54 3iwe h VAL 138 CO 0.58 0.54 -0.66 -1.83 0.02 0.00 0.00 177.57 176.22 3iwe s GLU 139 N -4.05 0.39 0.88 1.57 -1.05 -1.26 -5.07 118.70 110.10 3iwe s GLU 139 Ca -0.07 -0.68 -0.11 0.00 -0.15 0.00 0.00 54.97 53.96 3iwe s GLU 139 Cb 0.12 0.14 0.12 0.00 -0.44 0.00 0.00 34.13 34.06 3iwe s GLU 139 CO 0.83 -0.07 1.09 -1.25 0.95 0.00 0.00 175.26 176.82 3iwe s PRO 140 N -1.84 1.41 0.37 -4.83 0.04 -1.26 -4.96 135.00 123.92 3iwe s PRO 140 Ca -0.12 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 3iwe s PRO 140 Cb -0.07 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 3iwe s PRO 140 CO -0.02 -2.16 1.22 -0.25 0.04 0.00 0.00 177.00 175.82 3iwe n ASP 141 N -3.85 2.36 -4.75 6.66 8.00 -1.26 -4.97 116.55 118.74 3iwe n ASP 141 Ca 0.08 1.16 -0.40 0.00 0.71 0.00 0.00 54.79 56.33 3iwe n ASP 141 Cb 0.55 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 3iwe n ASP 141 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iwe s LYS 142 N -1.95 4.82 0.07 -1.24 1.02 -1.26 -4.97 119.74 116.23 3iwe s LYS 142 Ca 0.58 1.53 0.22 0.00 0.02 0.00 0.00 55.97 58.33 3iwe s LYS 142 Cb -0.56 -3.27 -0.18 0.00 -0.52 0.00 0.00 37.83 33.30 3iwe s LYS 142 CO 0.60 0.46 0.73 -0.25 -0.92 0.00 0.00 175.35 175.98 3iwe n ASP 143 N 1.51 0.41 -3.97 2.83 8.00 -1.26 -4.87 116.55 119.20 3iwe n ASP 143 Ca -0.02 0.16 -0.19 0.00 0.71 0.00 0.00 54.79 55.45 3iwe n ASP 143 Cb 0.47 1.21 -0.15 0.00 -0.02 0.00 0.00 41.12 42.62 3iwe n ASP 143 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3iwe s ASN 144 N -4.97 1.02 -0.06 -2.24 -0.87 -1.26 -5.16 114.94 101.40 3iwe s ASN 144 Ca -0.05 -0.15 0.05 0.00 -1.57 0.00 0.00 52.86 51.15 3iwe s ASN 144 Cb 0.12 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.25 41.07 3iwe s ASN 144 CO 0.85 0.05 -0.24 -0.63 -2.57 0.00 0.00 177.10 174.56 3iwe s ILE 145 N 0.22 1.98 -0.14 0.60 -1.09 -1.26 -5.09 121.20 116.41 3iwe s ILE 145 Ca -0.03 -1.01 -0.38 0.00 -2.23 0.00 0.00 60.65 57.00 3iwe s ILE 145 Cb -0.08 -1.68 -0.15 0.00 -1.58 0.00 0.00 42.46 38.97 3iwe s ILE 145 CO 0.00 0.55 1.66 -1.14 -1.23 0.00 0.00 174.94 174.78 3iwe n ARG 146 N 3.09 1.37 0.15 2.79 0.63 -1.26 -4.88 116.66 118.56 3iwe n ARG 146 Ca -0.18 0.50 0.12 0.00 -0.92 0.00 0.00 57.85 57.37 3iwe n ARG 146 Cb 0.52 -2.20 0.11 0.00 0.45 0.00 0.00 32.46 31.34 3iwe n ARG 146 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3iwe h GLN 147 N 6.84 0.00 -5.90 -0.14 4.20 -1.99 -3.47 115.11 114.65 3iwe h GLN 147 Ca -0.47 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.57 3iwe h GLN 147 Cb 1.31 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.98 3iwe h GLN 147 CO 0.91 0.00 -0.57 -1.21 -0.67 0.00 0.00 178.83 177.29 3iwe s GLU 148 N -3.27 3.12 0.61 1.46 8.01 -1.26 -5.08 118.70 122.29 3iwe s GLU 148 Ca 0.04 -0.36 -0.19 0.00 0.01 0.00 0.00 54.97 54.46 3iwe s GLU 148 Cb 0.08 -2.91 -0.03 0.00 -4.31 0.00 0.00 34.13 26.96 3iwe s GLU 148 CO 0.72 0.71 1.25 -2.30 0.01 0.00 0.00 175.26 175.65 3iwe n PRO 149 N 1.80 1.26 -1.76 0.39 -0.02 -1.26 -4.97 135.00 130.43 3iwe n PRO 149 Ca -0.17 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 3iwe n PRO 149 Cb 0.54 -2.48 0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3iwe n PRO 149 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3iwe s TYR 150 N -1.37 2.22 0.08 6.00 1.51 -1.26 -4.97 117.35 119.55 3iwe s TYR 150 Ca 0.78 1.53 -0.30 0.00 -1.01 0.00 0.00 57.07 58.07 3iwe s TYR 150 Cb -0.40 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 37.88 3iwe s TYR 150 CO 0.44 -2.49 1.05 0.99 -1.11 0.00 0.00 175.55 174.43 3iwe s THR 151 N -1.69 4.36 0.33 -0.71 2.01 -1.26 -5.03 115.64 113.65 3iwe s THR 151 Ca 0.77 1.83 0.01 0.00 0.31 0.00 0.00 61.69 64.62 3iwe s THR 151 Cb -0.31 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 3iwe s THR 151 CO 0.39 0.22 0.52 -0.76 -0.69 0.00 0.00 174.62 174.29 3iwe s LEU 152 N 0.45 4.06 0.65 4.42 1.43 -1.26 -5.04 118.68 123.39 3iwe s LEU 152 Ca 0.52 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 3iwe s LEU 152 Cb -0.25 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3iwe s LEU 152 CO 0.30 -0.26 0.85 -2.65 0.23 0.00 0.00 176.35 174.82 3iwe n PRO 153 N -1.72 0.64 -1.66 1.29 -0.02 -1.26 -4.87 135.00 127.41 3iwe n PRO 153 Ca -0.05 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3iwe n PRO 153 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3iwe n PRO 153 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3iwe n GLN 154 N -1.12 1.71 -0.16 -0.52 7.27 -1.26 -2.49 117.38 120.81 3iwe n GLN 154 Ca 0.13 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3iwe n GLN 154 Cb 0.48 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 30.95 3iwe n GLN 154 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iwe n GLY 155 N 0.98 0.93 3.40 1.69 0.00 -1.26 -5.05 105.19 105.87 3iwe n GLY 155 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3iwe n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwe s PHE 156 N -2.53 2.19 0.01 1.61 0.40 -1.04 -0.39 117.98 118.24 3iwe s PHE 156 Ca 0.00 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.90 3iwe s PHE 156 Cb 0.00 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 3iwe s PHE 156 CO 0.00 0.44 0.07 -0.08 0.70 0.00 0.00 175.22 176.36 3iwe s THR 157 N -1.64 0.10 0.43 0.64 -1.32 -0.28 -4.82 115.64 108.74 3iwe s THR 157 Ca 0.18 -0.82 -0.24 0.00 -1.21 0.00 0.00 61.69 59.61 3iwe s THR 157 Cb -0.08 -0.43 -0.08 0.00 -1.51 0.00 0.00 72.50 70.41 3iwe s THR 157 CO 0.09 -0.45 1.17 0.26 -2.21 0.00 0.00 174.62 173.48 3iwe s TRP 158 N -1.55 2.96 -0.18 9.09 0.52 -1.26 -1.12 118.94 127.39 3iwe s TRP 158 Ca -0.14 1.54 -0.07 0.00 0.02 0.00 0.00 56.10 57.45 3iwe s TRP 158 Cb -0.08 -3.40 0.08 0.00 -1.15 0.00 0.00 33.47 28.92 3iwe s TRP 158 CO 0.00 -1.45 0.39 0.34 0.02 0.00 0.00 176.95 176.24 3iwe s ASP 159 N -1.23 -0.22 -0.04 2.95 2.15 -0.12 -4.85 116.67 115.31 3iwe s ASP 159 Ca 0.60 0.89 -0.30 0.00 0.43 0.00 0.00 52.55 54.17 3iwe s ASP 159 Cb -0.30 1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 43.37 3iwe s ASP 159 CO 0.37 -0.22 1.14 0.00 -0.17 0.00 0.00 175.17 176.29 3iwe s ALA 160 N 2.25 3.42 -0.28 3.66 0.00 -1.26 -0.88 121.76 128.68 3iwe s ALA 160 Ca -0.03 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3iwe s ALA 160 Cb -0.11 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3iwe s ALA 160 CO -0.12 -0.62 0.58 -0.51 0.00 0.00 0.00 175.76 175.09 3iwe s LEU 161 N 1.85 4.09 -0.72 0.00 1.43 -0.51 -4.94 118.68 119.88 3iwe s LEU 161 Ca 0.54 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.93 3iwe s LEU 161 Cb -0.24 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.27 3iwe s LEU 161 CO 0.23 -0.38 1.14 -0.62 0.23 0.00 0.00 176.35 176.95 3iwe s ASP 162 N 1.56 6.20 0.00 2.29 -1.08 -1.26 -4.83 116.67 119.55 3iwe s ASP 162 Ca 0.24 -0.82 0.25 0.00 -0.52 0.00 0.00 52.55 51.70 3iwe s ASP 162 Cb -0.15 -2.49 1.15 0.00 -1.46 0.00 0.00 42.92 39.96 3iwe s ASP 162 CO 0.10 -1.61 1.81 0.18 0.52 0.00 0.00 175.17 176.17 3iwe n LEU 163 N 8.46 0.00 0.00 -1.34 4.77 -1.26 -1.55 117.00 126.09 3iwe n LEU 163 Ca 0.02 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 3iwe n LEU 163 Cb 0.47 -0.40 0.62 0.00 -2.33 0.00 0.00 43.42 41.78 3iwe n LEU 163 CO 0.67 -0.07 0.95 0.61 -1.33 0.00 0.00 177.39 178.22 3iwe n GLY 164 N 0.93 -1.39 3.63 -0.72 0.00 -1.26 -4.55 105.19 101.83 3iwe n GLY 164 Ca 0.09 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3iwe n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iwe s ASP 165 N -2.90 6.46 0.22 1.61 2.15 -0.59 -4.99 116.67 118.63 3iwe s ASP 165 Ca 0.16 0.56 -0.08 0.00 0.43 0.00 0.00 52.55 53.62 3iwe s ASP 165 Cb 0.18 -2.28 0.31 0.00 -0.30 0.00 0.00 42.92 40.84 3iwe s ASP 165 CO 0.48 -0.24 1.74 -0.09 -0.17 0.00 0.00 175.17 176.89 3iwe h ARG 166 N 7.83 0.41 -0.61 4.34 9.65 -1.86 -0.80 114.38 133.34 3iwe h ARG 166 Ca -0.31 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 3iwe h ARG 166 Cb 1.15 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.61 3iwe h ARG 166 CO 0.72 0.27 0.29 0.78 2.80 0.00 0.00 179.97 184.83 3iwe h GLY 167 N 0.42 0.94 1.00 2.80 0.00 -1.94 -1.91 103.07 104.39 3iwe h GLY 167 Ca 0.33 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3iwe h GLY 167 CO -0.33 0.45 -0.33 -2.08 0.00 0.00 0.00 176.54 174.25 3iwe h VAL 168 N 0.83 1.30 -0.87 4.60 2.07 -1.68 -2.16 116.25 120.34 3iwe h VAL 168 Ca 0.21 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.25 3iwe h VAL 168 Cb 0.12 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3iwe h VAL 168 CO -0.03 0.48 0.56 0.25 0.02 0.00 0.00 177.57 178.86 3iwe h LEU 169 N 0.49 0.93 -1.11 2.57 5.85 -1.07 -1.71 115.31 121.26 3iwe h LEU 169 Ca 0.04 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3iwe h LEU 169 Cb 0.91 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3iwe h LEU 169 CO 0.08 0.64 -0.10 0.50 -0.34 0.00 0.00 178.44 179.22 3iwe h LYS 170 N 1.09 0.52 -0.71 1.25 1.63 -1.19 -0.35 116.57 118.80 3iwe h LYS 170 Ca 0.35 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3iwe h LYS 170 Cb 0.00 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3iwe h LYS 170 CO -0.12 0.62 0.36 0.93 -3.45 0.00 0.00 179.45 177.79 3iwe h GLU 171 N 0.48 1.02 -0.29 1.90 5.08 -0.67 -0.43 114.58 121.67 3iwe h GLU 171 Ca 0.09 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3iwe h GLU 171 Cb 0.46 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3iwe h GLU 171 CO 0.03 0.79 -0.12 1.25 -1.00 0.00 0.00 179.01 179.95 3iwe h LEU 172 N 0.99 0.61 -0.51 1.33 5.85 -0.98 -1.16 115.31 121.44 3iwe h LEU 172 Ca 0.25 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.67 3iwe h LEU 172 Cb 0.09 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 3iwe h LEU 172 CO -0.03 0.87 -0.14 0.22 -0.34 0.00 0.00 178.44 179.01 3iwe h TYR 173 N 0.34 -0.32 -0.34 1.25 3.20 -0.84 -1.04 116.97 119.22 3iwe h TYR 173 Ca 0.07 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3iwe h TYR 173 Cb 0.63 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3iwe h TYR 173 CO 0.06 -0.24 0.07 1.15 -1.64 0.00 0.00 178.16 177.56 3iwe h THR 174 N -0.02 1.23 -0.29 1.81 2.02 -0.90 0.26 112.91 117.01 3iwe h THR 174 Ca 0.24 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.70 3iwe h THR 174 Cb 0.39 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3iwe h THR 174 CO -0.53 0.26 -0.13 0.25 0.37 0.00 0.00 175.52 175.74 3iwe h LEU 175 N 0.40 -0.44 -0.25 2.58 5.85 -0.82 -1.70 115.31 120.92 3iwe h LEU 175 Ca 0.11 0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 3iwe h LEU 175 Cb 0.32 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3iwe h LEU 175 CO 0.00 -0.16 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.29 3iwe h LEU 176 N -0.08 0.95 -1.58 2.25 3.38 -1.00 -0.52 115.31 118.71 3iwe h LEU 176 Ca 0.15 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3iwe h LEU 176 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3iwe h LEU 176 CO -0.35 1.33 0.39 -1.13 0.09 0.00 0.00 178.44 178.77 3iwe h ASN 177 N 0.61 0.45 0.16 -0.43 -0.73 -0.28 -0.43 115.58 114.92 3iwe h ASN 177 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3iwe h ASN 177 Cb 1.20 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.70 3iwe h ASN 177 CO 0.13 0.28 -1.70 -0.62 -0.37 0.00 0.00 177.43 175.15 3iwe n GLU 178 N -4.48 0.56 0.00 6.67 1.02 -0.66 -4.69 120.64 119.07 3iwe n GLU 178 Ca 0.09 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3iwe n GLU 178 Cb 0.29 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3iwe n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iwe n ASN 179 N -2.22 0.32 -2.15 1.62 3.02 -0.22 -4.91 115.26 110.72 3iwe n ASN 179 Ca -0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3iwe n ASN 179 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3iwe n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwe n TYR 180 N -0.02 -0.93 -1.71 3.10 9.36 -0.19 -4.71 117.16 122.06 3iwe n TYR 180 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3iwe n TYR 180 Cb 0.21 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.89 3iwe n TYR 180 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3iwe n VAL 181 N -0.43 0.06 -4.34 2.97 0.31 -1.26 -4.78 118.33 110.85 3iwe n VAL 181 Ca 0.00 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 3iwe n VAL 181 Cb 0.00 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 30.85 3iwe n VAL 181 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3iwe s GLU 182 N 1.41 2.08 0.99 5.55 2.02 -1.26 -1.78 118.70 127.72 3iwe s GLU 182 Ca 0.76 -1.65 -0.13 0.00 0.02 0.00 0.00 54.97 53.97 3iwe s GLU 182 Cb -0.51 -1.98 0.18 0.00 0.10 0.00 0.00 34.13 31.93 3iwe s GLU 182 CO 0.33 0.24 1.12 0.16 0.02 0.00 0.00 175.26 177.13 3iwe s ASP 183 N -3.67 2.74 0.47 -0.19 -4.77 -0.80 -4.94 116.67 105.52 3iwe s ASP 183 Ca 0.33 0.98 0.12 0.00 -3.30 0.00 0.00 52.55 50.68 3iwe s ASP 183 Cb -0.03 -1.53 1.08 0.00 -1.09 0.00 0.00 42.92 41.36 3iwe s ASP 183 CO 0.19 -3.03 2.10 0.44 0.70 0.00 0.00 175.17 175.56 3iwe h ASP 184 N -1.83 0.18 -0.42 2.11 3.32 -2.01 -2.63 116.42 115.15 3iwe h ASP 184 Ca -0.52 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3iwe h ASP 184 Cb 1.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3iwe h ASP 184 CO 0.56 0.15 0.00 0.47 -1.72 0.00 0.00 179.24 178.70 3iwe n ASP 185 N -4.49 2.36 -3.86 6.45 8.00 -1.26 -4.93 116.55 118.81 3iwe n ASP 185 Ca -0.01 -1.97 -0.27 0.00 0.71 0.00 0.00 54.79 53.25 3iwe n ASP 185 Cb 0.09 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 40.93 3iwe n ASP 185 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iwe n ASN 186 N 0.78 -2.62 -0.06 -2.24 3.02 -0.99 -4.88 115.26 108.28 3iwe n ASN 186 Ca 0.15 -0.85 -0.05 0.00 -0.03 0.00 0.00 54.58 53.80 3iwe n ASN 186 Cb 0.38 -3.74 -0.09 0.00 -0.61 0.00 0.00 39.78 35.72 3iwe n ASN 186 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3iwe n MET 187 N -4.47 2.09 -4.29 3.52 2.81 -1.26 -4.82 117.12 110.70 3iwe n MET 187 Ca -0.14 -0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.57 3iwe n MET 187 Cb 0.61 -1.29 -0.14 0.00 -0.71 0.00 0.00 33.22 31.68 3iwe n MET 187 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3iwe s PHE 188 N -2.29 0.84 -0.02 2.03 0.08 -1.26 -1.12 117.98 116.23 3iwe s PHE 188 Ca -0.06 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.76 3iwe s PHE 188 Cb 0.03 -0.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3iwe s PHE 188 CO 0.47 -0.01 -0.03 0.50 -0.10 0.00 0.00 175.22 176.05 3iwe s ARG 189 N -0.64 0.47 0.29 0.44 3.52 -0.63 -1.90 118.95 120.50 3iwe s ARG 189 Ca 0.01 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.26 3iwe s ARG 189 Cb -0.05 -0.53 -0.13 0.00 -1.56 0.00 0.00 34.95 32.67 3iwe s ARG 189 CO 0.00 -0.04 1.23 1.19 -0.81 0.00 0.00 175.30 176.87 3iwe n PHE 190 N 3.72 1.91 -3.24 5.12 0.99 -0.73 0.31 117.46 125.54 3iwe n PHE 190 Ca -0.22 0.58 -0.25 0.00 -0.00 0.00 0.00 57.45 57.55 3iwe n PHE 190 Cb 0.53 -2.37 -0.06 0.00 -1.00 0.00 0.00 39.48 36.58 3iwe n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3iwe n ASP 191 N 1.29 2.79 -4.71 4.37 2.03 0.18 -4.54 116.55 117.96 3iwe n ASP 191 Ca 0.08 -3.28 -0.42 0.00 0.52 0.00 0.00 54.79 51.69 3iwe n ASP 191 Cb 0.33 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 3iwe n ASP 191 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3iwe s TYR 192 N -2.39 2.54 0.67 -0.67 1.51 -1.26 -4.28 117.35 113.47 3iwe s TYR 192 Ca 0.41 0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 56.50 3iwe s TYR 192 Cb 0.20 -4.17 -0.00 0.00 -0.11 0.00 0.00 41.96 37.88 3iwe s TYR 192 CO -0.07 -4.61 1.06 -1.54 -1.11 0.00 0.00 175.55 169.28 3iwe s SER 193 N 1.91 5.46 0.27 2.29 1.04 -1.26 -4.86 113.70 118.54 3iwe s SER 193 Ca 0.78 1.70 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 3iwe s SER 193 Cb -0.48 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 63.56 3iwe s SER 193 CO 0.34 -1.39 1.88 -0.65 0.98 0.00 0.00 173.24 174.40 3iwe h PRO 194 N -0.34 1.12 -0.34 4.02 0.11 -1.93 -0.54 132.00 134.08 3iwe h PRO 194 Ca -0.45 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3iwe h PRO 194 Cb 1.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3iwe h PRO 194 CO 0.57 0.74 -0.28 0.93 -0.21 0.00 0.00 178.00 179.74 3iwe h GLU 195 N 1.15 0.72 -0.50 1.05 3.07 -1.98 -2.04 114.58 116.04 3iwe h GLU 195 Ca 0.44 -0.31 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3iwe h GLU 195 Cb 0.21 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3iwe h GLU 195 CO -0.18 0.92 0.20 0.35 -1.40 0.00 0.00 179.01 178.89 3iwe h PHE 196 N 0.61 0.76 -0.91 4.33 3.57 -1.77 -2.30 116.94 121.24 3iwe h PHE 196 Ca 0.08 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iwe h PHE 196 Cb 0.79 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3iwe h PHE 196 CO 0.04 0.63 0.57 -0.07 -2.23 0.00 0.00 178.31 177.25 3iwe h LEU 197 N 0.67 1.07 -0.76 0.59 3.38 -0.79 0.12 115.31 119.59 3iwe h LEU 197 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3iwe h LEU 197 Cb 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3iwe h LEU 197 CO -0.01 0.80 0.45 -0.07 0.09 0.00 0.00 178.44 179.70 3iwe h LEU 198 N 1.24 0.92 -0.14 1.67 3.38 -1.24 -0.12 115.31 121.03 3iwe h LEU 198 Ca 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3iwe h LEU 198 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3iwe h LEU 198 CO -0.07 0.72 0.06 -0.25 0.09 0.00 0.00 178.44 179.00 3iwe h TRP 199 N 1.04 0.20 0.00 1.13 7.01 -0.77 -0.75 115.95 123.81 3iwe h TRP 199 Ca 0.27 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.18 3iwe h TRP 199 Cb -0.02 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 3iwe h TRP 199 CO -0.01 0.24 -0.40 0.00 -2.79 0.00 0.00 178.44 175.49 3iwe h ALA 200 N 0.93 1.09 0.00 2.65 0.00 -0.59 -3.34 119.26 120.01 3iwe h ALA 200 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iwe h ALA 200 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iwe h ALA 200 CO -0.01 0.50 -0.85 1.28 0.00 0.00 0.00 179.25 180.17 3iwe n LEU 201 N -3.70 0.39 -2.49 0.00 4.77 -0.08 -4.58 117.00 111.31 3iwe n LEU 201 Ca -0.01 -0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 55.35 3iwe n LEU 201 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3iwe n LEU 201 CO 0.38 0.10 0.18 0.54 -1.33 0.00 0.00 177.39 177.25 3iwe n ARG 202 N -1.47 3.38 -1.50 3.23 1.74 -0.29 -4.85 116.66 116.89 3iwe n ARG 202 Ca 0.01 -4.49 -0.29 0.00 -0.77 0.00 0.00 57.85 52.31 3iwe n ARG 202 Cb 0.22 -2.23 0.17 0.00 -1.02 0.00 0.00 32.46 29.60 3iwe n ARG 202 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iwe s PRO 203 N -3.53 0.52 0.20 5.56 0.04 -1.26 -4.87 135.00 131.66 3iwe s PRO 203 Ca 0.48 0.09 -0.32 0.00 0.04 0.00 0.00 61.00 61.28 3iwe s PRO 203 Cb 0.40 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 33.01 3iwe s PRO 203 CO -0.18 -2.58 1.35 -2.30 0.04 0.00 0.00 177.00 173.33 3iwe n PRO 204 N -3.99 1.71 -0.66 0.56 -0.02 -1.26 -1.85 135.00 129.50 3iwe n PRO 204 Ca 0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3iwe n PRO 204 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3iwe n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwe n GLY 205 N 2.31 0.79 3.67 -1.23 0.00 -1.26 -4.76 105.19 104.71 3iwe n GLY 205 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3iwe n GLY 205 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iwe n TRP 206 N -2.17 1.52 -5.00 1.61 4.27 -0.77 -4.67 117.44 112.23 3iwe n TRP 206 Ca 0.00 0.45 -0.27 0.00 -3.89 0.00 0.00 57.50 53.78 3iwe n TRP 206 Cb 0.00 -2.24 -0.16 0.00 -1.36 0.00 0.00 31.31 27.55 3iwe n TRP 206 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iwe s LEU 207 N -2.63 2.02 0.28 5.67 1.43 -1.26 -5.05 118.68 119.14 3iwe s LEU 207 Ca 0.74 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3iwe s LEU 207 Cb -0.43 -1.07 0.38 0.00 0.03 0.00 0.00 46.19 45.10 3iwe s LEU 207 CO 0.48 0.24 1.88 1.55 0.23 0.00 0.00 176.35 180.73 3iwe h PRO 208 N 5.75 1.01 0.00 1.29 0.13 -1.95 -2.25 132.00 135.97 3iwe h PRO 208 Ca -0.38 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3iwe h PRO 208 Cb 1.15 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3iwe h PRO 208 CO 0.48 0.77 0.00 -0.56 -0.23 0.00 0.00 178.00 178.46 3iwe h GLN 209 N 1.01 0.00 -0.20 0.86 -0.00 -1.96 -2.31 115.11 112.51 3iwe h GLN 209 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 3iwe h GLN 209 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3iwe h GLN 209 CO -0.03 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.71 3iwe n TRP 210 N -2.57 0.26 -3.51 0.06 8.01 -0.84 -4.33 117.44 114.51 3iwe n TRP 210 Ca 0.01 -0.13 -0.41 0.00 -1.31 0.00 0.00 57.50 55.66 3iwe n TRP 210 Cb 0.22 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.48 3iwe n TRP 210 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3iwe s HIS 211 N -1.74 3.83 -0.51 -5.99 3.76 -0.87 -1.60 115.29 112.17 3iwe s HIS 211 Ca 0.30 -2.61 -0.16 0.00 -0.15 0.00 0.00 55.06 52.43 3iwe s HIS 211 Cb 0.16 -3.52 0.10 0.00 1.11 0.00 0.00 32.58 30.43 3iwe s HIS 211 CO 0.24 -0.87 0.47 0.00 -0.85 0.00 0.00 174.74 173.72 3iwe s GLY 213 N 3.13 1.24 -0.09 0.00 0.00 -0.06 -1.37 107.32 110.17 3iwe s GLY 213 Ca 0.05 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.55 3iwe s GLY 213 CO 0.05 -1.26 -0.17 0.14 0.00 0.00 0.00 173.10 171.86 3iwe s VAL 214 N -1.99 1.52 0.15 1.40 1.01 0.03 -0.94 120.40 121.58 3iwe s VAL 214 Ca 0.34 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3iwe s VAL 214 Cb -0.09 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3iwe s VAL 214 CO 0.29 0.44 -0.24 -0.13 0.00 0.00 0.00 175.10 175.46 3iwe s ARG 215 N 0.64 1.36 0.08 2.72 0.52 -0.27 -0.56 118.95 123.43 3iwe s ARG 215 Ca -0.14 -1.37 -0.31 0.00 -0.52 0.00 0.00 55.73 53.39 3iwe s ARG 215 Cb -0.16 -1.70 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 3iwe s ARG 215 CO 0.04 0.38 1.25 0.08 0.02 0.00 0.00 175.30 177.07 3iwe s VAL 216 N -1.40 3.84 0.16 3.52 1.01 -0.17 -1.13 120.40 126.23 3iwe s VAL 216 Ca 0.15 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 3iwe s VAL 216 Cb -0.09 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3iwe s VAL 216 CO 0.07 0.10 1.81 0.58 0.00 0.00 0.00 175.10 177.66 3iwe h VAL 217 N 4.44 1.12 0.15 2.92 2.07 -1.04 0.11 116.25 126.01 3iwe h VAL 217 Ca -0.42 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3iwe h VAL 217 Cb 1.21 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3iwe h VAL 217 CO 0.82 0.11 -0.07 0.77 0.02 0.00 0.00 177.57 179.23 3iwe h SER 218 N 0.57 -0.17 1.59 0.57 4.64 -1.93 -3.35 113.55 115.47 3iwe h SER 218 Ca 0.16 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3iwe h SER 218 Cb -0.05 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3iwe h SER 218 CO -0.03 0.40 -0.42 0.77 -0.87 0.00 0.00 176.83 176.68 3iwe h SER 219 N -0.86 0.00 0.00 4.97 4.64 -1.95 -3.47 113.55 116.87 3iwe h SER 219 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3iwe h SER 219 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3iwe h SER 219 CO 0.03 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 3iwe n ARG 220 N -3.00 -0.24 -1.74 4.77 5.12 0.38 -4.99 116.66 116.96 3iwe n ARG 220 Ca 0.02 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 3iwe n ARG 220 Cb 0.59 -3.31 -0.03 0.00 -1.16 0.00 0.00 32.46 28.55 3iwe n ARG 220 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3iwe s LYS 221 N -0.43 4.12 -0.06 5.56 2.20 -1.25 -4.51 119.74 125.37 3iwe s LYS 221 Ca 0.00 2.60 -0.30 0.00 -0.36 0.00 0.00 55.97 57.92 3iwe s LYS 221 Cb 0.00 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 3iwe s LYS 221 CO 0.00 -0.73 1.30 -1.17 -0.36 0.00 0.00 175.35 174.40 3iwe s LEU 222 N 0.75 4.27 0.00 5.43 2.96 -1.26 -1.00 118.68 129.82 3iwe s LEU 222 Ca 0.72 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3iwe s LEU 222 Cb -0.49 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.64 3iwe s LEU 222 CO 0.36 -0.68 0.23 1.33 -1.32 0.00 0.00 176.35 176.27 3iwe n VAL 223 N 4.85 0.00 -3.51 1.68 0.24 0.27 -4.87 118.33 117.00 3iwe n VAL 223 Ca 0.13 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 3iwe n VAL 223 Cb 0.45 1.38 -0.05 0.00 -1.47 0.00 0.00 33.84 34.15 3iwe n VAL 223 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iwe s GLY 224 N -0.09 -0.57 0.00 7.63 0.00 -1.07 -1.10 107.32 112.12 3iwe s GLY 224 Ca 0.00 1.08 -0.24 0.00 0.00 0.00 0.00 44.72 45.55 3iwe s GLY 224 CO 0.00 0.73 0.54 -0.12 0.00 0.00 0.00 173.10 174.25 3iwe s PHE 225 N -1.80 -0.47 -0.04 1.90 5.36 -0.44 -0.79 117.98 121.70 3iwe s PHE 225 Ca -0.08 0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 56.31 3iwe s PHE 225 Cb -0.00 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 43.06 3iwe s PHE 225 CO 0.04 -0.59 0.55 -1.50 -1.46 0.00 0.00 175.22 172.26 3iwe s ILE 226 N -1.81 0.02 0.04 3.12 2.07 -0.47 -1.13 121.20 123.04 3iwe s ILE 226 Ca -0.09 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3iwe s ILE 226 Cb -0.01 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 3iwe s ILE 226 CO 0.03 -0.09 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.98 3iwe s SER 227 N -1.21 0.64 -0.01 4.50 1.04 -0.78 -1.38 113.70 116.50 3iwe s SER 227 Ca -0.12 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 55.73 3iwe s SER 227 Cb -0.02 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 3iwe s SER 227 CO 0.08 -0.31 -0.14 0.00 0.98 0.00 0.00 173.24 173.85 3iwe s ALA 228 N -1.93 1.18 0.08 5.32 0.00 -0.63 -2.24 121.76 123.55 3iwe s ALA 228 Ca -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3iwe s ALA 228 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3iwe s ALA 228 CO -0.02 0.29 -0.17 0.96 0.00 0.00 0.00 175.76 176.82 3iwe s ILE 229 N -0.37 1.35 0.42 0.00 -4.36 -0.75 -4.74 121.20 112.75 3iwe s ILE 229 Ca 0.05 -1.38 -0.23 0.00 -0.26 0.00 0.00 60.65 58.84 3iwe s ILE 229 Cb -0.06 -1.26 -0.09 0.00 1.25 0.00 0.00 42.46 42.30 3iwe s ILE 229 CO -0.00 -0.14 1.02 -2.16 0.24 0.00 0.00 174.94 173.89 3iwe s PRO 230 N -1.76 4.12 -0.21 0.37 0.04 -1.26 -0.48 135.00 135.83 3iwe s PRO 230 Ca 0.01 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 3iwe s PRO 230 Cb -0.10 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 32.10 3iwe s PRO 230 CO 0.03 -0.16 0.53 0.00 0.04 0.00 0.00 177.00 177.44 3iwe s ALA 231 N -1.82 -1.34 -0.20 8.56 0.00 -0.43 -4.79 121.76 121.74 3iwe s ALA 231 Ca 0.60 1.65 -0.22 0.00 0.00 0.00 0.00 51.96 53.98 3iwe s ALA 231 Cb -0.18 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3iwe s ALA 231 CO 0.23 -0.27 0.70 -0.80 0.00 0.00 0.00 175.76 175.61 3iwe s ASN 232 N 0.73 6.75 -0.10 0.00 0.01 -1.26 -0.32 114.94 120.75 3iwe s ASN 232 Ca -0.04 0.92 0.04 0.00 -0.71 0.00 0.00 52.86 53.07 3iwe s ASN 232 Cb -0.05 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3iwe s ASN 232 CO -0.05 -0.33 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.34 3iwe s ILE 233 N 2.11 2.03 -0.25 0.60 -1.09 -0.38 0.17 121.20 124.39 3iwe s ILE 233 Ca 0.31 -0.99 -0.13 0.00 -2.23 0.00 0.00 60.65 57.61 3iwe s ILE 233 Cb -0.16 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 3iwe s ILE 233 CO 0.10 0.55 0.28 -2.28 -1.23 0.00 0.00 174.94 172.37 3iwe s HIS 234 N 0.43 3.27 -0.19 3.97 2.46 -0.02 -0.91 115.29 124.30 3iwe s HIS 234 Ca -0.17 0.33 -0.00 0.00 0.47 0.00 0.00 55.06 55.68 3iwe s HIS 234 Cb -0.18 -2.45 0.05 0.00 -0.13 0.00 0.00 32.58 29.88 3iwe s HIS 234 CO 0.07 -0.11 -0.04 -1.50 -2.47 0.00 0.00 174.74 170.69 3iwe s ILE 235 N 1.65 1.20 0.00 0.89 1.10 0.64 -1.43 121.20 125.24 3iwe s ILE 235 Ca 0.12 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.42 3iwe s ILE 235 Cb -0.15 -1.45 0.00 0.00 0.15 0.00 0.00 42.46 41.01 3iwe s ILE 235 CO 0.09 0.01 0.00 -1.22 -2.11 0.00 0.00 174.94 171.71 3iwe n TYR 236 N 4.82 0.00 -0.10 3.50 4.01 0.21 -1.70 117.16 127.90 3iwe n TYR 236 Ca -0.12 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.67 3iwe n TYR 236 Cb 0.46 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.75 3iwe n TYR 236 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iwe n ASP 237 N 4.16 3.80 -4.07 7.72 8.00 -1.26 -4.89 116.55 130.00 3iwe n ASP 237 Ca 0.00 -2.50 -0.24 0.00 0.71 0.00 0.00 54.79 52.76 3iwe n ASP 237 Cb 0.00 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.37 3iwe n ASP 237 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iwe s THR 238 N -2.01 1.19 -0.19 -3.53 2.01 -0.69 -5.12 115.64 107.31 3iwe s THR 238 Ca 0.34 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 3iwe s THR 238 Cb 0.25 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3iwe s THR 238 CO 0.12 0.35 0.05 -0.70 -0.69 0.00 0.00 174.62 173.75 3iwe s GLU 239 N 0.21 3.87 0.03 4.92 2.12 -1.26 -0.26 118.70 128.33 3iwe s GLU 239 Ca -0.06 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 54.95 3iwe s GLU 239 Cb -0.12 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 3iwe s GLU 239 CO 0.02 0.19 -0.22 0.15 -0.54 0.00 0.00 175.26 174.86 3iwe s LYS 240 N 0.57 1.56 -0.07 4.30 -0.14 -0.08 -4.97 119.74 120.90 3iwe s LYS 240 Ca 0.02 -0.95 -0.30 0.00 -1.36 0.00 0.00 55.97 53.38 3iwe s LYS 240 Cb -0.13 -1.65 -0.03 0.00 -1.68 0.00 0.00 37.83 34.33 3iwe s LYS 240 CO 0.01 0.43 1.30 0.21 -0.76 0.00 0.00 175.35 176.55 3iwe s LYS 241 N -1.06 4.29 0.30 1.68 2.47 -1.26 -1.24 119.74 124.91 3iwe s LYS 241 Ca 0.09 1.78 0.03 0.00 -1.56 0.00 0.00 55.97 56.31 3iwe s LYS 241 Cb -0.09 -3.66 -0.01 0.00 -1.46 0.00 0.00 37.83 32.61 3iwe s LYS 241 CO 0.01 -0.59 0.11 -1.33 0.16 0.00 0.00 175.35 173.72 3iwe n MET 242 N 5.81 0.67 -4.40 4.03 2.81 0.57 -4.51 117.12 122.09 3iwe n MET 242 Ca 0.13 -2.57 -0.23 0.00 -1.81 0.00 0.00 57.70 53.22 3iwe n MET 242 Cb 0.45 1.41 -0.11 0.00 -0.71 0.00 0.00 33.22 34.26 3iwe n MET 242 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3iwe s VAL 243 N -2.69 2.14 -0.19 2.03 -7.23 -1.09 -1.32 120.40 112.04 3iwe s VAL 243 Ca 0.16 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 3iwe s VAL 243 Cb 0.01 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 3iwe s VAL 243 CO 0.11 -0.32 0.03 -1.61 -0.31 0.00 0.00 175.10 173.00 3iwe s GLU 244 N -3.06 3.82 -0.17 4.82 2.02 0.37 -1.14 118.70 125.35 3iwe s GLU 244 Ca 0.22 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.70 3iwe s GLU 244 Cb -0.05 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3iwe s GLU 244 CO 0.10 0.17 0.11 0.42 0.02 0.00 0.00 175.26 176.08 3iwe s ILE 245 N 0.62 5.25 0.18 -1.63 -1.09 -0.87 -1.81 121.20 121.86 3iwe s ILE 245 Ca 0.01 0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.41 3iwe s ILE 245 Cb -0.13 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3iwe s ILE 245 CO 0.02 0.50 0.46 0.21 -1.23 0.00 0.00 174.94 174.90 3iwe s ASN 246 N -0.03 -0.19 -1.48 3.58 3.84 -0.95 -4.56 114.94 115.15 3iwe s ASN 246 Ca 0.09 -0.56 -0.01 0.00 0.21 0.00 0.00 52.86 52.60 3iwe s ASN 246 Cb -0.12 0.54 0.00 0.00 -0.55 0.00 0.00 41.25 41.13 3iwe s ASN 246 CO 0.00 -1.01 0.08 0.49 -2.79 0.00 0.00 177.10 173.87 3iwe n PHE 247 N -0.31 -0.96 -1.93 0.43 3.01 -1.26 -1.87 117.46 114.58 3iwe n PHE 247 Ca -0.10 0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 3iwe n PHE 247 Cb 0.63 -3.58 -0.03 0.00 -0.01 0.00 0.00 39.48 36.49 3iwe n PHE 247 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iwe s LEU 248 N -5.17 4.36 -0.17 4.37 2.96 -1.26 -4.02 118.68 119.75 3iwe s LEU 248 Ca 0.04 2.42 -0.11 0.00 -0.22 0.00 0.00 54.13 56.27 3iwe s LEU 248 Cb -0.02 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.18 3iwe s LEU 248 CO 0.05 -0.92 0.43 0.00 -1.32 0.00 0.00 176.35 174.59 3iwe s VAL 250 N 1.19 1.57 0.30 0.00 1.01 -1.26 -1.33 120.40 121.89 3iwe s VAL 250 Ca -0.08 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 3iwe s VAL 250 Cb -0.07 -1.39 -0.14 0.00 0.00 0.00 0.00 36.38 34.78 3iwe s VAL 250 CO -0.11 0.45 1.05 1.57 0.00 0.00 0.00 175.10 178.07 3iwe n HIS 251 N 3.69 1.41 -0.33 5.22 -0.00 -0.26 -4.80 115.22 120.15 3iwe n HIS 251 Ca -0.21 0.68 0.20 0.00 0.46 0.00 0.00 57.72 58.84 3iwe n HIS 251 Cb 0.52 -2.27 0.45 0.00 -0.12 0.00 0.00 29.99 28.57 3iwe n HIS 251 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3iwe h LYS 252 N 2.04 0.48 0.00 1.57 1.57 -1.90 0.14 116.57 120.47 3iwe h LYS 252 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3iwe h LYS 252 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3iwe h LYS 252 CO 0.61 0.32 0.00 1.63 -0.57 0.00 0.00 179.45 181.44 3iwe n LYS 253 N -4.71 0.11 -0.10 3.15 5.02 -1.26 -2.69 118.16 117.68 3iwe n LYS 253 Ca 0.25 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.73 3iwe n LYS 253 Cb 0.79 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.40 3iwe n LYS 253 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iwe n LEU 254 N -1.42 2.45 -4.76 -0.35 4.77 0.48 -5.06 117.00 113.12 3iwe n LEU 254 Ca 0.07 -1.63 -0.35 0.00 -0.03 0.00 0.00 56.01 54.07 3iwe n LEU 254 Cb 0.20 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3iwe n LEU 254 CO 0.17 0.57 0.81 -0.13 -1.33 0.00 0.00 177.39 177.49 3iwe s ARG 255 N -0.94 2.94 -1.62 3.23 1.81 -1.10 -3.62 118.95 119.65 3iwe s ARG 255 Ca 0.17 1.71 0.00 0.00 -1.72 0.00 0.00 55.73 55.89 3iwe s ARG 255 Cb 0.10 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 3iwe s ARG 255 CO 0.13 -1.20 0.00 0.43 -0.68 0.00 0.00 175.30 173.98 3iwe n SER 256 N -1.77 -5.40 -0.43 0.23 7.64 -1.26 -4.89 113.62 107.74 3iwe n SER 256 Ca 0.13 0.01 0.09 0.00 1.01 0.00 0.00 58.87 60.11 3iwe n SER 256 Cb 0.50 -4.46 0.19 0.00 -1.01 0.00 0.00 64.21 59.44 3iwe n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iwe n LYS 257 N -2.77 2.02 -3.35 1.43 5.02 -1.24 -4.99 118.16 114.28 3iwe n LYS 257 Ca -0.22 -2.69 -0.24 0.00 -2.02 0.00 0.00 58.31 53.14 3iwe n LYS 257 Cb 0.67 -1.65 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3iwe n LYS 257 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwe n ARG 258 N -1.02 -5.03 0.10 1.97 5.12 -1.26 -4.91 116.66 111.64 3iwe n ARG 258 Ca 0.18 0.73 -0.18 0.00 -1.93 0.00 0.00 57.85 56.65 3iwe n ARG 258 Cb 0.75 -5.58 -0.12 0.00 -1.16 0.00 0.00 32.46 26.34 3iwe n ARG 258 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3iwe h VAL 259 N -1.58 1.41 -0.39 1.55 2.07 -1.94 -3.36 116.25 114.00 3iwe h VAL 259 Ca -0.52 -2.80 0.07 0.00 0.82 0.00 0.00 66.70 64.27 3iwe h VAL 259 Cb 1.35 2.83 -0.06 0.00 -1.52 0.00 0.00 31.29 33.89 3iwe h VAL 259 CO 0.58 0.83 0.04 0.00 0.02 0.00 0.00 177.57 179.03 3iwe h ALA 260 N 0.49 0.39 -0.67 1.67 0.00 -1.94 -0.83 119.26 118.36 3iwe h ALA 260 Ca -0.16 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3iwe h ALA 260 Cb 1.93 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 3iwe h ALA 260 CO 0.22 -0.36 0.44 -1.35 0.00 0.00 0.00 179.25 178.20 3iwe h PRO 261 N 0.15 0.47 -0.33 0.00 0.11 -1.99 -0.09 132.00 130.33 3iwe h PRO 261 Ca 0.19 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3iwe h PRO 261 Cb 0.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3iwe h PRO 261 CO -0.29 0.31 -0.18 0.28 -0.21 0.00 0.00 178.00 177.92 3iwe h VAL 262 N 0.49 1.29 -0.52 3.15 2.07 -1.33 -0.52 116.25 120.87 3iwe h VAL 262 Ca 0.31 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3iwe h VAL 262 Cb 0.56 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3iwe h VAL 262 CO -0.10 0.42 0.31 -0.07 0.02 0.00 0.00 177.57 178.15 3iwe h LEU 263 N 0.47 0.50 -0.29 2.57 3.38 -0.61 0.08 115.31 121.40 3iwe h LEU 263 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3iwe h LEU 263 Cb 0.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3iwe h LEU 263 CO 0.05 0.35 0.08 0.40 0.09 0.00 0.00 178.44 179.41 3iwe h ILE 264 N 0.61 1.21 -0.72 1.22 2.04 -0.91 -1.37 117.51 119.59 3iwe h ILE 264 Ca 0.21 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3iwe h ILE 264 Cb 0.03 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3iwe h ILE 264 CO -0.10 0.23 0.27 0.03 0.00 0.00 0.00 178.15 178.58 3iwe h ARG 265 N 0.31 1.08 -0.33 2.37 3.08 -0.96 -1.19 114.38 118.74 3iwe h ARG 265 Ca 0.09 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3iwe h ARG 265 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3iwe h ARG 265 CO -0.00 0.89 -0.15 1.49 -1.07 0.00 0.00 179.97 181.13 3iwe h GLU 266 N 1.06 0.68 -0.50 0.04 4.57 -0.84 -1.11 114.58 118.48 3iwe h GLU 266 Ca 0.24 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3iwe h GLU 266 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3iwe h GLU 266 CO -0.02 0.89 -0.00 0.97 -1.18 0.00 0.00 179.01 179.67 3iwe h ILE 267 N 0.45 1.25 -0.25 2.32 6.09 -1.17 -1.00 117.51 125.20 3iwe h ILE 267 Ca 0.07 -1.04 0.03 0.00 -1.37 0.00 0.00 64.86 62.55 3iwe h ILE 267 Cb 0.68 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 38.81 3iwe h ILE 267 CO 0.05 0.37 0.08 0.74 -3.07 0.00 0.00 178.15 176.32 3iwe h THR 268 N 0.78 0.93 -0.28 2.19 2.02 -1.04 -0.68 112.91 116.83 3iwe h THR 268 Ca 0.15 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.30 3iwe h THR 268 Cb 0.48 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3iwe h THR 268 CO 0.02 0.04 0.07 -0.09 0.37 0.00 0.00 175.52 175.92 3iwe h ARG 269 N 0.19 0.17 -0.11 6.66 2.43 -0.94 0.85 114.38 123.63 3iwe h ARG 269 Ca 0.11 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3iwe h ARG 269 Cb 0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3iwe h ARG 269 CO -0.12 0.11 -0.13 0.00 -1.51 0.00 0.00 179.97 178.32 3iwe h ARG 270 N 0.17 0.18 0.04 0.20 3.08 -0.81 -1.62 114.38 115.62 3iwe h ARG 270 Ca 0.13 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 3iwe h ARG 270 Cb 0.12 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.16 3iwe h ARG 270 CO -0.16 0.31 -0.71 0.28 -1.07 0.00 0.00 179.97 178.63 3iwe h VAL 271 N 0.17 1.43 -0.99 2.04 2.07 -0.83 -3.24 116.25 116.90 3iwe h VAL 271 Ca 0.04 -2.21 0.15 0.00 0.82 0.00 0.00 66.70 65.49 3iwe h VAL 271 Cb 0.34 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.75 3iwe h VAL 271 CO 0.02 0.64 0.62 0.45 0.02 0.00 0.00 177.57 179.32 3iwe h HIS 272 N -0.12 1.07 -0.10 1.57 3.86 -0.54 -0.90 115.15 119.99 3iwe h HIS 272 Ca -0.10 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3iwe h HIS 272 Cb 1.44 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 3iwe h HIS 272 CO 0.15 0.35 0.09 -0.07 0.86 0.00 0.00 177.93 179.32 3iwe h LEU 273 N 0.87 0.00 -1.82 2.43 3.38 -1.32 -1.18 115.31 117.66 3iwe h LEU 273 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3iwe h LEU 273 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iwe h LEU 273 CO -0.30 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.61 3iwe n GLU 274 N -4.07 2.15 -1.35 1.13 -0.58 -0.35 -4.93 120.64 112.64 3iwe n GLU 274 Ca -0.01 -1.78 -0.03 0.00 -0.42 0.00 0.00 57.16 54.92 3iwe n GLU 274 Cb 0.20 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 3iwe n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iwe n GLY 275 N 1.30 0.50 3.44 0.62 0.00 -0.44 -5.04 105.19 105.56 3iwe n GLY 275 Ca 0.17 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3iwe n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwe s ILE 276 N -2.11 3.45 0.00 -0.61 1.01 -1.17 -5.01 121.20 116.76 3iwe s ILE 276 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3iwe s ILE 276 Cb 0.00 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.00 3iwe s ILE 276 CO 0.00 0.52 0.58 0.49 0.00 0.00 0.00 174.94 176.53 3iwe n PHE 277 N 3.43 0.00 -4.23 3.97 3.72 -1.26 -3.57 117.46 119.52 3iwe n PHE 277 Ca -0.18 -0.16 -0.20 0.00 -0.05 0.00 0.00 57.45 56.86 3iwe n PHE 277 Cb 0.53 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 3iwe n PHE 277 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iwe s GLN 278 N -0.33 0.98 0.05 -1.08 1.11 -1.26 -4.66 119.66 114.47 3iwe s GLN 278 Ca 0.00 -1.12 -0.05 0.00 0.01 0.00 0.00 55.36 54.19 3iwe s GLN 278 Cb 0.00 -1.01 -0.01 0.00 -1.01 0.00 0.00 33.01 30.98 3iwe s GLN 278 CO 0.00 0.22 0.09 0.00 0.01 0.00 0.00 175.29 175.60 3iwe s ALA 279 N -1.59 0.02 0.00 6.09 0.00 -1.15 -2.69 121.76 122.44 3iwe s ALA 279 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3iwe s ALA 279 Cb -0.08 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3iwe s ALA 279 CO 0.03 -0.36 -0.26 0.54 0.00 0.00 0.00 175.76 175.71 3iwe s VAL 280 N -3.10 2.04 0.10 0.00 0.11 -0.29 -0.45 120.40 118.81 3iwe s VAL 280 Ca -0.01 -1.19 -0.18 0.00 -2.93 0.00 0.00 61.98 57.68 3iwe s VAL 280 Cb 0.02 -1.71 0.04 0.00 -1.53 0.00 0.00 36.38 33.20 3iwe s VAL 280 CO -0.07 0.49 0.44 -0.72 -3.33 0.00 0.00 175.10 171.91 3iwe s TYR 281 N -0.67 -0.28 0.14 1.54 -0.85 -0.71 -2.05 117.35 114.47 3iwe s TYR 281 Ca 0.10 0.08 0.09 0.00 -0.52 0.00 0.00 57.07 56.82 3iwe s TYR 281 Cb -0.10 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 3iwe s TYR 281 CO 0.00 -0.68 -0.21 0.95 -1.52 0.00 0.00 175.55 174.09 3iwe s THR 282 N -3.33 1.90 0.06 -3.49 -4.23 -1.26 -0.59 115.64 104.69 3iwe s THR 282 Ca -0.00 -1.76 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 3iwe s THR 282 Cb 0.01 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.09 3iwe s THR 282 CO -0.09 -0.14 0.34 0.00 -0.54 0.00 0.00 174.62 174.20 3iwe s ALA 283 N -1.52 -0.79 -1.71 3.99 0.00 -0.63 -4.98 121.76 116.13 3iwe s ALA 283 Ca 0.12 0.05 0.29 0.00 0.00 0.00 0.00 51.96 52.42 3iwe s ALA 283 Cb -0.08 0.40 1.27 0.00 0.00 0.00 0.00 23.12 24.71 3iwe s ALA 283 CO 0.06 -0.47 1.88 0.41 0.00 0.00 0.00 175.76 177.65 3iwe n GLY 284 N 0.39 -0.90 3.72 0.00 0.00 -1.26 -0.43 105.19 106.70 3iwe n GLY 284 Ca -0.18 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3iwe n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iwe s VAL 285 N -2.42 3.97 -0.17 1.61 -7.23 -1.26 -4.73 120.40 110.17 3iwe s VAL 285 Ca 0.31 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 58.82 3iwe s VAL 285 Cb 0.20 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3iwe s VAL 285 CO 0.46 -0.18 0.78 -0.69 -0.31 0.00 0.00 175.10 175.15 3iwe s VAL 286 N -1.88 4.93 0.14 1.32 1.01 -1.26 -4.78 120.40 119.87 3iwe s VAL 286 Ca 0.30 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.81 3iwe s VAL 286 Cb -0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3iwe s VAL 286 CO 0.21 0.06 -0.04 -0.76 0.00 0.00 0.00 175.10 174.57 3iwe s LEU 287 N 1.99 2.34 0.04 3.92 1.43 -1.26 -5.11 118.68 122.03 3iwe s LEU 287 Ca 0.36 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 3iwe s LEU 287 Cb -0.16 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.87 3iwe s LEU 287 CO 0.12 -0.48 1.54 -2.84 0.23 0.00 0.00 176.35 174.92 3iwe s PRO 288 N -3.85 4.23 -0.02 1.29 0.02 -1.26 -3.49 135.00 131.92 3iwe s PRO 288 Ca 0.18 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.37 3iwe s PRO 288 Cb 0.05 -3.59 0.03 0.00 0.02 0.00 0.00 34.50 31.01 3iwe s PRO 288 CO 0.00 -0.67 0.03 0.21 -0.33 0.00 0.00 177.00 176.24 3iwe s LYS 289 N 2.55 -0.01 0.33 5.54 2.20 -1.25 -4.77 119.74 124.33 3iwe s LYS 289 Ca 0.69 0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 3iwe s LYS 289 Cb -0.36 -0.31 -0.11 0.00 -1.51 0.00 0.00 37.83 35.54 3iwe s LYS 289 CO 0.30 -0.18 1.52 -2.14 -0.36 0.00 0.00 175.35 174.49 3iwe s PRO 290 N 1.19 4.14 0.18 4.03 0.02 -1.23 -4.71 135.00 138.63 3iwe s PRO 290 Ca -0.08 2.54 0.23 0.00 0.02 0.00 0.00 61.00 63.71 3iwe s PRO 290 Cb -0.13 -3.01 0.13 0.00 0.02 0.00 0.00 34.50 31.51 3iwe s PRO 290 CO -0.03 -0.55 1.16 -0.24 -0.33 0.00 0.00 177.00 177.00 3iwe h VAL 291 N 3.21 0.00 -1.94 3.83 3.04 -0.90 -3.45 116.25 120.03 3iwe h VAL 291 Ca -0.49 -0.81 -0.04 0.00 -1.01 0.00 0.00 66.70 64.35 3iwe h VAL 291 Cb 1.23 1.35 -0.20 0.00 -2.01 0.00 0.00 31.29 31.66 3iwe h VAL 291 CO 0.72 0.00 0.23 -0.83 -1.01 0.00 0.00 177.57 176.68 3iwe s GLY 292 N -4.10 -0.53 -0.12 3.17 0.00 -1.20 -0.35 107.32 104.18 3iwe s GLY 292 Ca 0.02 1.52 0.01 0.00 0.00 0.00 0.00 44.72 46.27 3iwe s GLY 292 CO 0.76 1.10 -0.13 -1.59 0.00 0.00 0.00 173.10 173.24 3iwe s THR 293 N -0.93 1.39 0.27 0.90 2.01 -1.26 -0.76 115.64 117.25 3iwe s THR 293 Ca -0.08 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.49 3iwe s THR 293 Cb -0.01 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 3iwe s THR 293 CO 0.08 0.42 -0.11 0.00 -0.69 0.00 0.00 174.62 174.32 3iwe s ARG 295 N -3.58 2.35 0.24 0.00 1.81 -1.26 -0.50 118.95 118.01 3iwe s ARG 295 Ca 0.31 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 53.17 3iwe s ARG 295 Cb -0.06 -2.02 -0.09 0.00 -0.45 0.00 0.00 34.95 32.33 3iwe s ARG 295 CO 0.17 0.37 1.05 0.71 -0.68 0.00 0.00 175.30 176.92 3iwe s TYR 296 N -0.18 3.71 0.15 -0.53 2.02 -1.15 -2.12 117.35 119.26 3iwe s TYR 296 Ca -0.02 1.75 0.10 0.00 -0.37 0.00 0.00 57.07 58.53 3iwe s TYR 296 Cb -0.13 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 3iwe s TYR 296 CO 0.03 -0.23 -0.22 -1.58 -1.57 0.00 0.00 175.55 171.98 3iwe s TRP 297 N -0.94 2.01 -0.03 2.71 0.52 0.53 -0.05 118.94 123.69 3iwe s TRP 297 Ca 0.44 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 56.19 3iwe s TRP 297 Cb -0.29 -1.04 -0.00 0.00 -1.15 0.00 0.00 33.47 30.99 3iwe s TRP 297 CO 0.37 0.34 -0.13 -1.01 0.02 0.00 0.00 176.95 176.54 3iwe s HIS 298 N -1.57 1.28 -0.30 -1.98 3.76 0.50 -1.71 115.29 115.28 3iwe s HIS 298 Ca 0.14 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 3iwe s HIS 298 Cb -0.08 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.78 3iwe s HIS 298 CO 0.07 -0.11 -0.00 0.50 -0.85 0.00 0.00 174.74 174.34 3iwe s ARG 299 N 0.05 2.46 0.20 1.40 3.00 0.69 0.33 118.95 127.08 3iwe s ARG 299 Ca -0.02 -1.25 -0.31 0.00 -1.00 0.00 0.00 55.73 53.15 3iwe s ARG 299 Cb -0.09 -3.18 -0.11 0.00 0.00 0.00 0.00 34.95 31.57 3iwe s ARG 299 CO 0.01 -0.61 1.60 0.45 0.00 0.00 0.00 175.30 176.76 3iwe s SER 300 N 1.26 6.50 -0.07 -2.12 0.15 -1.26 -1.27 113.70 116.90 3iwe s SER 300 Ca -0.05 2.74 0.04 0.00 0.70 0.00 0.00 55.95 59.39 3iwe s SER 300 Cb -0.20 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.44 3iwe s SER 300 CO -0.01 -0.87 -0.00 0.18 1.20 0.00 0.00 173.24 173.74 3iwe n LEU 301 N 3.55 0.85 -3.46 3.45 4.77 -0.68 -4.82 117.00 120.66 3iwe n LEU 301 Ca 0.13 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.83 3iwe n LEU 301 Cb 0.38 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3iwe n LEU 301 CO 0.62 0.30 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.69 3iwe n ASN 302 N -2.38 2.18 -0.04 -1.43 2.85 -0.55 -4.98 115.26 110.92 3iwe n ASN 302 Ca -0.12 -3.07 0.01 0.00 -0.11 0.00 0.00 54.58 51.29 3iwe n ASN 302 Cb 0.69 -0.67 0.32 0.00 1.24 0.00 0.00 39.78 41.37 3iwe n ASN 302 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iwe h PRO 303 N 4.56 0.61 -0.48 1.20 0.13 -1.88 -2.25 132.00 133.90 3iwe h PRO 303 Ca 0.17 -0.09 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3iwe h PRO 303 Cb 0.77 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 3iwe h PRO 303 CO 0.66 0.52 0.29 -0.09 -0.23 0.00 0.00 178.00 179.15 3iwe h ARG 304 N 0.61 0.56 -0.44 0.86 2.43 -1.95 0.02 114.38 116.46 3iwe h ARG 304 Ca 0.15 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3iwe h ARG 304 Cb 0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3iwe h ARG 304 CO -0.01 0.37 0.01 -0.22 -1.51 0.00 0.00 179.97 178.61 3iwe h LYS 305 N 0.57 0.77 -0.45 0.20 3.64 -1.89 -1.83 116.57 117.58 3iwe h LYS 305 Ca 0.19 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3iwe h LYS 305 Cb 0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3iwe h LYS 305 CO -0.09 0.82 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.84 3iwe h LEU 306 N 0.61 0.72 -0.19 5.20 3.38 -0.98 -1.34 115.31 122.71 3iwe h LEU 306 Ca 0.13 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3iwe h LEU 306 Cb 0.47 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3iwe h LEU 306 CO 0.02 0.80 -0.33 0.40 0.09 0.00 0.00 178.44 179.42 3iwe h ILE 307 N 0.70 1.34 -0.80 1.22 2.04 -1.01 0.18 117.51 121.17 3iwe h ILE 307 Ca 0.14 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.48 3iwe h ILE 307 Cb 0.45 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 3iwe h ILE 307 CO 0.02 0.48 0.51 -0.08 0.00 0.00 0.00 178.15 179.08 3iwe h GLU 308 N 0.23 0.96 -0.10 2.37 4.57 -0.98 -1.65 114.58 119.98 3iwe h GLU 308 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3iwe h GLU 308 Cb 0.92 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3iwe h GLU 308 CO 0.08 0.63 0.00 1.33 -1.18 0.00 0.00 179.01 179.87 3iwe n VAL 309 N -4.60 0.12 -2.18 0.32 0.24 -0.53 -4.93 118.33 106.76 3iwe n VAL 309 Ca 0.10 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.34 61.97 3iwe n VAL 309 Cb 0.10 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 3iwe n VAL 309 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iwe n LYS 310 N 0.05 -1.31 -0.01 7.34 4.76 -0.62 -4.89 118.16 123.49 3iwe n LYS 310 Ca 0.17 0.85 -0.10 0.00 -2.87 0.00 0.00 58.31 56.37 3iwe n LYS 310 Cb 0.28 -5.25 0.05 0.00 -1.84 0.00 0.00 35.03 28.28 3iwe n LYS 310 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3iwe h PHE 311 N 0.00 0.74 -2.90 2.13 3.57 -1.24 -3.46 116.94 115.79 3iwe h PHE 311 Ca -0.39 -0.26 -0.46 0.00 3.53 0.00 0.00 57.97 60.39 3iwe h PHE 311 Cb 1.26 -0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.72 3iwe h PHE 311 CO 0.45 0.99 -0.62 -1.54 -2.23 0.00 0.00 178.31 175.36 3iwe s SER 312 N -6.91 2.33 0.14 0.41 1.04 -0.81 -5.01 113.70 104.88 3iwe s SER 312 Ca -0.08 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.08 3iwe s SER 312 Cb 0.11 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 3iwe s SER 312 CO 0.84 -0.58 -0.17 -1.38 0.98 0.00 0.00 173.24 172.94 3iwe s HIS 313 N -3.29 1.64 0.13 5.02 -3.43 -1.26 -4.20 115.29 109.89 3iwe s HIS 313 Ca 0.35 -0.50 -0.32 0.00 -0.80 0.00 0.00 55.06 53.80 3iwe s HIS 313 Cb 0.08 -0.84 -0.11 0.00 -1.43 0.00 0.00 32.58 30.28 3iwe s HIS 313 CO 0.14 0.24 1.82 1.28 -2.00 0.00 0.00 174.74 176.22 3iwe n LEU 314 N 0.49 3.99 -4.67 5.38 4.77 -1.26 -4.97 117.00 120.73 3iwe n LEU 314 Ca -0.15 1.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.46 3iwe n LEU 314 Cb 0.57 -1.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 3iwe n LEU 314 CO 0.27 0.15 0.72 -0.24 -1.33 0.00 0.00 177.39 176.97 3iwe n SER 315 N 5.43 1.29 -0.20 -1.43 2.88 -1.26 -4.92 113.62 115.41 3iwe n SER 315 Ca 0.18 0.76 0.01 0.00 -1.33 0.00 0.00 58.87 58.49 3iwe n SER 315 Cb 0.36 -1.48 0.12 0.00 -0.75 0.00 0.00 64.21 62.46 3iwe n SER 315 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3iwe h ARG 316 N 0.16 0.27 -0.55 -1.46 2.47 -2.02 -2.04 114.38 111.20 3iwe h ARG 316 Ca -0.49 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3iwe h ARG 316 Cb 1.34 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3iwe h ARG 316 CO 0.50 0.18 0.00 0.09 0.56 0.00 0.00 179.97 181.30 3iwe n ASN 317 N -5.12 4.83 -4.28 7.04 5.03 -1.26 -4.95 115.26 116.55 3iwe n ASN 317 Ca 0.09 -2.65 -0.32 0.00 0.87 0.00 0.00 54.58 52.57 3iwe n ASN 317 Cb 0.33 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.35 3iwe n ASN 317 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3iwe s MET 318 N -2.22 2.93 0.78 3.52 1.00 -0.77 -5.13 119.30 119.42 3iwe s MET 318 Ca 0.49 -0.83 -0.10 0.00 0.00 0.00 0.00 55.69 55.25 3iwe s MET 318 Cb 0.35 -2.33 0.08 0.00 0.00 0.00 0.00 34.83 32.92 3iwe s MET 318 CO 0.19 0.28 1.12 0.95 0.00 0.00 0.00 175.02 177.56 3iwe s THR 319 N 0.12 2.10 0.18 2.05 -4.23 -1.26 -4.42 115.64 110.18 3iwe s THR 319 Ca -0.11 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 3iwe s THR 319 Cb -0.16 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.77 3iwe s THR 319 CO 0.06 0.00 1.83 -0.03 -0.54 0.00 0.00 174.62 175.94 3iwe h MET 320 N -0.92 0.78 -0.42 3.99 4.05 -1.99 -1.51 114.93 118.92 3iwe h MET 320 Ca -0.45 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 58.94 3iwe h MET 320 Cb 1.32 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.91 3iwe h MET 320 CO 0.62 0.55 0.20 0.37 0.23 0.00 0.00 176.91 178.87 3iwe h GLN 321 N 0.78 0.38 -0.82 0.39 4.15 -1.99 0.46 115.11 118.46 3iwe h GLN 321 Ca 0.21 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3iwe h GLN 321 Cb -0.04 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 3iwe h GLN 321 CO -0.04 0.25 0.48 -0.09 -1.93 0.00 0.00 178.83 177.50 3iwe h ARG 322 N 0.40 1.12 -0.24 1.69 9.65 -1.91 -1.79 114.38 123.30 3iwe h ARG 322 Ca 0.18 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3iwe h ARG 322 Cb 0.11 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3iwe h ARG 322 CO -0.14 0.80 -0.06 1.15 2.80 0.00 0.00 179.97 184.51 3iwe h THR 323 N 1.14 1.29 -0.64 0.20 2.02 -0.20 0.14 112.91 116.86 3iwe h THR 323 Ca 0.29 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3iwe h THR 323 Cb -0.02 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3iwe h THR 323 CO -0.05 0.33 0.34 0.24 0.37 0.00 0.00 175.52 176.76 3iwe h MET 324 N 0.21 0.88 0.09 6.66 2.86 -0.85 -1.79 114.93 122.98 3iwe h MET 324 Ca 0.06 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3iwe h MET 324 Cb 0.53 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3iwe h MET 324 CO 0.02 0.65 -0.04 -0.22 1.06 0.00 0.00 176.91 178.38 3iwe h LYS 325 N 0.89 -0.11 -0.74 1.72 3.64 -1.06 -2.35 116.57 118.56 3iwe h LYS 325 Ca 0.23 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.77 3iwe h LYS 325 Cb 0.03 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.77 3iwe h LYS 325 CO -0.04 0.16 0.19 1.25 -2.27 0.00 0.00 179.45 178.74 3iwe h LEU 326 N -0.38 0.04 -1.04 5.20 5.85 -0.43 -2.59 115.31 121.96 3iwe h LEU 326 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3iwe h LEU 326 Cb 0.32 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3iwe h LEU 326 CO 0.02 -0.03 -0.08 -1.22 -0.34 0.00 0.00 178.44 176.79 3iwe n TYR 327 N -5.14 0.00 -1.96 1.25 4.01 -0.70 -4.96 117.16 109.66 3iwe n TYR 327 Ca 0.14 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.48 3iwe n TYR 327 Cb 0.46 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 3iwe n TYR 327 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3iwe s ARG 328 N -2.13 4.17 0.17 -0.72 3.52 -0.89 -4.89 118.95 118.19 3iwe s ARG 328 Ca 0.32 2.37 0.09 0.00 -0.13 0.00 0.00 55.73 58.39 3iwe s ARG 328 Cb 0.20 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 3iwe s ARG 328 CO 0.38 -0.40 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.77 3iwe s LEU 329 N -2.04 2.44 0.75 -0.88 1.43 -1.26 -5.07 118.68 114.05 3iwe s LEU 329 Ca 0.52 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 3iwe s LEU 329 Cb -0.43 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 3iwe s LEU 329 CO 0.57 -0.01 0.74 -2.65 0.23 0.00 0.00 176.35 175.24 3iwe n PRO 330 N 0.28 0.30 0.18 1.29 -0.02 -1.26 -4.94 135.00 130.82 3iwe n PRO 330 Ca -0.13 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 3iwe n PRO 330 Cb 0.57 -2.03 0.12 0.00 -0.02 0.00 0.00 33.50 32.13 3iwe n PRO 330 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iwe h GLU 331 N -0.51 0.00 -4.17 -0.52 5.08 -2.00 -3.46 114.58 109.00 3iwe h GLU 331 Ca -0.46 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.73 3iwe h GLU 331 Cb 1.33 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.39 3iwe h GLU 331 CO 0.44 0.28 -0.70 0.95 -1.00 0.00 0.00 179.01 178.98 3iwe s THR 332 N -3.11 0.23 0.77 1.13 -4.23 -1.26 -4.92 115.64 104.25 3iwe s THR 332 Ca 0.05 -1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 3iwe s THR 332 Cb 0.07 -0.73 0.06 0.00 1.34 0.00 0.00 72.50 73.24 3iwe s THR 332 CO 0.71 -0.64 1.16 -2.84 -0.54 0.00 0.00 174.62 172.47 3iwe s PRO 333 N -2.28 1.98 -0.08 3.99 0.02 -1.26 -4.99 135.00 132.39 3iwe s PRO 333 Ca -0.07 1.57 0.18 0.00 0.02 0.00 0.00 61.00 62.70 3iwe s PRO 333 Cb -0.04 -1.83 -0.27 0.00 0.02 0.00 0.00 34.50 32.37 3iwe s PRO 333 CO -0.03 -1.91 0.30 0.36 -0.33 0.00 0.00 177.00 175.38 3iwe n LYS 334 N -3.15 0.76 -1.93 5.54 2.85 -1.26 -4.99 118.16 115.98 3iwe n LYS 334 Ca 0.12 -0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3iwe n LYS 334 Cb 0.51 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 3iwe n LYS 334 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3iwe s THR 335 N -3.03 2.85 0.14 0.58 2.01 -1.26 -4.92 115.64 112.02 3iwe s THR 335 Ca -0.08 0.48 -0.31 0.00 0.31 0.00 0.00 61.69 62.09 3iwe s THR 335 Cb 0.10 -3.31 -0.11 0.00 0.01 0.00 0.00 72.50 69.20 3iwe s THR 335 CO 0.78 0.02 1.77 0.00 -0.69 0.00 0.00 174.62 176.49 3iwe s ALA 336 N 1.92 3.81 0.00 7.40 0.00 -1.26 -3.02 121.76 130.62 3iwe s ALA 336 Ca 0.72 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.14 3iwe s ALA 336 Cb -0.42 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3iwe s ALA 336 CO 0.32 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3iwe n GLY 337 N 4.12 0.48 3.73 0.00 0.00 -1.26 -4.61 105.19 107.65 3iwe n GLY 337 Ca 0.17 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3iwe n GLY 337 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwe s LEU 338 N 0.00 4.40 0.15 0.99 2.96 -1.17 -1.43 118.68 124.58 3iwe s LEU 338 Ca 0.00 2.35 -0.19 0.00 -0.22 0.00 0.00 54.13 56.07 3iwe s LEU 338 Cb 0.00 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.14 3iwe s LEU 338 CO 0.00 -0.57 0.50 0.00 -1.32 0.00 0.00 176.35 174.97 3iwe s ARG 339 N 0.36 1.19 0.51 1.98 1.70 -0.44 -4.97 118.95 119.29 3iwe s ARG 339 Ca 0.59 -0.61 -0.22 0.00 -0.47 0.00 0.00 55.73 55.02 3iwe s ARG 339 Cb -0.36 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3iwe s ARG 339 CO 0.35 -0.50 1.32 -2.14 -1.08 0.00 0.00 175.30 173.25 3iwe s PRO 340 N -3.78 3.34 0.41 3.89 0.02 -1.26 -0.40 135.00 137.22 3iwe s PRO 340 Ca 0.02 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 62.93 3iwe s PRO 340 Cb 0.00 -2.34 -0.10 0.00 0.02 0.00 0.00 34.50 32.08 3iwe s PRO 340 CO -0.12 -1.00 1.47 -0.12 -0.33 0.00 0.00 177.00 176.91 3iwe n MET 341 N -0.80 2.52 -4.54 5.54 0.00 -0.24 -4.66 117.12 114.96 3iwe n MET 341 Ca 0.09 0.89 -0.25 0.00 -0.00 0.00 0.00 57.70 58.43 3iwe n MET 341 Cb 0.45 -2.67 -0.10 0.00 0.00 0.00 0.00 33.22 30.90 3iwe n MET 341 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3iwe s GLU 342 N -2.26 1.82 0.27 2.12 2.02 -1.26 -4.63 118.70 116.78 3iwe s GLU 342 Ca 0.56 -2.05 -0.00 0.00 0.02 0.00 0.00 54.97 53.50 3iwe s GLU 342 Cb -0.46 -1.12 0.53 0.00 0.10 0.00 0.00 34.13 33.18 3iwe s GLU 342 CO 0.61 -0.20 1.80 1.15 0.02 0.00 0.00 175.26 178.64 3iwe h THR 343 N 1.91 0.83 0.00 3.63 2.02 -2.03 -0.40 112.91 118.87 3iwe h THR 343 Ca -0.41 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3iwe h THR 343 Cb 1.25 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3iwe h THR 343 CO 0.72 0.14 0.00 0.07 0.37 0.00 0.00 175.52 176.82 3iwe h LYS 344 N 0.79 0.00 -0.00 6.66 2.10 -2.02 -2.39 116.57 121.72 3iwe h LYS 344 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3iwe h LYS 344 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3iwe h LYS 344 CO -0.31 0.00 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.57 3iwe n ASP 345 N -2.90 0.53 -0.04 7.07 8.00 -0.16 -4.45 116.55 124.59 3iwe n ASP 345 Ca -0.02 -0.31 -0.08 0.00 0.71 0.00 0.00 54.79 55.09 3iwe n ASP 345 Cb 0.11 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 3iwe n ASP 345 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iwe h ILE 346 N 0.31 0.47 -0.39 0.53 2.04 -1.50 -0.85 117.51 118.13 3iwe h ILE 346 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3iwe h ILE 346 Cb 0.48 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3iwe h ILE 346 CO 0.00 0.00 0.25 -0.65 0.00 0.00 0.00 178.15 177.75 3iwe h PRO 347 N -0.20 0.52 -0.14 2.37 0.11 -1.83 -1.62 132.00 131.21 3iwe h PRO 347 Ca 0.13 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 3iwe h PRO 347 Cb 0.40 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3iwe h PRO 347 CO -0.35 0.36 -0.39 -0.24 -0.21 0.00 0.00 178.00 177.17 3iwe h VAL 348 N 0.52 1.30 -0.57 3.15 3.04 -1.79 -0.57 116.25 121.33 3iwe h VAL 348 Ca 0.14 -1.50 -0.06 0.00 -1.01 0.00 0.00 66.70 64.27 3iwe h VAL 348 Cb -0.04 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 3iwe h VAL 348 CO -0.03 0.46 0.13 0.58 -1.01 0.00 0.00 177.57 177.70 3iwe h VAL 349 N 0.27 1.25 -0.21 1.51 2.07 -0.96 0.15 116.25 120.32 3iwe h VAL 349 Ca 0.03 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3iwe h VAL 349 Cb 0.82 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3iwe h VAL 349 CO 0.06 0.33 0.13 -0.74 0.02 0.00 0.00 177.57 177.38 3iwe h HIS 350 N 0.82 0.25 0.05 1.57 6.17 -0.94 -0.76 115.15 122.30 3iwe h HIS 350 Ca 0.18 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.28 3iwe h HIS 350 Cb 0.35 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.18 3iwe h HIS 350 CO 0.02 0.16 -0.11 0.37 0.71 0.00 0.00 177.93 179.08 3iwe h GLN 351 N 0.27 -0.20 -0.37 5.26 4.15 -0.77 -1.23 115.11 122.22 3iwe h GLN 351 Ca 0.08 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.56 3iwe h GLN 351 Cb -0.02 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3iwe h GLN 351 CO -0.02 -0.13 0.12 -0.07 -1.93 0.00 0.00 178.83 176.80 3iwe h LEU 352 N -0.21 0.12 -0.25 -2.39 3.38 -0.58 -2.41 115.31 112.97 3iwe h LEU 352 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3iwe h LEU 352 Cb 0.23 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iwe h LEU 352 CO -0.07 0.10 0.08 0.25 0.09 0.00 0.00 178.44 178.89 3iwe h LEU 353 N 0.27 0.37 -0.35 1.67 5.85 -0.99 -1.37 115.31 120.76 3iwe h LEU 353 Ca 0.17 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3iwe h LEU 353 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3iwe h LEU 353 CO -0.18 0.48 0.15 0.74 -0.34 0.00 0.00 178.44 179.29 3iwe h THR 354 N 0.24 0.95 -0.41 1.05 2.02 -1.08 -1.08 112.91 114.61 3iwe h THR 354 Ca 0.08 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 3iwe h THR 354 Cb 0.24 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3iwe h THR 354 CO -0.00 0.06 -0.21 0.03 0.37 0.00 0.00 175.52 175.77 3iwe h ARG 355 N 0.32 0.86 -0.90 6.66 3.08 -1.39 -3.17 114.38 119.83 3iwe h ARG 355 Ca 0.15 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3iwe h ARG 355 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3iwe h ARG 355 CO -0.13 1.02 0.56 -0.92 -1.07 0.00 0.00 179.97 179.43 3iwe h TYR 356 N 0.67 1.17 0.00 3.04 3.20 -0.92 -3.05 116.97 121.08 3iwe h TYR 356 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3iwe h TYR 356 Cb 0.77 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3iwe h TYR 356 CO 0.06 0.77 0.00 -0.07 -1.64 0.00 0.00 178.16 177.28 3iwe h LEU 357 N 1.23 0.00 -1.65 2.82 3.38 -1.17 -3.25 115.31 116.67 3iwe h LEU 357 Ca 0.32 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.44 3iwe h LEU 357 Cb -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3iwe h LEU 357 CO -0.06 0.00 0.48 0.11 0.09 0.00 0.00 178.44 179.06 3iwe h LYS 358 N 0.00 0.34 0.00 1.13 1.79 -1.58 -2.09 116.57 116.16 3iwe h LYS 358 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3iwe h LYS 358 Cb 0.51 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3iwe h LYS 358 CO 0.00 0.23 0.00 0.00 -1.08 0.00 0.00 179.45 178.60 3iwe n GLN 359 N -4.46 0.08 -3.38 3.15 10.64 -1.23 -4.79 117.38 117.39 3iwe n GLN 359 Ca 0.13 0.33 -0.19 0.00 -1.83 0.00 0.00 57.00 55.44 3iwe n GLN 359 Cb 0.53 -1.65 -0.01 0.00 -0.86 0.00 0.00 30.24 28.25 3iwe n GLN 359 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iwe s PHE 360 N -3.13 2.84 -0.58 2.61 0.08 -0.79 -5.00 117.98 114.02 3iwe s PHE 360 Ca 0.06 -0.39 0.18 0.00 0.12 0.00 0.00 56.93 56.90 3iwe s PHE 360 Cb 0.09 -2.16 -0.23 0.00 -0.57 0.00 0.00 43.02 40.15 3iwe s PHE 360 CO 0.31 -0.17 0.65 0.72 -0.10 0.00 0.00 175.22 176.63 3iwe n HIS 361 N -1.65 0.00 -3.71 0.36 8.25 -0.13 -4.82 115.22 113.52 3iwe n HIS 361 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 3iwe n HIS 361 Cb 0.60 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.41 3iwe n HIS 361 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iwe s LEU 362 N -3.32 1.25 0.06 2.41 2.96 -1.17 -0.61 118.68 120.25 3iwe s LEU 362 Ca 0.02 -1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 52.90 3iwe s LEU 362 Cb 0.13 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 3iwe s LEU 362 CO 0.75 -0.34 0.04 0.42 -1.32 0.00 0.00 176.35 175.90 3iwe s THR 363 N 1.86 0.19 0.48 3.68 -4.23 -0.52 -0.15 115.64 116.95 3iwe s THR 363 Ca 0.02 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 3iwe s THR 363 Cb -0.17 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.24 3iwe s THR 363 CO -0.14 -0.85 0.91 -2.16 -0.54 0.00 0.00 174.62 171.84 3iwe s PRO 364 N -3.68 3.87 -0.36 3.99 0.04 -1.26 -0.84 135.00 136.75 3iwe s PRO 364 Ca 0.04 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 3iwe s PRO 364 Cb 0.06 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.46 3iwe s PRO 364 CO -0.09 -0.20 0.10 0.08 0.04 0.00 0.00 177.00 176.93 3iwe s VAL 365 N -2.56 2.90 -0.14 -0.36 1.01 0.13 -4.77 120.40 116.61 3iwe s VAL 365 Ca 0.56 -1.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 3iwe s VAL 365 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3iwe s VAL 365 CO 0.32 -0.50 0.10 -0.04 0.00 0.00 0.00 175.10 174.98 3iwe s MET 366 N 1.10 3.59 0.94 2.72 -1.94 -1.26 -4.33 119.30 120.12 3iwe s MET 366 Ca 0.05 -0.23 -0.12 0.00 -1.71 0.00 0.00 55.69 53.68 3iwe s MET 366 Cb -0.21 -3.17 0.15 0.00 2.01 0.00 0.00 34.83 33.62 3iwe s MET 366 CO -0.05 0.59 1.12 -1.54 -0.01 0.00 0.00 175.02 175.13 3iwe s SER 367 N -0.51 3.20 0.30 3.03 1.04 -1.26 -4.85 113.70 114.65 3iwe s SER 367 Ca 0.11 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.64 3iwe s SER 367 Cb -0.12 -1.70 0.47 0.00 0.10 0.00 0.00 66.02 64.78 3iwe s SER 367 CO 0.02 -2.76 1.81 -0.61 0.98 0.00 0.00 173.24 172.68 3iwe h GLN 368 N -1.64 0.61 -0.71 4.02 4.15 -1.98 -1.09 115.11 118.47 3iwe h GLN 368 Ca -0.52 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 58.70 3iwe h GLN 368 Cb 1.33 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 3iwe h GLN 368 CO 0.60 0.66 0.27 0.93 -1.93 0.00 0.00 178.83 179.36 3iwe h GLU 369 N 0.57 1.08 -0.71 1.69 4.39 -1.99 -1.73 114.58 117.88 3iwe h GLU 369 Ca 0.11 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3iwe h GLU 369 Cb 0.44 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3iwe h GLU 369 CO 0.02 0.90 0.16 0.93 -1.16 0.00 0.00 179.01 179.86 3iwe h GLU 370 N 1.03 1.13 -0.54 2.33 5.08 -1.82 -2.07 114.58 119.73 3iwe h GLU 370 Ca 0.24 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3iwe h GLU 370 Cb 0.24 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3iwe h GLU 370 CO -0.02 1.00 0.32 0.28 -1.00 0.00 0.00 179.01 179.59 3iwe h VAL 371 N 1.07 1.17 -0.23 3.13 2.07 -0.99 0.52 116.25 122.99 3iwe h VAL 371 Ca 0.22 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3iwe h VAL 371 Cb 0.39 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3iwe h VAL 371 CO 0.00 0.18 -0.06 -0.08 0.02 0.00 0.00 177.57 177.63 3iwe h GLU 372 N 0.73 -0.01 -0.07 1.57 4.81 -1.22 -0.62 114.58 119.77 3iwe h GLU 372 Ca 0.19 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3iwe h GLU 372 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3iwe h GLU 372 CO -0.03 -0.00 0.02 1.25 -0.73 0.00 0.00 179.01 179.51 3iwe h HIS 373 N -0.01 0.03 0.00 0.92 2.76 -0.81 -1.57 115.15 116.48 3iwe h HIS 373 Ca 0.11 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3iwe h HIS 373 Cb 0.18 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3iwe h HIS 373 CO -0.24 0.01 -0.37 -1.49 -1.30 0.00 0.00 177.93 174.54 3iwe h TRP 374 N 0.05 0.00 0.00 5.26 -0.00 -0.75 -3.38 115.95 117.13 3iwe h TRP 374 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.88 3iwe h TRP 374 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.17 3iwe h TRP 374 CO -0.10 0.37 -1.24 1.19 -0.00 0.00 0.00 178.44 178.67 3iwe n PHE 375 N -3.28 0.00 -1.69 0.49 3.72 -0.25 -5.00 117.46 111.46 3iwe n PHE 375 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 3iwe n PHE 375 Cb 0.62 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 3iwe n PHE 375 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iwe n TYR 376 N -1.90 2.57 -1.76 1.38 9.36 -0.59 -4.32 117.16 121.90 3iwe n TYR 376 Ca -0.04 -0.12 -0.41 0.00 3.32 0.00 0.00 57.90 60.65 3iwe n TYR 376 Cb 0.37 -2.72 -0.01 0.00 -0.63 0.00 0.00 39.34 36.35 3iwe n TYR 376 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3iwe s PRO 377 N 2.79 4.11 -0.09 2.98 0.02 -1.26 -4.89 135.00 138.66 3iwe s PRO 377 Ca 0.83 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 64.44 3iwe s PRO 377 Cb -0.51 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.03 3iwe s PRO 377 CO 0.39 -0.65 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.73 3iwe s GLN 378 N -0.60 0.95 0.23 5.54 -0.21 -0.46 -5.00 119.66 120.13 3iwe s GLN 378 Ca 0.63 -0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.67 3iwe s GLN 378 Cb -0.48 -1.20 -0.13 0.00 1.00 0.00 0.00 33.01 32.20 3iwe s GLN 378 CO 0.49 -0.29 1.47 -1.91 -2.12 0.00 0.00 175.29 172.94 3iwe n GLU 379 N 5.07 2.18 -1.18 2.91 2.13 -1.26 -1.40 120.64 129.09 3iwe n GLU 379 Ca -0.09 0.78 -0.06 0.00 0.66 0.00 0.00 57.16 58.45 3iwe n GLU 379 Cb 0.50 -2.48 -0.03 0.00 0.27 0.00 0.00 31.44 29.71 3iwe n GLU 379 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3iwe n ASN 380 N 2.40 -4.82 0.07 4.31 3.02 -1.26 -4.76 115.26 114.22 3iwe n ASN 380 Ca 0.12 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3iwe n ASN 380 Cb 0.32 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 3iwe n ASN 380 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iwe n ILE 381 N -2.46 0.51 -3.79 2.41 5.41 -0.49 -4.65 119.36 116.30 3iwe n ILE 381 Ca -0.06 0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.72 3iwe n ILE 381 Cb 0.38 -0.96 -0.15 0.00 -0.71 0.00 0.00 39.64 38.20 3iwe n ILE 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3iwe s ILE 382 N -1.74 -0.04 -0.06 1.39 1.10 -0.56 -0.79 121.20 120.50 3iwe s ILE 382 Ca 0.00 0.15 0.06 0.00 -0.51 0.00 0.00 60.65 60.35 3iwe s ILE 382 Cb 0.00 -0.13 -0.01 0.00 0.15 0.00 0.00 42.46 42.47 3iwe s ILE 382 CO 0.00 0.06 -0.24 -1.81 -2.11 0.00 0.00 174.94 170.84 3iwe s ASP 383 N 0.82 3.14 -0.04 4.50 1.01 -0.46 -1.35 116.67 124.29 3iwe s ASP 383 Ca -0.07 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.71 3iwe s ASP 383 Cb -0.09 -0.83 0.02 0.00 1.01 0.00 0.00 42.92 43.03 3iwe s ASP 383 CO -0.03 0.25 -0.02 -0.89 0.21 0.00 0.00 175.17 174.69 3iwe s THR 384 N -0.21 0.34 -0.06 -1.27 2.01 -1.26 -1.42 115.64 113.76 3iwe s THR 384 Ca -0.02 -0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3iwe s THR 384 Cb -0.13 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 3iwe s THR 384 CO 0.03 0.18 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.57 3iwe s PHE 385 N 1.00 2.22 0.15 4.92 0.08 -0.05 -1.08 117.98 125.23 3iwe s PHE 385 Ca -0.10 -0.73 0.05 0.00 0.12 0.00 0.00 56.93 56.27 3iwe s PHE 385 Cb -0.14 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3iwe s PHE 385 CO -0.01 -0.26 0.10 0.14 -0.10 0.00 0.00 175.22 175.09 3iwe s VAL 386 N 0.06 4.33 -0.39 -0.44 -7.23 0.46 -0.90 120.40 116.30 3iwe s VAL 386 Ca -0.08 -1.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 3iwe s VAL 386 Cb -0.14 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.63 3iwe s VAL 386 CO 0.05 -0.07 0.28 -0.69 -0.31 0.00 0.00 175.10 174.35 3iwe s VAL 387 N -1.68 5.19 -0.37 1.32 1.01 0.14 -1.33 120.40 124.68 3iwe s VAL 387 Ca 0.30 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3iwe s VAL 387 Cb -0.10 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3iwe s VAL 387 CO 0.22 -0.23 0.23 -0.70 0.00 0.00 0.00 175.10 174.62 3iwe s GLU 388 N 1.68 3.04 0.35 2.72 2.12 -0.52 -1.36 118.70 126.73 3iwe s GLU 388 Ca 0.05 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 54.37 3iwe s GLU 388 Cb -0.19 -3.80 0.08 0.00 0.26 0.00 0.00 34.13 30.49 3iwe s GLU 388 CO 0.10 -0.64 0.44 0.27 -0.54 0.00 0.00 175.26 174.88 3iwe n ASN 389 N 5.06 -0.26 0.10 -1.70 0.23 -0.11 -4.33 115.26 114.25 3iwe n ASN 389 Ca -0.12 -1.07 0.10 0.00 -0.53 0.00 0.00 54.58 52.96 3iwe n ASN 389 Cb 0.47 -0.35 0.44 0.00 -2.08 0.00 0.00 39.78 38.27 3iwe n ASN 389 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iwe n ALA 390 N -3.37 1.55 1.10 -2.53 0.00 -1.26 -1.24 120.51 114.77 3iwe n ALA 390 Ca -0.07 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3iwe n ALA 390 Cb 0.20 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.51 3iwe n ALA 390 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iwe n ASN 391 N -2.05 1.20 0.00 0.00 4.13 -1.26 -4.96 115.26 112.32 3iwe n ASN 391 Ca 0.02 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.32 3iwe n ASN 391 Cb 0.18 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 3iwe n ASN 391 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iwe n GLY 392 N 1.41 0.69 3.76 7.41 0.00 -0.37 -5.06 105.19 113.03 3iwe n GLY 392 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3iwe n GLY 392 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iwe s GLU 393 N -0.36 4.19 -0.27 1.61 2.12 -1.26 -4.76 118.70 119.97 3iwe s GLU 393 Ca 0.00 0.32 -0.26 0.00 0.36 0.00 0.00 54.97 55.39 3iwe s GLU 393 Cb 0.00 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3iwe s GLU 393 CO 0.00 0.33 0.90 0.08 -0.54 0.00 0.00 175.26 176.03 3iwe s VAL 394 N 0.10 4.75 -0.09 3.70 1.01 -1.26 -0.94 120.40 127.67 3iwe s VAL 394 Ca 0.22 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.84 3iwe s VAL 394 Cb -0.15 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3iwe s VAL 394 CO 0.09 -0.20 0.12 0.35 0.00 0.00 0.00 175.10 175.46 3iwe n THR 395 N 5.43 0.00 -3.69 3.92 -2.24 -0.46 -5.01 114.28 112.22 3iwe n THR 395 Ca 0.07 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3iwe n THR 395 Cb 0.47 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3iwe n THR 395 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iwe s ASP 396 N -1.88 -0.20 0.01 3.42 1.11 -1.25 -3.09 116.67 114.79 3iwe s ASP 396 Ca 0.00 -0.19 -0.15 0.00 0.18 0.00 0.00 52.55 52.39 3iwe s ASP 396 Cb 0.03 0.41 0.02 0.00 1.07 0.00 0.00 42.92 44.45 3iwe s ASP 396 CO 0.15 -0.71 0.32 0.72 1.18 0.00 0.00 175.17 176.84 3iwe s PHE 397 N -2.96 -0.17 0.14 4.23 -0.12 -0.44 -0.68 117.98 117.98 3iwe s PHE 397 Ca -0.02 0.19 0.10 0.00 -0.05 0.00 0.00 56.93 57.15 3iwe s PHE 397 Cb 0.00 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3iwe s PHE 397 CO -0.06 -0.45 -0.24 -0.48 -0.05 0.00 0.00 175.22 173.94 3iwe s LEU 398 N -1.61 2.35 -0.03 -1.99 0.05 -0.07 -0.67 118.68 116.70 3iwe s LEU 398 Ca -0.10 -0.77 -0.12 0.00 0.05 0.00 0.00 54.13 53.19 3iwe s LEU 398 Cb -0.03 -1.10 0.02 0.00 -2.05 0.00 0.00 46.19 43.03 3iwe s LEU 398 CO 0.02 0.12 0.27 -0.94 -0.55 0.00 0.00 176.35 175.27 3iwe s SER 399 N -2.19 -0.17 -0.10 1.48 1.04 -1.09 -0.87 113.70 111.81 3iwe s SER 399 Ca 0.14 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.56 3iwe s SER 399 Cb -0.09 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.41 3iwe s SER 399 CO 0.06 -0.36 0.37 0.72 0.98 0.00 0.00 173.24 175.01 3iwe s PHE 400 N -1.02 -0.35 0.21 5.02 -0.12 -0.51 -1.41 117.98 119.80 3iwe s PHE 400 Ca -0.11 0.80 0.05 0.00 -0.05 0.00 0.00 56.93 57.63 3iwe s PHE 400 Cb -0.05 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 3iwe s PHE 400 CO 0.03 -0.27 0.23 1.52 -0.05 0.00 0.00 175.22 176.68 3iwe s TYR 401 N -0.28 3.24 -0.29 3.49 -0.85 -0.02 -1.36 117.35 121.29 3iwe s TYR 401 Ca -0.04 -0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.35 3iwe s TYR 401 Cb -0.03 -1.50 -0.04 0.00 0.38 0.00 0.00 41.96 40.77 3iwe s TYR 401 CO 0.02 0.50 0.25 0.99 -1.52 0.00 0.00 175.55 175.79 3iwe s THR 402 N -1.95 5.27 -0.30 -3.49 2.01 0.03 -0.77 115.64 116.45 3iwe s THR 402 Ca 0.33 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 3iwe s THR 402 Cb -0.09 -3.61 0.13 0.00 0.01 0.00 0.00 72.50 68.94 3iwe s THR 402 CO 0.26 0.18 0.26 -0.22 -0.69 0.00 0.00 174.62 174.40 3iwe s LEU 403 N 1.85 -0.01 0.63 4.42 2.96 -0.63 -4.76 118.68 123.14 3iwe s LEU 403 Ca 0.09 -0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 52.91 3iwe s LEU 403 Cb -0.16 0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.78 3iwe s LEU 403 CO 0.11 -0.39 1.04 -2.16 -1.32 0.00 0.00 176.35 173.62 3iwe s PRO 404 N 2.21 3.43 -0.07 0.98 0.04 -1.26 -3.56 135.00 136.77 3iwe s PRO 404 Ca 0.10 0.83 0.04 0.00 0.04 0.00 0.00 61.00 62.01 3iwe s PRO 404 Cb -0.15 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3iwe s PRO 404 CO -0.31 -0.70 -0.19 -1.12 0.04 0.00 0.00 177.00 174.71 3iwe s SER 405 N -3.98 3.55 0.25 6.66 0.01 0.13 -0.65 113.70 119.67 3iwe s SER 405 Ca 0.56 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 3iwe s SER 405 Cb -0.12 -1.03 -0.10 0.00 0.21 0.00 0.00 66.02 64.99 3iwe s SER 405 CO 0.53 0.25 1.36 -0.89 0.41 0.00 0.00 173.24 174.90 3iwe s THR 406 N -0.20 2.87 -0.39 1.44 2.01 0.15 -0.19 115.64 121.34 3iwe s THR 406 Ca -0.01 0.76 -0.15 0.00 0.31 0.00 0.00 61.69 62.60 3iwe s THR 406 Cb -0.13 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.90 3iwe s THR 406 CO 0.03 0.14 0.31 -0.63 -0.69 0.00 0.00 174.62 173.78 3iwe s ILE 407 N -0.27 5.23 0.33 1.82 1.01 -0.47 -1.60 121.20 127.25 3iwe s ILE 407 Ca 0.56 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 60.48 3iwe s ILE 407 Cb -0.39 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 3iwe s ILE 407 CO 0.44 -0.24 1.10 -0.04 0.00 0.00 0.00 174.94 176.19 3iwe s MET 408 N 1.79 4.43 -1.80 2.79 -1.94 -0.28 -4.07 119.30 120.24 3iwe s MET 408 Ca 0.07 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 3iwe s MET 408 Cb -0.18 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.71 3iwe s MET 408 CO 0.11 0.04 0.00 0.09 -0.01 0.00 0.00 175.02 175.25 3iwe n ASN 409 N 0.70 -5.31 -4.50 3.03 3.02 -1.26 -4.95 115.26 105.98 3iwe n ASN 409 Ca 0.01 0.21 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 3iwe n ASN 409 Cb 0.46 -4.55 -0.12 0.00 -0.61 0.00 0.00 39.78 34.96 3iwe n ASN 409 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3iwe s HIS 410 N -2.82 3.03 0.31 3.10 2.46 -1.26 -5.03 115.29 115.09 3iwe s HIS 410 Ca 0.00 -0.29 0.05 0.00 0.47 0.00 0.00 55.06 55.29 3iwe s HIS 410 Cb 0.00 -1.96 0.51 0.00 -0.13 0.00 0.00 32.58 31.00 3iwe s HIS 410 CO 0.00 -0.03 1.77 -1.35 -2.47 0.00 0.00 174.74 172.66 3iwe h PRO 411 N 6.69 0.37 0.00 2.88 0.11 -1.95 -3.39 132.00 136.72 3iwe h PRO 411 Ca -0.31 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iwe h PRO 411 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iwe h PRO 411 CO 0.63 0.60 -1.02 0.25 -0.21 0.00 0.00 178.00 178.25 3iwe n THR 412 N -4.14 0.02 -3.94 -1.15 -2.24 -1.26 -4.97 114.28 96.60 3iwe n THR 412 Ca -0.01 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3iwe n THR 412 Cb 0.38 -0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 3iwe n THR 412 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iwe s HIS 413 N -2.01 3.11 -0.02 4.78 3.76 -1.26 -4.98 115.29 118.67 3iwe s HIS 413 Ca -0.00 -0.30 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 3iwe s HIS 413 Cb 0.00 -2.15 -0.11 0.00 1.11 0.00 0.00 32.58 31.43 3iwe s HIS 413 CO 0.01 -0.19 0.15 1.63 -0.85 0.00 0.00 174.74 175.49 3iwe n LYS 414 N 4.35 0.53 -3.77 1.40 4.76 -1.26 -4.53 118.16 119.63 3iwe n LYS 414 Ca -0.17 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.09 3iwe n LYS 414 Cb 0.52 -1.18 -0.11 0.00 -1.84 0.00 0.00 35.03 32.42 3iwe n LYS 414 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3iwe s SER 415 N -2.98 -0.30 -0.23 4.39 0.15 -1.26 -1.36 113.70 112.10 3iwe s SER 415 Ca -0.03 0.59 -0.06 0.00 0.70 0.00 0.00 55.95 57.15 3iwe s SER 415 Cb 0.04 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 3iwe s SER 415 CO 0.31 -0.10 0.02 -0.22 1.20 0.00 0.00 173.24 174.44 3iwe s LEU 416 N 0.20 3.20 -0.40 3.45 0.20 0.74 -4.90 118.68 121.17 3iwe s LEU 416 Ca -0.00 -0.28 -0.22 0.00 0.69 0.00 0.00 54.13 54.32 3iwe s LEU 416 Cb -0.02 -1.84 0.01 0.00 -0.43 0.00 0.00 46.19 43.92 3iwe s LEU 416 CO -0.00 -0.01 0.69 -0.75 -0.29 0.00 0.00 176.35 175.99 3iwe s LYS 417 N 1.47 3.52 -0.03 1.98 2.20 -1.26 -0.70 119.74 126.92 3iwe s LYS 417 Ca 0.05 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.67 3iwe s LYS 417 Cb -0.15 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 3iwe s LYS 417 CO 0.01 -0.92 -0.23 0.00 -0.36 0.00 0.00 175.35 173.85 3iwe s ALA 418 N 2.94 2.30 -0.05 3.13 0.00 -1.23 -0.00 121.76 128.85 3iwe s ALA 418 Ca 0.26 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3iwe s ALA 418 Cb -0.14 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3iwe s ALA 418 CO 0.18 0.53 0.01 0.00 0.00 0.00 0.00 175.76 176.48 3iwe s ALA 419 N -0.61 3.31 -0.15 0.00 0.00 -0.70 -1.61 121.76 122.00 3iwe s ALA 419 Ca 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3iwe s ALA 419 Cb -0.10 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3iwe s ALA 419 CO -0.00 0.62 -0.20 0.71 0.00 0.00 0.00 175.76 176.88 3iwe s TYR 420 N -0.99 2.62 0.21 0.00 2.02 0.05 -0.09 117.35 121.18 3iwe s TYR 420 Ca 0.16 -1.41 -0.32 0.00 -0.37 0.00 0.00 57.07 55.14 3iwe s TYR 420 Cb -0.11 -1.80 -0.13 0.00 -0.40 0.00 0.00 41.96 39.51 3iwe s TYR 420 CO 0.06 -0.67 1.55 0.45 -1.57 0.00 0.00 175.55 175.37 3iwe n SER 421 N 4.30 3.23 0.00 2.29 2.88 0.19 -0.84 113.62 125.68 3iwe n SER 421 Ca -0.20 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3iwe n SER 421 Cb 0.51 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3iwe n SER 421 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3iwe n PHE 422 N 2.86 0.00 -4.99 0.66 7.35 -0.50 -4.85 117.46 117.99 3iwe n PHE 422 Ca 0.14 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.51 3iwe n PHE 422 Cb 0.32 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.99 3iwe n PHE 422 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3iwe s TYR 423 N 1.35 2.67 -0.15 -5.13 2.02 -1.26 -4.88 117.35 111.97 3iwe s TYR 423 Ca 0.00 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 3iwe s TYR 423 Cb 0.00 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 3iwe s TYR 423 CO 0.00 -0.21 -0.10 -0.80 -1.57 0.00 0.00 175.55 172.87 3iwe s ASN 424 N 0.10 2.71 -0.17 2.29 0.01 -1.26 -2.65 114.94 115.97 3iwe s ASN 424 Ca -0.08 -0.54 -0.01 0.00 -0.71 0.00 0.00 52.86 51.51 3iwe s ASN 424 Cb -0.15 -1.06 -0.00 0.00 0.41 0.00 0.00 41.25 40.45 3iwe s ASN 424 CO 0.05 -0.11 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.72 3iwe s VAL 425 N 1.55 2.86 -0.06 1.60 1.01 0.16 -5.00 120.40 122.51 3iwe s VAL 425 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3iwe s VAL 425 Cb -0.14 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3iwe s VAL 425 CO -0.09 0.50 -0.23 -1.38 0.00 0.00 0.00 175.10 173.90 3iwe s HIS 426 N 0.95 2.27 0.00 5.22 -3.43 -1.26 -1.33 115.29 117.72 3iwe s HIS 426 Ca -0.02 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 3iwe s HIS 426 Cb -0.15 -1.51 0.00 0.00 -1.43 0.00 0.00 32.58 29.50 3iwe s HIS 426 CO -0.01 -0.24 0.00 0.25 -2.00 0.00 0.00 174.74 172.73 3iwe n THR 427 N 3.12 0.00 0.00 -5.38 -2.24 -1.18 -4.94 114.28 103.66 3iwe n THR 427 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iwe n THR 427 Cb 0.52 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3iwe n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwe n GLN 428 N -0.91 2.59 -3.70 -0.78 1.13 -1.26 -5.05 117.38 109.41 3iwe n GLN 428 Ca 0.00 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 3iwe n GLN 428 Cb 0.11 -0.72 -0.08 0.00 0.11 0.00 0.00 30.24 29.67 3iwe n GLN 428 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iwe s THR 429 N -1.14 5.39 0.37 5.09 2.01 -1.26 -5.06 115.64 121.04 3iwe s THR 429 Ca 0.00 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 3iwe s THR 429 Cb 0.00 -3.50 -0.11 0.00 0.01 0.00 0.00 72.50 68.90 3iwe s THR 429 CO 0.00 0.45 1.38 -2.65 -0.69 0.00 0.00 174.62 173.10 3iwe n PRO 430 N 3.37 2.34 -0.23 4.92 -0.02 -1.26 -4.77 135.00 139.35 3iwe n PRO 430 Ca -0.15 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 3iwe n PRO 430 Cb 0.52 -2.49 0.29 0.00 -0.02 0.00 0.00 33.50 31.81 3iwe n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwe h LEU 431 N 2.64 0.78 -0.66 2.45 5.85 -1.97 -1.56 115.31 122.85 3iwe h LEU 431 Ca -0.48 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.31 3iwe h LEU 431 Cb 1.27 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3iwe h LEU 431 CO 0.63 0.52 0.33 0.25 -0.34 0.00 0.00 178.44 179.82 3iwe h LEU 432 N 0.90 0.44 -0.24 2.25 5.85 -1.94 -0.57 115.31 122.00 3iwe h LEU 432 Ca 0.33 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 3iwe h LEU 432 Cb 0.16 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3iwe h LEU 432 CO -0.11 0.27 0.04 0.44 -0.34 0.00 0.00 178.44 178.75 3iwe h ASP 433 N 0.59 0.39 -0.30 1.25 3.45 -1.68 -1.43 116.42 118.69 3iwe h ASP 433 Ca 0.31 -0.25 0.05 0.00 0.43 0.00 0.00 57.03 57.57 3iwe h ASP 433 Cb 0.28 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 3iwe h ASP 433 CO -0.23 0.54 0.02 -0.07 -1.57 0.00 0.00 179.24 177.93 3iwe h LEU 434 N 0.21 -0.07 -0.80 1.55 3.38 -0.98 -1.56 115.31 117.05 3iwe h LEU 434 Ca 0.07 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3iwe h LEU 434 Cb 0.32 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iwe h LEU 434 CO 0.00 0.00 -0.52 0.24 0.09 0.00 0.00 178.44 178.25 3iwe h MET 435 N 0.12 0.21 -0.62 1.13 2.86 -1.09 -0.51 114.93 117.02 3iwe h MET 435 Ca 0.14 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3iwe h MET 435 Cb 0.18 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3iwe h MET 435 CO -0.22 0.68 0.38 1.03 1.06 0.00 0.00 176.91 179.84 3iwe h SER 436 N 0.16 0.62 0.07 1.22 0.87 -0.98 -1.98 113.55 113.54 3iwe h SER 436 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 3iwe h SER 436 Cb 0.97 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3iwe h SER 436 CO 0.08 0.43 -0.35 0.44 -0.53 0.00 0.00 176.83 176.90 3iwe h ASP 437 N 0.75 0.41 -0.62 6.23 3.32 -0.73 -2.48 116.42 123.29 3iwe h ASP 437 Ca 0.25 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3iwe h ASP 437 Cb 0.02 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3iwe h ASP 437 CO -0.10 0.74 0.41 0.00 -1.72 0.00 0.00 179.24 178.57 3iwe h ALA 438 N 1.29 0.79 -0.29 3.45 0.00 -0.70 -0.95 119.26 122.85 3iwe h ALA 438 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iwe h ALA 438 Cb 0.78 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iwe h ALA 438 CO 0.06 0.22 0.16 -0.07 0.00 0.00 0.00 179.25 179.62 3iwe h LEU 439 N 0.85 0.25 -0.23 0.00 3.38 -1.21 0.06 115.31 118.41 3iwe h LEU 439 Ca 0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3iwe h LEU 439 Cb -0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3iwe h LEU 439 CO -0.05 0.18 0.13 0.58 0.09 0.00 0.00 178.44 179.38 3iwe h VAL 440 N 0.33 1.09 -0.74 1.22 2.07 -1.26 -0.59 116.25 118.36 3iwe h VAL 440 Ca 0.12 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3iwe h VAL 440 Cb 0.02 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3iwe h VAL 440 CO -0.07 0.09 0.47 -0.07 0.02 0.00 0.00 177.57 178.01 3iwe h LEU 441 N 0.27 0.78 -0.50 2.57 3.38 -1.02 -0.08 115.31 120.71 3iwe h LEU 441 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3iwe h LEU 441 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3iwe h LEU 441 CO -0.01 0.54 0.19 0.00 0.09 0.00 0.00 178.44 179.25 3iwe h ALA 442 N 1.31 0.65 -0.54 1.53 0.00 -0.74 -1.76 119.26 119.71 3iwe h ALA 442 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iwe h ALA 442 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3iwe h ALA 442 CO -0.10 0.27 0.35 -0.22 0.00 0.00 0.00 179.25 179.55 3iwe h LYS 443 N 0.67 0.69 -0.61 0.00 1.63 -0.67 -2.19 116.57 116.10 3iwe h LYS 443 Ca 0.17 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3iwe h LYS 443 Cb 0.22 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3iwe h LYS 443 CO -0.01 0.46 0.40 0.52 -3.45 0.00 0.00 179.45 177.37 3iwe h MET 444 N 0.71 0.67 -0.01 1.90 2.86 -0.75 -1.83 114.93 118.48 3iwe h MET 444 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3iwe h MET 444 Cb -0.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.45 3iwe h MET 444 CO -0.05 0.44 0.00 1.63 1.06 0.00 0.00 176.91 179.99 3iwe n LYS 445 N -4.47 1.24 -0.42 1.72 5.02 -0.69 -4.92 118.16 115.65 3iwe n LYS 445 Ca 0.08 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 3iwe n LYS 445 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3iwe n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwe n GLY 446 N 1.05 0.78 3.76 0.72 0.00 -0.69 -5.07 105.19 105.76 3iwe n GLY 446 Ca 0.22 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3iwe n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwe s PHE 447 N -2.00 2.52 -0.12 1.61 0.08 -0.87 -4.90 117.98 114.30 3iwe s PHE 447 Ca 0.00 1.51 0.17 0.00 0.12 0.00 0.00 56.93 58.72 3iwe s PHE 447 Cb 0.00 -3.47 -0.15 0.00 -0.57 0.00 0.00 43.02 38.82 3iwe s PHE 447 CO 0.00 -2.06 0.76 -0.25 -0.10 0.00 0.00 175.22 173.57 3iwe n ASP 448 N -1.24 0.78 -3.61 1.36 10.43 0.99 -4.52 116.55 120.75 3iwe n ASP 448 Ca 0.12 0.34 -0.16 0.00 2.57 0.00 0.00 54.79 57.66 3iwe n ASP 448 Cb 0.49 0.27 -0.07 0.00 1.84 0.00 0.00 41.12 43.65 3iwe n ASP 448 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iwe s VAL 449 N -2.91 0.02 -0.18 2.53 0.11 -1.14 -1.48 120.40 117.35 3iwe s VAL 449 Ca -0.04 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3iwe s VAL 449 Cb 0.09 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3iwe s VAL 449 CO 0.82 -0.11 -0.18 0.12 -3.33 0.00 0.00 175.10 172.41 3iwe s PHE 450 N -1.46 2.72 -0.06 1.54 5.36 -0.39 -1.71 117.98 123.98 3iwe s PHE 450 Ca -0.11 -1.64 -0.03 0.00 -0.96 0.00 0.00 56.93 54.20 3iwe s PHE 450 Cb -0.02 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.75 3iwe s PHE 450 CO 0.06 -0.79 0.09 -0.80 -1.46 0.00 0.00 175.22 172.32 3iwe s ASN 451 N 1.31 5.86 -0.00 6.13 0.01 0.87 -0.23 114.94 128.89 3iwe s ASN 451 Ca 0.04 0.26 -0.14 0.00 -0.71 0.00 0.00 52.86 52.31 3iwe s ASN 451 Cb -0.14 -1.76 0.02 0.00 0.41 0.00 0.00 41.25 39.78 3iwe s ASN 451 CO -0.12 0.33 0.29 0.00 -1.51 0.00 0.00 177.10 176.09 3iwe s ALA 452 N -1.09 -0.71 0.52 0.60 0.00 -0.69 -0.63 121.76 119.75 3iwe s ALA 452 Ca 0.19 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 3iwe s ALA 452 Cb -0.12 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3iwe s ALA 452 CO 0.09 -0.28 0.79 -0.51 0.00 0.00 0.00 175.76 175.85 3iwe s LEU 453 N -1.47 3.45 -0.11 0.00 1.43 -1.26 -0.35 118.68 120.37 3iwe s LEU 453 Ca -0.12 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3iwe s LEU 453 Cb -0.05 -3.43 0.27 0.00 0.03 0.00 0.00 46.19 43.01 3iwe s LEU 453 CO 0.03 -0.86 1.10 -0.90 0.23 0.00 0.00 176.35 175.95 3iwe n ASP 454 N -2.34 2.92 -4.29 2.29 5.75 -0.90 -4.77 116.55 115.22 3iwe n ASP 454 Ca 0.03 -2.43 -0.26 0.00 -0.01 0.00 0.00 54.79 52.13 3iwe n ASP 454 Cb 0.57 -0.59 0.15 0.00 -1.03 0.00 0.00 41.12 40.23 3iwe n ASP 454 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iwe n LEU 455 N 0.10 0.00 0.00 -2.12 -0.00 -1.26 -4.12 117.00 109.60 3iwe n LEU 455 Ca 0.14 -1.85 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 3iwe n LEU 455 Cb 0.72 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 3iwe n LEU 455 CO 0.16 -1.17 0.00 0.23 -0.00 0.00 0.00 177.39 176.61 3iwe n MET 456 N -3.23 0.00 -0.69 1.47 2.81 -0.45 -1.28 117.12 115.75 3iwe n MET 456 Ca 0.17 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.10 3iwe n MET 456 Cb 0.58 0.00 0.31 0.00 -0.71 0.00 0.00 33.22 33.40 3iwe n MET 456 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iwe n GLU 457 N 14.00 3.95 0.06 0.03 1.02 -1.26 -4.36 120.64 134.08 3iwe n GLU 457 Ca 0.00 -2.40 0.03 0.00 -0.02 0.00 0.00 57.16 54.77 3iwe n GLU 457 Cb 0.00 -2.09 0.42 0.00 -0.02 0.00 0.00 31.44 29.76 3iwe n GLU 457 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3iwe h ASN 458 N 3.00 0.37 0.16 1.62 4.21 -1.45 -2.10 115.58 121.39 3iwe h ASN 458 Ca 0.01 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3iwe h ASN 458 Cb 1.65 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.76 3iwe h ASN 458 CO 0.39 0.35 0.00 0.11 -1.29 0.00 0.00 177.43 176.98 3iwe h LYS 459 N 0.41 0.00 0.00 0.81 1.57 -1.78 -1.53 116.57 116.04 3iwe h LYS 459 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3iwe h LYS 459 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3iwe h LYS 459 CO -0.01 0.00 -0.12 1.79 -0.57 0.00 0.00 179.45 180.54 3iwe h THR 460 N 0.00 0.32 0.00 -0.16 1.35 -1.75 -3.33 112.91 109.33 3iwe h THR 460 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3iwe h THR 460 Cb 0.08 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3iwe h THR 460 CO 0.00 0.11 -0.88 2.22 -0.25 0.00 0.00 175.52 176.72 3iwe n PHE 461 N -3.30 0.00 0.14 4.73 1.16 -0.64 -4.81 117.46 114.75 3iwe n PHE 461 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 3iwe n PHE 461 Cb 0.34 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.12 3iwe n PHE 461 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3iwe h LEU 462 N 0.00 -1.06 -0.15 5.98 3.38 -1.52 -0.54 115.31 121.41 3iwe h LEU 462 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3iwe h LEU 462 Cb 0.05 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3iwe h LEU 462 CO 0.00 -0.46 0.04 -0.33 0.09 0.00 0.00 178.44 177.77 3iwe h GLU 463 N -0.64 0.24 -0.82 1.13 5.08 -1.81 -1.47 114.58 116.29 3iwe h GLU 463 Ca 0.01 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3iwe h GLU 463 Cb 0.64 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3iwe h GLU 463 CO -0.18 0.38 0.54 0.87 -1.00 0.00 0.00 179.01 179.62 3iwe h LYS 464 N 0.05 0.70 -0.56 2.33 1.57 -1.83 -0.67 116.57 118.16 3iwe h LYS 464 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3iwe h LYS 464 Cb 0.25 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3iwe h LYS 464 CO 0.00 0.46 0.00 1.28 -0.57 0.00 0.00 179.45 180.62 3iwe n LEU 465 N -4.52 3.10 -0.64 2.94 4.77 -0.23 -4.93 117.00 117.50 3iwe n LEU 465 Ca 0.14 -1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 54.50 3iwe n LEU 465 Cb 0.37 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3iwe n LEU 465 CO 0.31 0.63 -0.08 0.29 -1.33 0.00 0.00 177.39 177.22 3iwe n LYS 466 N 0.82 -0.51 -2.03 3.23 5.02 -0.26 -5.02 118.16 119.42 3iwe n LYS 466 Ca 0.17 0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 3iwe n LYS 466 Cb 0.55 -4.41 -0.01 0.00 -0.02 0.00 0.00 35.03 31.14 3iwe n LYS 466 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3iwe s PHE 467 N -2.29 2.85 -0.06 2.13 0.08 -0.57 -4.65 117.98 115.47 3iwe s PHE 467 Ca 0.00 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.42 3iwe s PHE 467 Cb 0.00 -3.73 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 3iwe s PHE 467 CO 0.00 -2.17 -0.02 0.20 -0.10 0.00 0.00 175.22 173.13 3iwe s GLY 468 N -0.56 1.80 0.37 4.36 0.00 0.15 -4.59 107.32 108.86 3iwe s GLY 468 Ca 0.54 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 3iwe s GLY 468 CO 0.53 -0.65 1.31 -1.50 0.00 0.00 0.00 173.10 172.78 3iwe s ILE 469 N -0.90 2.66 0.70 0.90 2.07 -1.26 -0.37 121.20 125.00 3iwe s ILE 469 Ca 0.14 0.62 -0.00 0.00 -1.41 0.00 0.00 60.65 60.00 3iwe s ILE 469 Cb -0.11 -3.38 0.11 0.00 0.13 0.00 0.00 42.46 39.21 3iwe s ILE 469 CO 0.03 0.12 0.97 -0.83 -1.91 0.00 0.00 174.94 173.32 3iwe s GLY 470 N -0.63 1.77 -0.12 1.50 0.00 0.93 -4.84 107.32 105.93 3iwe s GLY 470 Ca 0.53 -1.67 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 3iwe s GLY 470 CO 0.51 -1.14 0.76 -0.55 0.00 0.00 0.00 173.10 172.67 3iwe h ASP 471 N -0.45 0.11 -3.59 1.64 3.32 -1.96 -3.46 116.42 112.03 3iwe h ASP 471 Ca -0.37 -0.96 -0.51 0.00 0.02 0.00 0.00 57.03 55.21 3iwe h ASP 471 Cb 1.27 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.79 3iwe h ASP 471 CO 0.42 1.13 0.48 -0.83 -1.72 0.00 0.00 179.24 178.72 3iwe s GLY 472 N -4.32 2.87 0.55 2.75 0.00 -1.26 -5.00 107.32 102.90 3iwe s GLY 472 Ca -0.18 0.83 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 3iwe s GLY 472 CO 0.72 1.65 0.89 -1.31 0.00 0.00 0.00 173.10 175.04 3iwe s ASN 473 N -0.20 6.18 -0.18 1.64 0.01 -1.26 -2.93 114.94 118.20 3iwe s ASN 473 Ca 0.49 1.10 -0.00 0.00 -0.71 0.00 0.00 52.86 53.74 3iwe s ASN 473 Cb -0.30 -2.29 0.04 0.00 0.41 0.00 0.00 41.25 39.12 3iwe s ASN 473 CO 0.36 -0.74 -0.05 -0.22 -1.51 0.00 0.00 177.10 174.94 3iwe s LEU 474 N -4.94 1.72 0.04 0.60 2.96 0.35 -4.51 118.68 114.90 3iwe s LEU 474 Ca 0.51 -0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 53.49 3iwe s LEU 474 Cb -0.11 -0.94 -0.06 0.00 0.50 0.00 0.00 46.19 45.58 3iwe s LEU 474 CO 0.48 -0.19 0.58 -1.10 -1.32 0.00 0.00 176.35 174.80 3iwe s GLN 475 N 1.61 4.25 -0.15 1.98 -1.52 0.43 -1.27 119.66 124.99 3iwe s GLN 475 Ca -0.00 0.73 -0.06 0.00 -1.95 0.00 0.00 55.36 54.08 3iwe s GLN 475 Cb -0.16 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 3iwe s GLN 475 CO -0.08 0.52 0.07 0.71 -0.25 0.00 0.00 175.29 176.26 3iwe s TYR 476 N -0.69 3.33 0.07 0.91 2.02 0.06 -1.60 117.35 121.44 3iwe s TYR 476 Ca 0.30 0.22 0.04 0.00 -0.37 0.00 0.00 57.07 57.27 3iwe s TYR 476 Cb -0.19 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 3iwe s TYR 476 CO 0.18 0.37 -0.13 0.71 -1.57 0.00 0.00 175.55 175.11 3iwe s TYR 477 N -0.22 1.10 0.01 2.71 2.02 0.24 -0.12 117.35 123.08 3iwe s TYR 477 Ca 0.08 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 3iwe s TYR 477 Cb -0.12 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 3iwe s TYR 477 CO 0.01 0.03 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.33 3iwe s LEU 478 N -1.75 2.59 -0.21 -1.29 1.43 -1.26 -1.75 118.68 116.44 3iwe s LEU 478 Ca -0.03 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3iwe s LEU 478 Cb -0.10 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3iwe s LEU 478 CO 0.02 0.28 0.10 -0.47 0.23 0.00 0.00 176.35 176.51 3iwe s TYR 479 N -0.85 3.27 -1.31 0.29 5.04 0.41 -4.50 117.35 119.70 3iwe s TYR 479 Ca 0.13 0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.79 3iwe s TYR 479 Cb -0.10 -2.17 0.01 0.00 0.35 0.00 0.00 41.96 40.05 3iwe s TYR 479 CO 0.04 0.08 0.81 -1.71 -1.34 0.00 0.00 175.55 173.42 3iwe n ASN 480 N 3.94 -5.83 -3.66 4.32 4.05 -0.42 -2.94 115.26 114.73 3iwe n ASN 480 Ca -0.16 -0.37 -0.14 0.00 0.45 0.00 0.00 54.58 54.36 3iwe n ASN 480 Cb 0.52 -4.55 -0.13 0.00 1.23 0.00 0.00 39.78 36.85 3iwe n ASN 480 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3iwe s TRP 481 N -3.20 -0.40 -0.19 1.20 -0.11 -1.26 -3.42 118.94 111.55 3iwe s TRP 481 Ca 0.40 0.93 -0.08 0.00 1.22 0.00 0.00 56.10 58.57 3iwe s TRP 481 Cb -0.18 -0.06 -0.04 0.00 -1.50 0.00 0.00 33.47 31.69 3iwe s TRP 481 CO 0.50 -0.35 0.07 -1.59 -4.62 0.00 0.00 176.95 170.95 3iwe s LYS 482 N 2.41 3.94 0.19 5.86 0.00 0.18 -4.81 119.74 127.51 3iwe s LYS 482 Ca 0.02 -0.36 -0.21 0.00 0.00 0.00 0.00 55.97 55.42 3iwe s LYS 482 Cb -0.12 -3.25 0.05 0.00 0.00 0.00 0.00 37.83 34.51 3iwe s LYS 482 CO -0.08 0.20 0.58 0.00 0.00 0.00 0.00 175.35 176.05 3iwe s PRO 484 N -3.81 3.39 0.87 0.00 0.02 -1.25 -4.76 135.00 129.44 3iwe s PRO 484 Ca 0.05 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.25 3iwe s PRO 484 Cb -0.02 -2.43 0.11 0.00 0.02 0.00 0.00 34.50 32.18 3iwe s PRO 484 CO -0.07 -1.01 1.10 -1.54 -0.33 0.00 0.00 177.00 175.15 3iwe s SER 485 N -0.78 3.83 0.08 2.53 1.04 -1.26 -5.01 113.70 114.13 3iwe s SER 485 Ca 0.67 1.32 0.01 0.00 0.48 0.00 0.00 55.95 58.43 3iwe s SER 485 Cb -0.41 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 3iwe s SER 485 CO 0.51 -2.39 -0.06 0.00 0.98 0.00 0.00 173.24 172.28 3iwe s MET 486 N -5.07 0.72 0.62 4.02 0.23 0.52 -5.02 119.30 115.32 3iwe s MET 486 Ca 0.62 -1.16 -0.16 0.00 -1.03 0.00 0.00 55.69 53.97 3iwe s MET 486 Cb -0.16 -0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 32.95 3iwe s MET 486 CO 0.55 -0.01 1.09 0.20 -2.03 0.00 0.00 175.02 174.82 3iwe s GLY 487 N -2.62 2.20 0.38 3.16 0.00 -1.26 -4.36 107.32 104.81 3iwe s GLY 487 Ca 0.05 0.51 0.16 0.00 0.00 0.00 0.00 44.72 45.44 3iwe s GLY 487 CO -0.04 0.85 1.78 0.00 0.00 0.00 0.00 173.10 175.69 3iwe h ALA 488 N 0.35 2.11 0.00 3.20 0.00 -1.87 0.38 119.26 123.44 3iwe h ALA 488 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iwe h ALA 488 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3iwe h ALA 488 CO 0.56 -0.50 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 3iwe n GLU 489 N -4.65 0.19 0.00 0.00 0.00 -1.26 -1.60 120.64 113.32 3iwe n GLU 489 Ca 0.24 0.49 0.12 0.00 0.00 0.00 0.00 57.16 58.02 3iwe n GLU 489 Cb 0.80 -1.92 0.13 0.00 0.00 0.00 0.00 31.44 30.45 3iwe n GLU 489 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3iwe n LYS 490 N -2.29 1.37 -2.81 3.44 4.76 0.12 -3.94 118.16 118.81 3iwe n LYS 490 Ca 0.01 -1.06 -0.42 0.00 -2.87 0.00 0.00 58.31 53.97 3iwe n LYS 490 Cb 0.18 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3iwe n LYS 490 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3iwe s VAL 491 N -2.36 4.84 -0.25 -0.18 1.01 -0.63 -0.96 120.40 121.87 3iwe s VAL 491 Ca 0.23 1.79 0.13 0.00 0.00 0.00 0.00 61.98 64.13 3iwe s VAL 491 Cb 0.19 -4.20 0.47 0.00 0.00 0.00 0.00 36.38 32.83 3iwe s VAL 491 CO 0.50 0.02 1.17 0.61 0.00 0.00 0.00 175.10 177.40 3iwe n GLY 492 N 3.30 4.62 2.95 4.51 0.00 0.79 -1.34 105.19 120.02 3iwe n GLY 492 Ca 0.06 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 3iwe n GLY 492 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwe s LEU 493 N -3.36 1.44 -0.12 0.99 2.96 -1.13 -4.18 118.68 115.28 3iwe s LEU 493 Ca 0.42 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3iwe s LEU 493 Cb 0.38 -0.67 0.01 0.00 0.50 0.00 0.00 46.19 46.41 3iwe s LEU 493 CO -0.01 -0.02 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.10 3iwe s VAL 494 N 0.92 1.90 0.24 1.68 1.01 -1.26 -5.07 120.40 119.81 3iwe s VAL 494 Ca -0.10 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3iwe s VAL 494 Cb -0.15 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3iwe s VAL 494 CO 0.01 0.52 -0.00 -0.76 0.00 0.00 0.00 175.10 174.87 3iwe s LEU 495 N 0.69 3.23 0.00 3.92 1.43 -1.26 -5.08 118.68 121.61 3iwe s LEU 495 Ca -0.11 -0.57 0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3iwe s LEU 495 Cb -0.16 -1.79 1.78 0.00 0.03 0.00 0.00 46.19 46.05 3iwe s LEU 495 CO 0.02 0.02 2.12 0.00 0.23 0.00 0.00 176.35 178.74