#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu1 s SER 116 N 0.00 6.87 -0.40 2.89 0.15 -1.26 -5.07 113.70 116.89 3iu1 s SER 116 Ca 0.00 1.24 0.02 0.00 0.70 0.00 0.00 55.95 57.90 3iu1 s SER 116 Cb 0.00 -2.35 0.12 0.00 -1.71 0.00 0.00 66.02 62.08 3iu1 s SER 116 CO 0.00 -0.02 0.18 -0.31 1.20 0.00 0.00 173.24 174.29 3iu1 s TYR 117 N -1.66 2.15 0.28 3.44 2.02 -1.26 -5.02 117.35 117.30 3iu1 s TYR 117 Ca 0.45 -2.33 0.02 0.00 -0.37 0.00 0.00 57.07 54.83 3iu1 s TYR 117 Cb -0.14 -2.00 0.62 0.00 -0.40 0.00 0.00 41.96 40.04 3iu1 s TYR 117 CO 0.20 -0.82 1.75 0.37 -1.57 0.00 0.00 175.55 175.47 3iu1 h GLN 118 N 7.19 0.60 0.00 -0.62 4.15 -1.99 0.82 115.11 125.26 3iu1 h GLN 118 Ca -0.05 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 3iu1 h GLN 118 Cb 0.96 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3iu1 h GLN 118 CO 0.49 0.40 -0.47 0.35 -1.93 0.00 0.00 178.83 177.67 3iu1 h PHE 119 N 0.62 0.00 0.00 3.99 3.57 -2.02 -3.41 116.94 119.69 3iu1 h PHE 119 Ca 0.51 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.99 3iu1 h PHE 119 Cb 0.79 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3iu1 h PHE 119 CO -0.08 0.62 -0.12 -1.49 -2.23 0.00 0.00 178.31 175.01 3iu1 h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.93 -1.24 115.95 116.26 3iu1 h TRP 120 Ca -0.09 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 3iu1 h TRP 120 Cb 0.71 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.87 3iu1 h TRP 120 CO 0.03 0.12 -0.03 -0.44 -3.56 0.00 0.00 178.44 174.56 3iu1 h ASP 121 N 0.00 0.00 0.38 -3.49 3.32 -1.07 -2.28 116.42 113.29 3iu1 h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iu1 h ASP 121 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3iu1 h ASP 121 CO 0.02 0.03 -0.13 0.35 -1.72 0.00 0.00 179.24 177.78 3iu1 n THR 122 N -3.25 0.00 -3.99 0.35 -2.24 -0.47 -4.96 114.28 99.73 3iu1 n THR 122 Ca -0.02 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 3iu1 n THR 122 Cb 0.18 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 3iu1 n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iu1 s GLN 123 N -2.52 3.29 -1.42 -0.78 -1.52 -0.86 -5.00 119.66 110.86 3iu1 s GLN 123 Ca 0.27 -0.72 -0.14 0.00 -1.95 0.00 0.00 55.36 52.82 3iu1 s GLN 123 Cb 0.20 -2.86 0.01 0.00 -0.22 0.00 0.00 33.01 30.14 3iu1 s GLN 123 CO 0.49 0.49 2.28 -0.35 -0.25 0.00 0.00 175.29 177.94 3iu1 n PRO 124 N -0.74 2.82 -4.16 2.91 -0.04 -1.26 -4.85 135.00 129.68 3iu1 n PRO 124 Ca -0.08 -2.49 -0.11 0.00 -0.04 0.00 0.00 63.50 60.78 3iu1 n PRO 124 Cb 0.55 -3.21 -0.10 0.00 -0.04 0.00 0.00 33.50 30.70 3iu1 n PRO 124 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iu1 s VAL 125 N 3.24 0.70 0.72 0.52 -7.23 -1.26 -1.08 120.40 116.01 3iu1 s VAL 125 Ca 0.50 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 3iu1 s VAL 125 Cb 0.14 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.51 3iu1 s VAL 125 CO -0.07 -0.83 1.09 -2.84 -0.31 0.00 0.00 175.10 172.13 3iu1 s PRO 126 N -3.65 2.58 0.52 4.82 0.02 -1.26 -4.93 135.00 133.10 3iu1 s PRO 126 Ca 0.10 1.16 -0.18 0.00 0.02 0.00 0.00 61.00 62.11 3iu1 s PRO 126 Cb 0.04 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3iu1 s PRO 126 CO -0.04 -1.39 1.02 0.15 -0.33 0.00 0.00 177.00 176.41 3iu1 s LYS 127 N -4.73 3.74 0.25 5.54 3.01 -1.26 -3.51 119.74 122.79 3iu1 s LYS 127 Ca 0.62 1.18 -0.30 0.00 -1.01 0.00 0.00 55.97 56.45 3iu1 s LYS 127 Cb -0.17 -2.10 -0.11 0.00 -1.01 0.00 0.00 37.83 34.44 3iu1 s LYS 127 CO 0.52 -0.46 1.57 -0.51 0.51 0.00 0.00 175.35 176.98 3iu1 s LEU 128 N -3.90 4.36 -0.40 3.17 1.43 -1.26 -2.29 118.68 119.79 3iu1 s LEU 128 Ca 0.63 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 56.56 3iu1 s LEU 128 Cb -0.14 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3iu1 s LEU 128 CO 0.27 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.60 3iu1 n GLY 129 N 2.63 0.67 3.67 -3.19 0.00 -1.26 -5.01 105.19 102.70 3iu1 n GLY 129 Ca 0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3iu1 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iu1 s GLU 130 N -1.89 4.30 -0.27 1.61 2.12 -0.97 -5.01 118.70 118.59 3iu1 s GLU 130 Ca 0.00 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 3iu1 s GLU 130 Cb 0.00 -3.58 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 3iu1 s GLU 130 CO 0.00 -0.34 1.31 0.08 -0.54 0.00 0.00 175.26 175.76 3iu1 s VAL 131 N 2.20 4.15 -0.17 3.70 1.01 -1.26 -4.98 120.40 125.05 3iu1 s VAL 131 Ca 0.39 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 3iu1 s VAL 131 Cb -0.17 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3iu1 s VAL 131 CO 0.12 -0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.04 3iu1 s VAL 132 N 4.22 3.04 -0.01 2.92 1.01 -1.26 -4.94 120.40 125.38 3iu1 s VAL 132 Ca 0.57 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3iu1 s VAL 132 Cb -0.18 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3iu1 s VAL 132 CO 0.21 0.49 0.87 -0.46 0.00 0.00 0.00 175.10 176.22 3iu1 n ASN 133 N 4.09 1.33 -4.99 3.32 0.23 -1.26 -4.07 115.26 113.91 3iu1 n ASN 133 Ca -0.18 -1.83 -0.18 0.00 -0.53 0.00 0.00 54.58 51.85 3iu1 n ASN 133 Cb 0.52 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 3iu1 n ASN 133 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3iu1 s THR 134 N -0.86 3.46 -0.15 5.53 -4.23 -1.26 -4.94 115.64 113.19 3iu1 s THR 134 Ca 0.04 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3iu1 s THR 134 Cb 0.03 -3.18 0.06 0.00 1.34 0.00 0.00 72.50 70.75 3iu1 s THR 134 CO 0.00 -0.07 0.13 -1.00 -0.54 0.00 0.00 174.62 173.14 3iu1 s HIS 135 N -2.28 0.00 -5.00 3.99 3.76 -1.24 -3.83 115.29 110.70 3iu1 s HIS 135 Ca 0.50 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 3iu1 s HIS 135 Cb -0.09 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.07 3iu1 s HIS 135 CO 0.32 -0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 3iu1 n GLY 136 N 5.30 -2.49 3.72 -2.22 0.00 -0.65 -5.00 105.19 103.85 3iu1 n GLY 136 Ca -0.06 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 3iu1 n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iu1 n PRO 137 N -0.93 0.96 -0.01 1.61 -0.02 -1.26 -0.92 135.00 134.43 3iu1 n PRO 137 Ca 0.00 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3iu1 n PRO 137 Cb 0.00 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 30.82 3iu1 n PRO 137 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iu1 h VAL 138 N 0.29 0.88 -3.80 -1.45 2.07 -1.85 -3.44 116.25 108.95 3iu1 h VAL 138 Ca -0.50 -2.70 -0.26 0.00 0.82 0.00 0.00 66.70 64.06 3iu1 h VAL 138 Cb 1.33 2.46 -0.15 0.00 -1.52 0.00 0.00 31.29 33.42 3iu1 h VAL 138 CO 0.52 0.57 -0.68 -1.83 0.02 0.00 0.00 177.57 176.17 3iu1 s GLU 139 N -2.60 0.98 0.52 1.57 -1.05 -1.26 -5.04 118.70 111.81 3iu1 s GLU 139 Ca -0.06 -1.44 -0.22 0.00 -0.15 0.00 0.00 54.97 53.10 3iu1 s GLU 139 Cb 0.08 -0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.48 3iu1 s GLU 139 CO 0.82 -0.08 1.23 -2.14 0.95 0.00 0.00 175.26 176.04 3iu1 s PRO 140 N -3.88 3.40 0.38 -4.83 0.02 -1.26 -4.97 135.00 123.86 3iu1 s PRO 140 Ca 0.18 1.92 -0.27 0.00 0.02 0.00 0.00 61.00 62.85 3iu1 s PRO 140 Cb 0.06 -2.25 -0.11 0.00 0.02 0.00 0.00 34.50 32.22 3iu1 s PRO 140 CO -0.00 -0.89 1.26 -0.25 -0.33 0.00 0.00 177.00 176.80 3iu1 n ASP 141 N -0.91 2.58 -4.73 2.53 8.00 -1.26 -4.96 116.55 117.80 3iu1 n ASP 141 Ca 0.10 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.34 3iu1 n ASP 141 Cb 0.48 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 3iu1 n ASP 141 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iu1 s LYS 142 N -2.02 4.38 0.00 -1.24 -0.14 -1.26 -4.92 119.74 114.54 3iu1 s LYS 142 Ca 0.58 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 57.24 3iu1 s LYS 142 Cb -0.54 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 3iu1 s LYS 142 CO 0.60 -0.28 0.47 -0.40 -0.76 0.00 0.00 175.35 174.99 3iu1 n ASP 143 N 2.84 0.92 -3.19 2.83 5.68 -1.26 -4.77 116.55 119.61 3iu1 n ASP 143 Ca 0.07 -1.10 -0.19 0.00 -0.50 0.00 0.00 54.79 53.07 3iu1 n ASP 143 Cb 0.43 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 3iu1 n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3iu1 n ASN 144 N -0.05 0.78 -4.72 -1.12 5.15 -1.26 -5.12 115.26 108.92 3iu1 n ASN 144 Ca 0.00 -2.98 -0.42 0.00 -0.60 0.00 0.00 54.58 50.58 3iu1 n ASN 144 Cb 0.07 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 38.67 3iu1 n ASN 144 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iu1 s ILE 145 N -2.29 2.20 -0.41 -1.44 1.09 -1.26 -4.87 121.20 114.23 3iu1 s ILE 145 Ca 0.39 0.14 -0.44 0.00 -1.10 0.00 0.00 60.65 59.64 3iu1 s ILE 145 Cb 0.33 -3.09 -0.18 0.00 -1.06 0.00 0.00 42.46 38.45 3iu1 s ILE 145 CO -0.08 0.01 1.65 -1.14 -0.10 0.00 0.00 174.94 175.28 3iu1 n ARG 146 N 3.95 0.46 0.15 2.79 0.63 -1.26 -4.87 116.66 118.52 3iu1 n ARG 146 Ca 0.15 0.17 0.11 0.00 -0.92 0.00 0.00 57.85 57.36 3iu1 n ARG 146 Cb 0.36 -1.74 0.07 0.00 0.45 0.00 0.00 32.46 31.60 3iu1 n ARG 146 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3iu1 h GLN 147 N 5.86 0.00 -5.98 -0.14 4.20 -2.00 -3.46 115.11 113.60 3iu1 h GLN 147 Ca -0.45 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.69 3iu1 h GLN 147 Cb 1.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.07 3iu1 h GLN 147 CO 0.97 0.04 -0.03 -1.21 -0.67 0.00 0.00 178.83 177.94 3iu1 s GLU 148 N -3.25 4.34 0.68 1.46 8.01 -1.26 -5.06 118.70 123.62 3iu1 s GLU 148 Ca 0.03 0.69 -0.17 0.00 0.01 0.00 0.00 54.97 55.53 3iu1 s GLU 148 Cb 0.07 -3.39 0.01 0.00 -4.31 0.00 0.00 34.13 26.51 3iu1 s GLU 148 CO 0.73 0.25 1.28 -2.14 0.01 0.00 0.00 175.26 175.39 3iu1 s PRO 149 N 0.24 2.37 0.68 0.39 0.02 -1.26 -4.98 135.00 132.46 3iu1 s PRO 149 Ca 0.31 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 3iu1 s PRO 149 Cb -0.17 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3iu1 s PRO 149 CO 0.15 -1.72 1.15 0.71 -0.33 0.00 0.00 177.00 176.97 3iu1 s TYR 150 N -1.52 2.39 -0.17 6.54 1.51 -1.26 -4.98 117.35 119.86 3iu1 s TYR 150 Ca 0.81 1.57 -0.27 0.00 -1.01 0.00 0.00 57.07 58.17 3iu1 s TYR 150 Cb -0.36 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.17 3iu1 s TYR 150 CO 0.42 -2.06 0.91 0.99 -1.11 0.00 0.00 175.55 174.70 3iu1 s THR 151 N -2.12 4.81 0.52 -0.71 2.01 -1.26 -5.02 115.64 113.86 3iu1 s THR 151 Ca 0.71 1.81 -0.08 0.00 0.31 0.00 0.00 61.69 64.44 3iu1 s THR 151 Cb -0.25 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 3iu1 s THR 151 CO 0.41 -0.03 0.86 -0.76 -0.69 0.00 0.00 174.62 174.42 3iu1 s LEU 152 N 2.37 3.52 0.61 4.42 1.43 -1.26 -4.98 118.68 124.78 3iu1 s LEU 152 Ca 0.42 1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 3iu1 s LEU 152 Cb -0.17 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 3iu1 s LEU 152 CO 0.12 -0.65 0.92 -2.65 0.23 0.00 0.00 176.35 174.32 3iu1 n PRO 153 N -2.32 0.84 -1.59 1.29 -0.02 -1.26 -4.85 135.00 127.09 3iu1 n PRO 153 Ca 0.03 0.33 -0.50 0.00 -2.02 0.00 0.00 63.50 61.34 3iu1 n PRO 153 Cb 0.55 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3iu1 n PRO 153 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3iu1 n GLN 154 N -0.98 1.26 -0.26 -0.52 -0.06 -1.26 -2.25 117.38 113.31 3iu1 n GLN 154 Ca 0.14 0.45 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 3iu1 n GLN 154 Cb 0.48 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 3iu1 n GLN 154 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3iu1 n GLY 155 N 2.27 0.67 3.29 1.69 0.00 -1.26 -5.07 105.19 106.79 3iu1 n GLY 155 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3iu1 n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu1 s PHE 156 N -2.43 1.73 0.02 1.61 0.40 -0.96 -0.72 117.98 117.63 3iu1 s PHE 156 Ca 0.00 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 3iu1 s PHE 156 Cb 0.00 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.63 3iu1 s PHE 156 CO 0.00 0.23 0.27 -0.08 0.70 0.00 0.00 175.22 176.34 3iu1 s THR 157 N -1.49 0.08 0.41 0.64 -1.32 -0.16 -4.75 115.64 109.05 3iu1 s THR 157 Ca 0.09 -0.64 -0.24 0.00 -1.21 0.00 0.00 61.69 59.69 3iu1 s THR 157 Cb -0.08 -0.76 -0.09 0.00 -1.51 0.00 0.00 72.50 70.06 3iu1 s THR 157 CO 0.05 -0.35 1.08 0.26 -2.21 0.00 0.00 174.62 173.45 3iu1 s TRP 158 N -1.96 3.16 -0.21 9.09 0.52 -1.26 -0.51 118.94 127.77 3iu1 s TRP 158 Ca -0.09 1.61 -0.07 0.00 0.02 0.00 0.00 56.10 57.57 3iu1 s TRP 158 Cb -0.03 -3.19 0.10 0.00 -1.15 0.00 0.00 33.47 29.19 3iu1 s TRP 158 CO 0.00 -0.86 0.45 0.34 0.02 0.00 0.00 176.95 176.90 3iu1 s ASP 159 N -1.51 -0.36 0.15 2.95 2.15 -0.17 -4.84 116.67 115.05 3iu1 s ASP 159 Ca 0.59 1.05 -0.30 0.00 0.43 0.00 0.00 52.55 54.32 3iu1 s ASP 159 Cb -0.24 1.47 -0.08 0.00 -0.30 0.00 0.00 42.92 43.77 3iu1 s ASP 159 CO 0.29 -0.23 1.28 0.00 -0.17 0.00 0.00 175.17 176.35 3iu1 s ALA 160 N 2.65 3.50 -0.35 3.66 0.00 -1.26 -1.00 121.76 128.95 3iu1 s ALA 160 Ca -0.02 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 3iu1 s ALA 160 Cb -0.12 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3iu1 s ALA 160 CO -0.14 -0.50 0.36 -0.51 0.00 0.00 0.00 175.76 174.97 3iu1 s LEU 161 N 0.37 4.53 -0.70 0.00 1.43 -0.12 -4.90 118.68 119.28 3iu1 s LEU 161 Ca 0.58 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 3iu1 s LEU 161 Cb -0.34 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.58 3iu1 s LEU 161 CO 0.34 -0.36 1.30 -0.62 0.23 0.00 0.00 176.35 177.24 3iu1 s ASP 162 N 1.74 6.17 0.04 2.29 -1.08 -1.26 -4.79 116.67 119.78 3iu1 s ASP 162 Ca 0.11 -0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.10 3iu1 s ASP 162 Cb -0.17 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 39.70 3iu1 s ASP 162 CO 0.12 -1.80 1.74 0.18 0.52 0.00 0.00 175.17 175.93 3iu1 n LEU 163 N 9.39 0.14 0.17 -1.34 4.77 -1.26 -1.58 117.00 127.29 3iu1 n LEU 163 Ca 0.05 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 3iu1 n LEU 163 Cb 0.49 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 3iu1 n LEU 163 CO 0.71 -0.15 0.89 1.23 -1.33 0.00 0.00 177.39 178.74 3iu1 h GLY 164 N 3.90 0.00 -6.83 -0.72 0.00 -2.00 -3.42 103.07 94.00 3iu1 h GLY 164 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3iu1 h GLY 164 CO 0.00 0.00 0.55 -0.35 0.00 0.00 0.00 176.54 176.74 3iu1 s ASP 165 N -4.89 6.52 0.22 0.19 3.68 -0.61 -4.96 116.67 116.82 3iu1 s ASP 165 Ca 0.05 0.18 -0.08 0.00 2.13 0.00 0.00 52.55 54.84 3iu1 s ASP 165 Cb 0.09 -2.44 0.35 0.00 -1.45 0.00 0.00 42.92 39.47 3iu1 s ASP 165 CO 0.51 -0.99 1.72 -0.09 0.13 0.00 0.00 175.17 176.45 3iu1 h ARG 166 N 8.94 0.32 -0.74 4.34 9.65 -1.85 -0.63 114.38 134.41 3iu1 h ARG 166 Ca -0.24 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.56 3iu1 h ARG 166 Cb 1.08 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.55 3iu1 h ARG 166 CO 1.01 0.21 0.24 0.78 2.80 0.00 0.00 179.97 185.01 3iu1 h GLY 167 N 0.33 1.22 0.94 2.80 0.00 -1.93 -1.07 103.07 105.36 3iu1 h GLY 167 Ca 0.35 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3iu1 h GLY 167 CO -0.40 0.67 -0.05 -2.08 0.00 0.00 0.00 176.54 174.68 3iu1 h VAL 168 N 1.10 1.27 -0.89 4.60 2.07 -1.61 -1.16 116.25 121.62 3iu1 h VAL 168 Ca 0.24 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3iu1 h VAL 168 Cb 0.30 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3iu1 h VAL 168 CO -0.01 0.36 0.58 0.25 0.02 0.00 0.00 177.57 178.78 3iu1 h LEU 169 N 0.50 0.99 -1.16 2.57 5.85 -0.95 -1.43 115.31 121.68 3iu1 h LEU 169 Ca 0.10 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3iu1 h LEU 169 Cb 0.54 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3iu1 h LEU 169 CO 0.03 0.69 0.34 0.11 -0.34 0.00 0.00 178.44 179.27 3iu1 h LYS 170 N 1.16 0.93 -0.66 1.25 1.79 -0.94 0.54 116.57 120.63 3iu1 h LYS 170 Ca 0.34 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3iu1 h LYS 170 Cb -0.06 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 3iu1 h LYS 170 CO -0.10 0.70 0.33 0.93 -1.08 0.00 0.00 179.45 180.23 3iu1 h GLU 171 N 0.93 0.95 -0.12 3.15 5.08 -0.25 -1.12 114.58 123.21 3iu1 h GLU 171 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3iu1 h GLU 171 Cb 0.06 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3iu1 h GLU 171 CO -0.03 0.74 0.01 1.25 -1.00 0.00 0.00 179.01 179.98 3iu1 h LEU 172 N 0.91 0.19 -0.74 1.33 5.85 -0.88 -1.47 115.31 120.50 3iu1 h LEU 172 Ca 0.23 -0.28 0.15 0.00 0.84 0.00 0.00 57.88 58.82 3iu1 h LEU 172 Cb 0.10 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 3iu1 h LEU 172 CO -0.03 0.42 0.24 0.22 -0.34 0.00 0.00 178.44 178.95 3iu1 h TYR 173 N -0.05 0.40 -0.28 1.25 3.20 -0.78 -1.22 116.97 119.50 3iu1 h TYR 173 Ca 0.03 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3iu1 h TYR 173 Cb 0.31 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3iu1 h TYR 173 CO 0.02 -0.00 -0.12 1.15 -1.64 0.00 0.00 178.16 177.57 3iu1 h THR 174 N 0.36 1.29 -0.34 1.81 2.02 -1.07 0.13 112.91 117.12 3iu1 h THR 174 Ca 0.41 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3iu1 h THR 174 Cb 0.66 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 3iu1 h THR 174 CO -0.45 0.38 0.04 0.25 0.37 0.00 0.00 175.52 176.12 3iu1 h LEU 175 N 0.32 -0.04 -0.21 2.58 5.85 -0.76 -1.70 115.31 121.35 3iu1 h LEU 175 Ca 0.06 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 3iu1 h LEU 175 Cb 0.63 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3iu1 h LEU 175 CO 0.04 0.02 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.60 3iu1 h LEU 176 N 0.15 0.79 -1.47 2.25 3.38 -1.14 0.09 115.31 119.37 3iu1 h LEU 176 Ca 0.16 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.67 3iu1 h LEU 176 Cb 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3iu1 h LEU 176 CO -0.23 1.21 0.47 -1.13 0.09 0.00 0.00 178.44 178.85 3iu1 h ASN 177 N 0.41 0.53 0.18 -0.43 -0.73 -0.60 -0.47 115.58 114.47 3iu1 h ASN 177 Ca -0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 3iu1 h ASN 177 Cb 1.09 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.59 3iu1 h ASN 177 CO 0.11 0.31 -1.64 -0.62 -0.37 0.00 0.00 177.43 175.22 3iu1 n GLU 178 N -4.49 0.53 0.00 6.67 1.02 -0.65 -4.70 120.64 119.02 3iu1 n GLU 178 Ca 0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3iu1 n GLU 178 Cb 0.35 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3iu1 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iu1 n ASN 179 N -2.19 0.25 -1.87 1.62 3.02 0.01 -4.89 115.26 111.21 3iu1 n ASN 179 Ca -0.02 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3iu1 n ASN 179 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3iu1 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iu1 n TYR 180 N -0.02 0.00 -1.98 3.10 9.36 -0.20 -4.70 117.16 122.72 3iu1 n TYR 180 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3iu1 n TYR 180 Cb 0.26 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.94 3iu1 n TYR 180 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iu1 s VAL 181 N 0.84 2.89 0.24 2.97 1.01 -1.26 -4.83 120.40 122.26 3iu1 s VAL 181 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3iu1 s VAL 181 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3iu1 s VAL 181 CO 0.00 0.03 0.04 -1.61 0.00 0.00 0.00 175.10 173.55 3iu1 s GLU 182 N 1.64 2.45 1.01 2.72 2.02 -1.26 -1.71 118.70 125.57 3iu1 s GLU 182 Ca 0.70 -1.26 -0.14 0.00 0.02 0.00 0.00 54.97 54.29 3iu1 s GLU 182 Cb -0.41 -2.29 0.19 0.00 0.10 0.00 0.00 34.13 31.72 3iu1 s GLU 182 CO 0.31 0.40 1.12 0.16 0.02 0.00 0.00 175.26 177.27 3iu1 s ASP 183 N -3.52 2.59 0.42 -0.19 -4.77 -0.51 -4.90 116.67 105.78 3iu1 s ASP 183 Ca 0.31 0.95 0.29 0.00 -3.30 0.00 0.00 52.55 50.80 3iu1 s ASP 183 Cb -0.07 -1.48 1.46 0.00 -1.09 0.00 0.00 42.92 41.73 3iu1 s ASP 183 CO 0.21 -3.13 1.88 -2.24 0.70 0.00 0.00 175.17 172.59 3iu1 h ASP 184 N -1.89 0.00 -0.42 2.11 2.03 -1.92 -2.02 116.42 114.30 3iu1 h ASP 184 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3iu1 h ASP 184 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 3iu1 h ASP 184 CO 0.54 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 179.22 3iu1 n ASP 185 N -2.55 3.17 -3.87 4.15 9.92 -1.26 -4.99 116.55 121.12 3iu1 n ASP 185 Ca -0.01 -1.95 -0.26 0.00 -0.53 0.00 0.00 54.79 52.05 3iu1 n ASP 185 Cb 0.12 -0.28 0.01 0.00 -0.64 0.00 0.00 41.12 40.33 3iu1 n ASP 185 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3iu1 n ASN 186 N 0.94 -1.82 -0.02 -2.24 4.13 -0.76 -4.89 115.26 110.60 3iu1 n ASN 186 Ca 0.15 -0.89 -0.01 0.00 1.68 0.00 0.00 54.58 55.52 3iu1 n ASN 186 Cb 0.49 -3.60 -0.04 0.00 -1.54 0.00 0.00 39.78 35.08 3iu1 n ASN 186 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3iu1 n MET 187 N -4.41 2.33 -4.08 3.52 2.81 -1.26 -4.89 117.12 111.13 3iu1 n MET 187 Ca -0.20 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.50 3iu1 n MET 187 Cb 0.63 -1.13 -0.16 0.00 -0.71 0.00 0.00 33.22 31.86 3iu1 n MET 187 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3iu1 s PHE 188 N -2.19 0.51 -0.05 2.03 0.08 -1.26 -0.74 117.98 116.35 3iu1 s PHE 188 Ca -0.02 -0.10 0.05 0.00 0.12 0.00 0.00 56.93 56.98 3iu1 s PHE 188 Cb 0.02 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 3iu1 s PHE 188 CO 0.21 -0.11 -0.21 0.50 -0.10 0.00 0.00 175.22 175.51 3iu1 s ARG 189 N 0.61 2.21 0.26 0.44 3.52 -1.00 -1.43 118.95 123.56 3iu1 s ARG 189 Ca -0.07 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 3iu1 s ARG 189 Cb -0.10 -1.88 -0.14 0.00 -1.56 0.00 0.00 34.95 31.26 3iu1 s ARG 189 CO -0.01 0.31 1.07 1.19 -0.81 0.00 0.00 175.30 177.06 3iu1 n PHE 190 N 3.05 1.32 -3.34 5.12 0.99 -0.69 -0.25 117.46 123.66 3iu1 n PHE 190 Ca -0.18 0.68 -0.26 0.00 -0.00 0.00 0.00 57.45 57.70 3iu1 n PHE 190 Cb 0.52 -2.27 -0.07 0.00 -1.00 0.00 0.00 39.48 36.66 3iu1 n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3iu1 n ASP 191 N 1.47 2.95 -4.71 4.37 2.03 0.42 -4.54 116.55 118.54 3iu1 n ASP 191 Ca 0.11 -3.28 -0.42 0.00 0.52 0.00 0.00 54.79 51.72 3iu1 n ASP 191 Cb 0.30 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 3iu1 n ASP 191 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3iu1 s TYR 192 N -2.25 2.78 0.63 -0.67 1.51 -1.26 -4.29 117.35 113.79 3iu1 s TYR 192 Ca 0.39 0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 56.68 3iu1 s TYR 192 Cb 0.17 -4.09 -0.03 0.00 -0.11 0.00 0.00 41.96 37.90 3iu1 s TYR 192 CO -0.04 -4.18 1.04 -1.54 -1.11 0.00 0.00 175.55 169.71 3iu1 s SER 193 N 1.52 6.05 0.24 2.29 1.04 -1.26 -4.88 113.70 118.70 3iu1 s SER 193 Ca 0.75 1.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 3iu1 s SER 193 Cb -0.47 -2.48 0.34 0.00 0.10 0.00 0.00 66.02 63.51 3iu1 s SER 193 CO 0.33 -0.99 1.85 -0.65 0.98 0.00 0.00 173.24 174.75 3iu1 h PRO 194 N -0.36 0.94 -0.44 4.02 0.11 -1.94 -0.43 132.00 133.89 3iu1 h PRO 194 Ca -0.44 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3iu1 h PRO 194 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3iu1 h PRO 194 CO 0.61 0.62 -0.09 0.93 -0.21 0.00 0.00 178.00 179.86 3iu1 h GLU 195 N 0.97 0.78 -0.47 1.05 3.07 -1.99 -1.66 114.58 116.31 3iu1 h GLU 195 Ca 0.38 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3iu1 h GLU 195 Cb 0.19 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3iu1 h GLU 195 CO -0.18 0.84 0.23 0.35 -1.40 0.00 0.00 179.01 178.85 3iu1 h PHE 196 N 0.71 0.69 -0.88 4.33 3.57 -1.76 -2.34 116.94 121.25 3iu1 h PHE 196 Ca 0.12 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3iu1 h PHE 196 Cb 0.56 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3iu1 h PHE 196 CO 0.03 0.55 0.58 -0.07 -2.23 0.00 0.00 178.31 177.17 3iu1 h LEU 197 N 0.62 0.99 -0.72 0.59 3.38 -0.62 0.70 115.31 120.25 3iu1 h LEU 197 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3iu1 h LEU 197 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3iu1 h LEU 197 CO -0.02 0.70 0.28 -0.07 0.09 0.00 0.00 178.44 179.42 3iu1 h LEU 198 N 1.16 1.00 0.02 1.67 3.38 -1.18 0.10 115.31 121.46 3iu1 h LEU 198 Ca 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iu1 h LEU 198 Cb -0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3iu1 h LEU 198 CO -0.08 0.90 -0.01 -0.25 0.09 0.00 0.00 178.44 179.09 3iu1 h TRP 199 N 1.03 -0.02 -0.26 1.13 7.01 -0.73 -0.22 115.95 123.88 3iu1 h TRP 199 Ca 0.24 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.12 3iu1 h TRP 199 Cb 0.22 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3iu1 h TRP 199 CO 0.02 -0.00 -0.33 0.00 -2.79 0.00 0.00 178.44 175.34 3iu1 h ALA 200 N 0.95 0.94 0.00 2.65 0.00 -0.71 -3.35 119.26 119.74 3iu1 h ALA 200 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3iu1 h ALA 200 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iu1 h ALA 200 CO 0.00 0.61 -1.08 1.28 0.00 0.00 0.00 179.25 180.07 3iu1 n LEU 201 N -4.07 0.44 -2.61 0.00 4.77 0.34 -4.51 117.00 111.36 3iu1 n LEU 201 Ca -0.01 -0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 55.38 3iu1 n LEU 201 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3iu1 n LEU 201 CO 0.44 0.11 0.20 0.54 -1.33 0.00 0.00 177.39 177.35 3iu1 n ARG 202 N -1.61 3.38 -1.47 3.23 1.74 -0.10 -4.85 116.66 116.99 3iu1 n ARG 202 Ca 0.01 -4.60 -0.29 0.00 -0.77 0.00 0.00 57.85 52.20 3iu1 n ARG 202 Cb 0.30 -2.25 0.18 0.00 -1.02 0.00 0.00 32.46 29.67 3iu1 n ARG 202 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iu1 s PRO 203 N -3.53 0.27 0.11 5.56 0.04 -1.26 -4.87 135.00 131.32 3iu1 s PRO 203 Ca 0.48 0.03 -0.35 0.00 0.04 0.00 0.00 61.00 61.20 3iu1 s PRO 203 Cb 0.37 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 33.00 3iu1 s PRO 203 CO -0.18 -2.73 1.52 -2.30 0.04 0.00 0.00 177.00 173.35 3iu1 n PRO 204 N -4.09 1.79 -0.58 0.56 -0.02 -1.26 -1.85 135.00 129.55 3iu1 n PRO 204 Ca 0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3iu1 n PRO 204 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3iu1 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu1 n GLY 205 N 3.19 0.74 3.68 -1.23 0.00 -1.26 -4.76 105.19 105.56 3iu1 n GLY 205 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3iu1 n GLY 205 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iu1 n TRP 206 N -2.34 1.72 -4.95 1.61 4.27 -0.77 -4.63 117.44 112.36 3iu1 n TRP 206 Ca 0.00 0.46 -0.27 0.00 -3.89 0.00 0.00 57.50 53.81 3iu1 n TRP 206 Cb 0.00 -2.29 -0.16 0.00 -1.36 0.00 0.00 31.31 27.51 3iu1 n TRP 206 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iu1 s LEU 207 N -2.37 2.01 0.29 5.67 1.43 -1.26 -5.05 118.68 119.39 3iu1 s LEU 207 Ca 0.70 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3iu1 s LEU 207 Cb -0.45 -1.02 0.41 0.00 0.03 0.00 0.00 46.19 45.16 3iu1 s LEU 207 CO 0.51 0.22 1.89 1.55 0.23 0.00 0.00 176.35 180.76 3iu1 h PRO 208 N 5.79 0.97 0.00 1.29 0.13 -1.95 -2.31 132.00 135.92 3iu1 h PRO 208 Ca -0.37 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3iu1 h PRO 208 Cb 1.15 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3iu1 h PRO 208 CO 0.48 0.74 0.00 1.04 -0.23 0.00 0.00 178.00 180.03 3iu1 n GLN 209 N -4.34 0.03 -0.11 0.86 1.13 -1.26 -2.27 117.38 111.42 3iu1 n GLN 209 Ca 0.06 0.23 0.10 0.00 -1.94 0.00 0.00 57.00 55.46 3iu1 n GLN 209 Cb 0.13 -1.55 0.33 0.00 0.11 0.00 0.00 30.24 29.26 3iu1 n GLN 209 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3iu1 n TRP 210 N -1.59 0.29 -3.52 1.08 8.01 -0.87 -4.39 117.44 116.45 3iu1 n TRP 210 Ca 0.04 -0.14 -0.41 0.00 -1.31 0.00 0.00 57.50 55.67 3iu1 n TRP 210 Cb 0.21 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.46 3iu1 n TRP 210 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3iu1 s HIS 211 N -1.71 3.74 -0.47 -5.99 3.76 -0.96 -1.50 115.29 112.15 3iu1 s HIS 211 Ca 0.33 -2.53 -0.14 0.00 -0.15 0.00 0.00 55.06 52.57 3iu1 s HIS 211 Cb 0.18 -3.51 0.09 0.00 1.11 0.00 0.00 32.58 30.45 3iu1 s HIS 211 CO 0.26 -0.89 0.39 0.00 -0.85 0.00 0.00 174.74 173.65 3iu1 s GLY 213 N 2.70 1.28 -0.10 0.00 0.00 -0.17 -1.23 107.32 109.80 3iu1 s GLY 213 Ca 0.04 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3iu1 s GLY 213 CO 0.05 -1.17 -0.20 0.14 0.00 0.00 0.00 173.10 171.92 3iu1 s VAL 214 N -2.00 1.81 0.14 1.40 1.01 -0.07 -1.00 120.40 121.69 3iu1 s VAL 214 Ca 0.35 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3iu1 s VAL 214 Cb -0.09 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3iu1 s VAL 214 CO 0.30 0.50 -0.22 -0.13 0.00 0.00 0.00 175.10 175.55 3iu1 s ARG 215 N 0.51 1.30 0.18 2.72 0.52 0.33 -0.89 118.95 123.61 3iu1 s ARG 215 Ca -0.16 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.40 3iu1 s ARG 215 Cb -0.17 -1.55 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 3iu1 s ARG 215 CO 0.06 0.34 1.45 0.08 0.02 0.00 0.00 175.30 177.26 3iu1 s VAL 216 N -1.52 2.89 0.10 3.52 1.01 -0.10 -0.99 120.40 125.31 3iu1 s VAL 216 Ca 0.13 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 3iu1 s VAL 216 Cb -0.08 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 3iu1 s VAL 216 CO 0.06 0.07 1.72 0.58 0.00 0.00 0.00 175.10 177.54 3iu1 h VAL 217 N 3.92 0.88 -0.18 2.92 2.07 -1.25 0.18 116.25 124.80 3iu1 h VAL 217 Ca -0.44 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 3iu1 h VAL 217 Cb 1.21 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3iu1 h VAL 217 CO 0.85 0.00 -0.42 0.77 0.02 0.00 0.00 177.57 178.79 3iu1 h SER 218 N -0.05 0.68 0.00 0.57 4.64 -1.92 -3.35 113.55 114.12 3iu1 h SER 218 Ca 0.03 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3iu1 h SER 218 Cb 0.09 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3iu1 h SER 218 CO -0.07 1.12 -1.69 -1.54 -0.87 0.00 0.00 176.83 173.77 3iu1 n SER 219 N -4.24 0.37 -0.05 4.97 3.41 -1.23 -4.98 113.62 111.87 3iu1 n SER 219 Ca -0.06 -0.28 -0.01 0.00 -0.26 0.00 0.00 58.87 58.27 3iu1 n SER 219 Cb 0.55 1.70 -0.00 0.00 -0.26 0.00 0.00 64.21 66.19 3iu1 n SER 219 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iu1 n ARG 220 N -2.03 -1.27 -1.72 4.33 5.12 0.62 -4.97 116.66 116.73 3iu1 n ARG 220 Ca -0.02 0.35 -0.43 0.00 -1.93 0.00 0.00 57.85 55.83 3iu1 n ARG 220 Cb 0.49 -4.32 -0.03 0.00 -1.16 0.00 0.00 32.46 27.44 3iu1 n ARG 220 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3iu1 n LYS 221 N -0.52 2.62 -2.41 5.56 4.81 -1.26 -4.54 118.16 122.43 3iu1 n LYS 221 Ca -0.01 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 57.95 3iu1 n LYS 221 Cb 0.33 -2.74 -0.02 0.00 0.02 0.00 0.00 35.03 32.61 3iu1 n LYS 221 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3iu1 s LEU 222 N 0.50 4.21 0.00 3.14 2.96 -1.26 -0.92 118.68 127.32 3iu1 s LEU 222 Ca 0.71 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 3iu1 s LEU 222 Cb -0.53 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.61 3iu1 s LEU 222 CO 0.40 -0.73 0.17 1.33 -1.32 0.00 0.00 176.35 176.20 3iu1 n VAL 223 N 5.19 0.00 -3.63 1.68 0.24 -0.07 -4.89 118.33 116.84 3iu1 n VAL 223 Ca 0.13 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3iu1 n VAL 223 Cb 0.45 1.30 -0.05 0.00 -1.47 0.00 0.00 33.84 34.06 3iu1 n VAL 223 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iu1 s GLY 224 N -0.20 -0.32 -0.03 7.63 0.00 -0.94 -0.62 107.32 112.85 3iu1 s GLY 224 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.74 3iu1 s GLY 224 CO 0.00 0.01 0.59 -0.12 0.00 0.00 0.00 173.10 173.58 3iu1 s PHE 225 N -2.88 -0.54 -0.00 1.90 5.36 -0.20 -0.89 117.98 120.74 3iu1 s PHE 225 Ca -0.03 0.88 -0.17 0.00 -0.96 0.00 0.00 56.93 56.65 3iu1 s PHE 225 Cb -0.00 0.34 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 3iu1 s PHE 225 CO -0.05 -0.57 0.37 -1.50 -1.46 0.00 0.00 175.22 172.02 3iu1 s ILE 226 N -1.34 0.05 0.05 3.12 2.07 -0.37 -1.20 121.20 123.59 3iu1 s ILE 226 Ca -0.11 -0.43 0.03 0.00 -1.41 0.00 0.00 60.65 58.72 3iu1 s ILE 226 Cb -0.01 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 3iu1 s ILE 226 CO 0.08 -0.24 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.84 3iu1 s SER 227 N -1.50 1.02 -0.01 4.50 1.04 -0.64 -1.19 113.70 116.93 3iu1 s SER 227 Ca -0.11 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.77 3iu1 s SER 227 Cb -0.03 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 3iu1 s SER 227 CO 0.03 -0.21 -0.21 0.00 0.98 0.00 0.00 173.24 173.83 3iu1 s ALA 228 N -1.62 1.72 0.05 5.32 0.00 -0.56 -1.97 121.76 124.70 3iu1 s ALA 228 Ca -0.06 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3iu1 s ALA 228 Cb -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3iu1 s ALA 228 CO 0.00 0.42 -0.16 0.96 0.00 0.00 0.00 175.76 176.98 3iu1 s ILE 229 N -0.52 1.29 0.43 0.00 -4.36 -0.70 -4.74 121.20 112.61 3iu1 s ILE 229 Ca 0.08 -1.13 -0.23 0.00 -0.26 0.00 0.00 60.65 59.11 3iu1 s ILE 229 Cb -0.08 -1.17 -0.08 0.00 1.25 0.00 0.00 42.46 42.38 3iu1 s ILE 229 CO -0.00 0.02 1.12 -2.16 0.24 0.00 0.00 174.94 174.16 3iu1 s PRO 230 N -1.28 3.93 -0.24 0.37 0.04 -1.26 -0.45 135.00 136.11 3iu1 s PRO 230 Ca 0.03 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 3iu1 s PRO 230 Cb -0.08 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 32.05 3iu1 s PRO 230 CO 0.02 -0.38 0.60 0.00 0.04 0.00 0.00 177.00 177.28 3iu1 s ALA 231 N -1.59 -1.58 -0.08 8.56 0.00 -0.48 -4.79 121.76 121.81 3iu1 s ALA 231 Ca 0.61 2.01 -0.26 0.00 0.00 0.00 0.00 51.96 54.31 3iu1 s ALA 231 Cb -0.26 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 3iu1 s ALA 231 CO 0.32 -0.33 0.84 1.21 0.00 0.00 0.00 175.76 177.80 3iu1 s ASN 232 N 1.18 7.11 -0.09 0.00 3.84 -1.26 -0.47 114.94 125.24 3iu1 s ASN 232 Ca -0.07 1.35 0.03 0.00 0.21 0.00 0.00 52.86 54.38 3iu1 s ASN 232 Cb -0.06 -2.48 0.01 0.00 -0.55 0.00 0.00 41.25 38.17 3iu1 s ASN 232 CO -0.12 -0.26 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.10 3iu1 s ILE 233 N 1.32 1.74 -0.32 -5.21 -1.09 0.01 -0.50 121.20 117.16 3iu1 s ILE 233 Ca 0.43 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.85 3iu1 s ILE 233 Cb -0.18 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3iu1 s ILE 233 CO 0.19 0.49 0.49 -2.28 -1.23 0.00 0.00 174.94 172.60 3iu1 s HIS 234 N 0.53 3.21 -0.22 3.97 2.46 0.23 -0.79 115.29 124.67 3iu1 s HIS 234 Ca -0.16 0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.68 3iu1 s HIS 234 Cb -0.17 -2.82 0.06 0.00 -0.13 0.00 0.00 32.58 29.52 3iu1 s HIS 234 CO 0.06 -0.43 -0.05 -1.50 -2.47 0.00 0.00 174.74 170.35 3iu1 s ILE 235 N 2.31 1.42 0.00 0.89 1.10 0.63 -1.20 121.20 126.35 3iu1 s ILE 235 Ca 0.18 -1.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 3iu1 s ILE 235 Cb -0.16 -1.69 0.00 0.00 0.15 0.00 0.00 42.46 40.77 3iu1 s ILE 235 CO 0.12 -0.08 0.00 -1.22 -2.11 0.00 0.00 174.94 171.65 3iu1 n TYR 236 N 4.72 0.00 1.37 3.50 4.01 0.14 -1.62 117.16 129.28 3iu1 n TYR 236 Ca -0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.64 3iu1 n TYR 236 Cb 0.45 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.54 3iu1 n TYR 236 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iu1 n ASP 237 N 3.08 0.98 -4.25 7.72 8.00 -1.26 -4.84 116.55 125.98 3iu1 n ASP 237 Ca 0.00 -2.03 -0.30 0.00 0.71 0.00 0.00 54.79 53.16 3iu1 n ASP 237 Cb 0.00 -0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 40.76 3iu1 n ASP 237 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iu1 s THR 238 N -1.72 1.93 -0.19 -3.53 2.01 -0.64 -5.11 115.64 108.39 3iu1 s THR 238 Ca 0.10 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 3iu1 s THR 238 Cb 0.06 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3iu1 s THR 238 CO 0.06 0.54 0.03 -0.70 -0.69 0.00 0.00 174.62 173.86 3iu1 s GLU 239 N -0.25 3.76 -0.04 4.92 2.12 -1.26 -0.27 118.70 127.69 3iu1 s GLU 239 Ca -0.00 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 54.91 3iu1 s GLU 239 Cb -0.12 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3iu1 s GLU 239 CO 0.02 0.12 -0.13 0.15 -0.54 0.00 0.00 175.26 174.89 3iu1 s LYS 240 N 0.74 1.41 -0.10 4.30 -0.14 0.03 -4.96 119.74 121.01 3iu1 s LYS 240 Ca 0.01 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 3iu1 s LYS 240 Cb -0.14 -1.24 -0.04 0.00 -1.68 0.00 0.00 37.83 34.73 3iu1 s LYS 240 CO 0.02 0.16 1.47 0.21 -0.76 0.00 0.00 175.35 176.44 3iu1 s LYS 241 N 0.19 4.21 0.28 1.68 2.47 -1.26 -0.81 119.74 126.51 3iu1 s LYS 241 Ca -0.05 1.95 0.03 0.00 -1.56 0.00 0.00 55.97 56.33 3iu1 s LYS 241 Cb -0.11 -3.86 -0.01 0.00 -1.46 0.00 0.00 37.83 32.40 3iu1 s LYS 241 CO 0.02 -0.76 0.10 -1.33 0.16 0.00 0.00 175.35 173.53 3iu1 n MET 242 N 6.76 0.71 -4.41 4.03 2.81 0.38 -4.59 117.12 122.81 3iu1 n MET 242 Ca 0.15 -2.36 -0.26 0.00 -1.81 0.00 0.00 57.70 53.43 3iu1 n MET 242 Cb 0.44 1.26 -0.11 0.00 -0.71 0.00 0.00 33.22 34.09 3iu1 n MET 242 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3iu1 s VAL 243 N -2.58 2.27 -0.21 2.03 -7.23 -0.97 -1.38 120.40 112.33 3iu1 s VAL 243 Ca 0.14 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3iu1 s VAL 243 Cb 0.01 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3iu1 s VAL 243 CO 0.10 -0.19 0.08 -1.61 -0.31 0.00 0.00 175.10 173.16 3iu1 s GLU 244 N -2.81 3.87 -0.19 4.82 2.02 0.40 -0.91 118.70 125.90 3iu1 s GLU 244 Ca 0.21 -0.39 -0.10 0.00 0.02 0.00 0.00 54.97 54.71 3iu1 s GLU 244 Cb -0.07 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3iu1 s GLU 244 CO 0.10 0.08 0.15 0.42 0.02 0.00 0.00 175.26 176.03 3iu1 s ILE 245 N 0.91 5.40 0.25 -1.63 -1.09 -0.86 -1.73 121.20 122.46 3iu1 s ILE 245 Ca 0.04 0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 3iu1 s ILE 245 Cb -0.14 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3iu1 s ILE 245 CO 0.03 0.44 0.52 0.21 -1.23 0.00 0.00 174.94 174.90 3iu1 s ASN 246 N 0.32 -0.12 -1.74 3.58 3.84 -0.83 -4.57 114.94 115.41 3iu1 s ASN 246 Ca 0.09 -0.85 0.00 0.00 0.21 0.00 0.00 52.86 52.31 3iu1 s ASN 246 Cb -0.11 0.61 0.00 0.00 -0.55 0.00 0.00 41.25 41.19 3iu1 s ASN 246 CO -0.01 -1.16 0.00 0.49 -2.79 0.00 0.00 177.10 173.62 3iu1 n PHE 247 N -0.39 -0.96 -1.80 0.43 3.01 -1.26 -1.62 117.46 114.87 3iu1 n PHE 247 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 3iu1 n PHE 247 Cb 0.61 -3.79 -0.03 0.00 -0.01 0.00 0.00 39.48 36.27 3iu1 n PHE 247 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iu1 s LEU 248 N -5.87 4.39 -0.19 4.37 2.96 -1.26 -4.07 118.68 119.02 3iu1 s LEU 248 Ca 0.00 2.60 -0.11 0.00 -0.22 0.00 0.00 54.13 56.39 3iu1 s LEU 248 Cb 0.00 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.20 3iu1 s LEU 248 CO 0.00 -0.98 0.47 0.00 -1.32 0.00 0.00 176.35 174.52 3iu1 s VAL 250 N 1.34 1.93 0.31 0.00 1.01 -1.26 -1.03 120.40 122.70 3iu1 s VAL 250 Ca -0.09 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 3iu1 s VAL 250 Cb -0.07 -1.66 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 3iu1 s VAL 250 CO -0.13 0.53 0.93 1.57 0.00 0.00 0.00 175.10 178.00 3iu1 n HIS 251 N 3.36 0.96 -0.30 5.22 -0.00 0.21 -4.79 115.22 119.88 3iu1 n HIS 251 Ca -0.19 0.70 0.23 0.00 0.46 0.00 0.00 57.72 58.91 3iu1 n HIS 251 Cb 0.53 -2.20 0.53 0.00 -0.12 0.00 0.00 29.99 28.72 3iu1 n HIS 251 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3iu1 h LYS 252 N 1.74 0.36 0.00 1.57 1.57 -1.90 0.17 116.57 120.08 3iu1 h LYS 252 Ca -0.39 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3iu1 h LYS 252 Cb 1.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3iu1 h LYS 252 CO 0.59 0.24 0.00 1.63 -0.57 0.00 0.00 179.45 181.33 3iu1 n LYS 253 N -4.56 0.12 -0.16 3.15 5.02 -1.26 -3.19 118.16 117.28 3iu1 n LYS 253 Ca 0.24 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 3iu1 n LYS 253 Cb 0.85 -1.65 0.16 0.00 -0.02 0.00 0.00 35.03 34.37 3iu1 n LYS 253 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3iu1 n LEU 254 N -1.86 2.90 -4.76 -0.35 0.00 0.58 -5.02 117.00 108.48 3iu1 n LEU 254 Ca 0.05 -1.66 -0.36 0.00 0.00 0.00 0.00 56.01 54.05 3iu1 n LEU 254 Cb 0.34 -0.20 0.03 0.00 0.00 0.00 0.00 43.42 43.58 3iu1 n LEU 254 CO 0.26 0.67 0.82 -0.13 0.00 0.00 0.00 177.39 179.01 3iu1 s ARG 255 N -1.08 3.06 -1.42 1.96 1.81 -1.09 -3.63 118.95 118.57 3iu1 s ARG 255 Ca 0.26 1.74 -0.03 0.00 -1.72 0.00 0.00 55.73 55.99 3iu1 s ARG 255 Cb 0.15 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 3iu1 s ARG 255 CO 0.20 -1.11 0.36 0.43 -0.68 0.00 0.00 175.30 174.50 3iu1 n SER 256 N -1.56 -5.46 -0.07 0.23 7.64 -1.26 -4.89 113.62 108.26 3iu1 n SER 256 Ca 0.13 -0.18 0.07 0.00 1.01 0.00 0.00 58.87 59.90 3iu1 n SER 256 Cb 0.50 -4.36 0.09 0.00 -1.01 0.00 0.00 64.21 59.43 3iu1 n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iu1 n LYS 257 N -3.32 1.71 -2.47 1.43 5.02 -1.24 -4.99 118.16 114.29 3iu1 n LYS 257 Ca -0.14 -2.17 -0.18 0.00 -2.02 0.00 0.00 58.31 53.80 3iu1 n LYS 257 Cb 0.62 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3iu1 n LYS 257 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iu1 n ARG 258 N -1.09 -2.07 0.07 1.97 5.12 -1.26 -4.90 116.66 114.49 3iu1 n ARG 258 Ca 0.11 0.85 -0.15 0.00 -1.93 0.00 0.00 57.85 56.73 3iu1 n ARG 258 Cb 0.53 -5.37 -0.07 0.00 -1.16 0.00 0.00 32.46 26.39 3iu1 n ARG 258 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3iu1 h VAL 259 N -0.27 1.40 -0.36 1.55 2.07 -1.94 -3.35 116.25 115.34 3iu1 h VAL 259 Ca -0.43 -2.52 0.05 0.00 0.82 0.00 0.00 66.70 64.62 3iu1 h VAL 259 Cb 1.32 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 3iu1 h VAL 259 CO 0.50 0.75 0.10 0.00 0.02 0.00 0.00 177.57 178.94 3iu1 h ALA 260 N 0.67 0.40 -0.61 1.67 0.00 -1.95 -1.22 119.26 118.22 3iu1 h ALA 260 Ca -0.10 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3iu1 h ALA 260 Cb 1.66 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 3iu1 h ALA 260 CO 0.18 -0.30 0.41 -1.35 0.00 0.00 0.00 179.25 178.18 3iu1 h PRO 261 N 0.23 0.52 -0.32 0.00 0.11 -1.99 0.01 132.00 130.55 3iu1 h PRO 261 Ca 0.17 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 3iu1 h PRO 261 Cb 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3iu1 h PRO 261 CO -0.20 0.34 -0.26 0.28 -0.21 0.00 0.00 178.00 177.95 3iu1 h VAL 262 N 0.53 1.29 -0.87 3.15 2.07 -1.41 -0.80 116.25 120.21 3iu1 h VAL 262 Ca 0.27 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3iu1 h VAL 262 Cb 0.38 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3iu1 h VAL 262 CO -0.08 0.46 0.56 -0.07 0.02 0.00 0.00 177.57 178.45 3iu1 h LEU 263 N 0.50 0.91 -0.15 2.57 3.38 -0.54 -0.60 115.31 121.38 3iu1 h LEU 263 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3iu1 h LEU 263 Cb 0.83 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3iu1 h LEU 263 CO 0.07 0.61 -0.07 0.40 0.09 0.00 0.00 178.44 179.54 3iu1 h ILE 264 N 1.06 1.31 -0.65 1.22 2.04 -0.80 -1.48 117.51 120.21 3iu1 h ILE 264 Ca 0.36 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3iu1 h ILE 264 Cb 0.06 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3iu1 h ILE 264 CO -0.13 0.32 0.25 0.03 0.00 0.00 0.00 178.15 178.62 3iu1 h ARG 265 N -0.02 0.95 -0.28 2.37 3.08 -1.03 -1.54 114.38 117.91 3iu1 h ARG 265 Ca 0.03 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 3iu1 h ARG 265 Cb 0.53 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3iu1 h ARG 265 CO 0.02 0.78 -0.38 1.49 -1.07 0.00 0.00 179.97 180.81 3iu1 h GLU 266 N 0.94 0.75 -0.41 0.04 4.57 -1.01 -0.31 114.58 119.15 3iu1 h GLU 266 Ca 0.22 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 3iu1 h GLU 266 Cb 0.19 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3iu1 h GLU 266 CO -0.02 1.06 -0.04 0.97 -1.18 0.00 0.00 179.01 179.80 3iu1 h ILE 267 N 0.49 1.24 -0.18 2.32 6.09 -1.19 -1.48 117.51 124.81 3iu1 h ILE 267 Ca 0.03 -1.00 0.02 0.00 -1.37 0.00 0.00 64.86 62.54 3iu1 h ILE 267 Cb 0.97 0.97 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 3iu1 h ILE 267 CO 0.09 0.34 0.05 0.74 -3.07 0.00 0.00 178.15 176.31 3iu1 h THR 268 N 0.64 0.95 -0.48 2.19 2.02 -1.08 0.64 112.91 117.80 3iu1 h THR 268 Ca 0.12 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3iu1 h THR 268 Cb 0.46 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3iu1 h THR 268 CO 0.02 0.03 0.25 -0.09 0.37 0.00 0.00 175.52 176.10 3iu1 h ARG 269 N 0.14 0.48 -0.06 6.66 2.43 -0.82 0.56 114.38 123.76 3iu1 h ARG 269 Ca 0.08 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3iu1 h ARG 269 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3iu1 h ARG 269 CO -0.08 0.31 -0.41 0.00 -1.51 0.00 0.00 179.97 178.28 3iu1 h ARG 270 N 0.49 0.14 -0.12 0.20 3.08 -0.94 -1.61 114.38 115.62 3iu1 h ARG 270 Ca 0.20 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 3iu1 h ARG 270 Cb 0.10 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 3iu1 h ARG 270 CO -0.14 0.53 -0.71 0.28 -1.07 0.00 0.00 179.97 178.87 3iu1 h VAL 271 N 0.12 1.31 -0.89 2.04 2.07 -0.56 -3.22 116.25 117.11 3iu1 h VAL 271 Ca 0.01 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.67 3iu1 h VAL 271 Cb 0.78 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 3iu1 h VAL 271 CO 0.06 0.61 0.57 0.45 0.02 0.00 0.00 177.57 179.28 3iu1 h HIS 272 N 0.39 0.97 -0.08 1.57 3.86 -0.52 -1.18 115.15 120.16 3iu1 h HIS 272 Ca -0.05 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3iu1 h HIS 272 Cb 1.35 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 3iu1 h HIS 272 CO 0.10 0.47 0.07 -0.07 0.86 0.00 0.00 177.93 179.36 3iu1 h LEU 273 N 0.92 0.00 -1.73 2.43 3.38 -1.31 0.15 115.31 119.15 3iu1 h LEU 273 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3iu1 h LEU 273 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iu1 h LEU 273 CO -0.16 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.75 3iu1 n GLU 274 N -4.04 2.11 -1.14 1.13 -0.58 -0.46 -4.93 120.64 112.73 3iu1 n GLU 274 Ca -0.01 -1.70 -0.01 0.00 -0.42 0.00 0.00 57.16 55.02 3iu1 n GLU 274 Cb 0.18 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3iu1 n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iu1 n GLY 275 N 1.30 0.44 3.56 0.62 0.00 0.04 -5.04 105.19 106.12 3iu1 n GLY 275 Ca 0.17 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 3iu1 n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iu1 s ILE 276 N -2.04 4.05 0.00 -0.61 1.01 -1.14 -5.01 121.20 117.46 3iu1 s ILE 276 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3iu1 s ILE 276 Cb 0.00 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3iu1 s ILE 276 CO 0.00 0.53 0.52 0.49 0.00 0.00 0.00 174.94 176.48 3iu1 n PHE 277 N 3.10 0.00 -4.27 3.97 3.72 -1.26 -3.55 117.46 119.16 3iu1 n PHE 277 Ca -0.18 -0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 56.89 3iu1 n PHE 277 Cb 0.53 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 3iu1 n PHE 277 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iu1 s GLN 278 N -0.23 1.02 0.05 -1.08 1.11 -1.26 -4.64 119.66 114.63 3iu1 s GLN 278 Ca 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 55.36 54.31 3iu1 s GLN 278 Cb 0.00 -1.17 -0.04 0.00 -1.01 0.00 0.00 33.01 30.79 3iu1 s GLN 278 CO 0.00 0.27 -0.03 0.00 0.01 0.00 0.00 175.29 175.54 3iu1 s ALA 279 N -1.16 0.49 0.03 6.09 0.00 -1.12 -2.29 121.76 123.81 3iu1 s ALA 279 Ca 0.03 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.92 3iu1 s ALA 279 Cb -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3iu1 s ALA 279 CO 0.03 -0.34 -0.22 0.54 0.00 0.00 0.00 175.76 175.77 3iu1 s VAL 280 N -3.65 1.81 0.12 0.00 0.11 -0.09 -0.56 120.40 118.14 3iu1 s VAL 280 Ca 0.05 -1.20 -0.23 0.00 -2.93 0.00 0.00 61.98 57.68 3iu1 s VAL 280 Cb 0.06 -1.55 0.06 0.00 -1.53 0.00 0.00 36.38 33.42 3iu1 s VAL 280 CO -0.09 0.31 0.57 -0.72 -3.33 0.00 0.00 175.10 171.84 3iu1 s TYR 281 N -0.74 -0.49 0.16 1.54 -0.85 -0.74 -2.02 117.35 114.21 3iu1 s TYR 281 Ca 0.09 0.37 0.10 0.00 -0.52 0.00 0.00 57.07 57.10 3iu1 s TYR 281 Cb -0.09 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 3iu1 s TYR 281 CO 0.01 -0.78 -0.22 0.95 -1.52 0.00 0.00 175.55 173.99 3iu1 s THR 282 N -3.33 2.08 0.03 -3.49 -4.23 -1.26 -0.46 115.64 104.97 3iu1 s THR 282 Ca -0.01 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 58.45 3iu1 s THR 282 Cb -0.00 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.95 3iu1 s THR 282 CO -0.09 -0.13 0.41 0.00 -0.54 0.00 0.00 174.62 174.27 3iu1 s ALA 283 N -1.59 -1.01 -0.36 3.99 0.00 -0.55 -4.98 121.76 117.26 3iu1 s ALA 283 Ca 0.16 0.37 0.24 0.00 0.00 0.00 0.00 51.96 52.72 3iu1 s ALA 283 Cb -0.08 0.28 0.45 0.00 0.00 0.00 0.00 23.12 23.77 3iu1 s ALA 283 CO 0.07 -0.42 1.65 0.78 0.00 0.00 0.00 175.76 177.84 3iu1 h GLY 284 N 3.14 0.00 -2.91 0.00 0.00 -1.87 0.97 103.07 102.40 3iu1 h GLY 284 Ca -0.31 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.52 3iu1 h GLY 284 CO 0.43 0.00 0.02 -1.34 0.00 0.00 0.00 176.54 175.65 3iu1 s VAL 285 N -3.25 4.83 -0.22 4.60 -7.23 -1.26 -4.54 120.40 113.32 3iu1 s VAL 285 Ca 0.06 0.58 -0.24 0.00 -1.81 0.00 0.00 61.98 60.56 3iu1 s VAL 285 Cb 0.06 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 3iu1 s VAL 285 CO 0.66 -0.32 0.81 -0.69 -0.31 0.00 0.00 175.10 175.25 3iu1 s VAL 286 N -2.12 4.86 0.21 1.32 1.01 -1.26 -4.79 120.40 119.63 3iu1 s VAL 286 Ca 0.50 1.55 0.06 0.00 0.00 0.00 0.00 61.98 64.09 3iu1 s VAL 286 Cb -0.10 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3iu1 s VAL 286 CO 0.26 -0.03 -0.08 -0.76 0.00 0.00 0.00 175.10 174.48 3iu1 s LEU 287 N 2.60 2.45 -0.00 3.92 1.43 -1.26 -5.11 118.68 122.71 3iu1 s LEU 287 Ca 0.35 -1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 3iu1 s LEU 287 Cb -0.16 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.52 3iu1 s LEU 287 CO 0.09 -0.32 1.49 -2.84 0.23 0.00 0.00 176.35 175.00 3iu1 s PRO 288 N -3.74 4.24 -0.03 1.29 0.02 -1.26 -3.45 135.00 132.07 3iu1 s PRO 288 Ca 0.23 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3iu1 s PRO 288 Cb 0.02 -3.65 0.02 0.00 0.02 0.00 0.00 34.50 30.91 3iu1 s PRO 288 CO 0.06 -0.66 0.00 0.21 -0.33 0.00 0.00 177.00 176.28 3iu1 s LYS 289 N 2.78 0.26 0.35 5.54 2.20 -1.23 -4.71 119.74 124.92 3iu1 s LYS 289 Ca 0.67 0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 56.07 3iu1 s LYS 289 Cb -0.33 -0.43 -0.11 0.00 -1.51 0.00 0.00 37.83 35.45 3iu1 s LYS 289 CO 0.28 -0.12 1.45 -2.14 -0.36 0.00 0.00 175.35 174.46 3iu1 s PRO 290 N 0.92 4.17 0.15 4.03 0.02 -1.22 -4.70 135.00 138.36 3iu1 s PRO 290 Ca -0.09 2.48 0.23 0.00 0.02 0.00 0.00 61.00 63.65 3iu1 s PRO 290 Cb -0.12 -3.00 0.19 0.00 0.02 0.00 0.00 34.50 31.59 3iu1 s PRO 290 CO -0.02 -0.46 1.20 -0.24 -0.33 0.00 0.00 177.00 177.15 3iu1 h VAL 291 N 3.05 0.00 -1.77 3.83 3.04 -0.93 -3.45 116.25 120.02 3iu1 h VAL 291 Ca -0.50 -0.68 0.01 0.00 -1.01 0.00 0.00 66.70 64.53 3iu1 h VAL 291 Cb 1.23 1.21 -0.22 0.00 -2.01 0.00 0.00 31.29 31.50 3iu1 h VAL 291 CO 0.66 0.00 0.36 -0.83 -1.01 0.00 0.00 177.57 176.75 3iu1 s GLY 292 N -3.92 -0.39 -0.13 3.17 0.00 -1.20 -0.26 107.32 104.59 3iu1 s GLY 292 Ca 0.04 1.91 0.01 0.00 0.00 0.00 0.00 44.72 46.67 3iu1 s GLY 292 CO 0.75 1.24 -0.13 -1.59 0.00 0.00 0.00 173.10 173.37 3iu1 s THR 293 N -0.71 1.47 0.28 0.90 2.01 -1.26 -0.40 115.64 117.93 3iu1 s THR 293 Ca -0.04 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.48 3iu1 s THR 293 Cb -0.02 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 3iu1 s THR 293 CO 0.03 0.44 -0.05 0.00 -0.69 0.00 0.00 174.62 174.35 3iu1 s ARG 295 N -3.64 2.28 0.23 0.00 1.81 -1.26 -0.30 118.95 118.07 3iu1 s ARG 295 Ca 0.32 -0.91 -0.28 0.00 -1.72 0.00 0.00 55.73 53.14 3iu1 s ARG 295 Cb -0.05 -2.07 -0.09 0.00 -0.45 0.00 0.00 34.95 32.29 3iu1 s ARG 295 CO 0.19 0.47 0.89 0.71 -0.68 0.00 0.00 175.30 176.88 3iu1 s TYR 296 N -0.40 3.91 0.12 -0.53 2.02 -1.26 -1.94 117.35 119.26 3iu1 s TYR 296 Ca 0.04 1.80 0.08 0.00 -0.37 0.00 0.00 57.07 58.62 3iu1 s TYR 296 Cb -0.12 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 3iu1 s TYR 296 CO 0.01 0.43 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.64 3iu1 s TRP 297 N -1.26 1.82 -0.00 2.71 0.52 0.44 -0.49 118.94 122.68 3iu1 s TRP 297 Ca 0.41 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.15 3iu1 s TRP 297 Cb -0.24 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.09 3iu1 s TRP 297 CO 0.29 0.24 -0.16 -3.38 0.02 0.00 0.00 176.95 173.96 3iu1 s HIS 298 N -1.36 1.41 -0.24 -1.98 -3.43 0.16 -1.61 115.29 108.25 3iu1 s HIS 298 Ca 0.09 -0.28 0.02 0.00 -0.80 0.00 0.00 55.06 54.09 3iu1 s HIS 298 Cb -0.09 -0.90 0.05 0.00 -1.43 0.00 0.00 32.58 30.21 3iu1 s HIS 298 CO 0.05 -0.01 -0.13 0.50 -2.00 0.00 0.00 174.74 173.14 3iu1 s ARG 299 N -0.48 2.47 0.13 -0.38 3.00 0.80 -0.35 118.95 124.16 3iu1 s ARG 299 Ca 0.06 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.73 53.29 3iu1 s ARG 299 Cb -0.06 -2.80 -0.10 0.00 0.00 0.00 0.00 34.95 31.99 3iu1 s ARG 299 CO -0.00 -0.46 1.64 0.45 0.00 0.00 0.00 175.30 176.93 3iu1 s SER 300 N 1.16 6.55 -0.13 -2.12 0.15 -1.26 -1.05 113.70 117.00 3iu1 s SER 300 Ca -0.05 2.62 0.01 0.00 0.70 0.00 0.00 55.95 59.23 3iu1 s SER 300 Cb -0.18 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.46 3iu1 s SER 300 CO -0.07 -0.88 -0.12 0.18 1.20 0.00 0.00 173.24 173.54 3iu1 n LEU 301 N 4.71 2.92 -3.61 3.45 4.77 -0.02 -4.79 117.00 124.42 3iu1 n LEU 301 Ca 0.15 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 3iu1 n LEU 301 Cb 0.39 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 3iu1 n LEU 301 CO 0.63 0.71 0.01 -3.20 -1.33 0.00 0.00 177.39 174.21 3iu1 n ASN 302 N -2.92 3.21 0.03 -1.43 2.85 -0.30 -4.94 115.26 111.76 3iu1 n ASN 302 Ca -0.24 -3.29 0.07 0.00 -0.11 0.00 0.00 54.58 51.01 3iu1 n ASN 302 Cb 0.75 -0.70 0.50 0.00 1.24 0.00 0.00 39.78 41.56 3iu1 n ASN 302 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iu1 h PRO 303 N 4.71 0.38 -0.49 1.20 0.13 -1.87 -2.05 132.00 134.02 3iu1 h PRO 303 Ca 0.18 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 3iu1 h PRO 303 Cb 0.71 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 3iu1 h PRO 303 CO 0.76 0.25 0.29 -0.09 -0.23 0.00 0.00 178.00 178.98 3iu1 h ARG 304 N 0.39 0.55 -0.35 0.86 2.43 -1.94 -0.27 114.38 116.06 3iu1 h ARG 304 Ca 0.16 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3iu1 h ARG 304 Cb 0.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3iu1 h ARG 304 CO -0.04 0.37 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.28 3iu1 h LYS 305 N 0.57 0.81 -0.53 0.20 3.64 -1.81 -1.97 116.57 117.48 3iu1 h LYS 305 Ca 0.20 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3iu1 h LYS 305 Cb 0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3iu1 h LYS 305 CO -0.09 1.04 0.21 -0.07 -2.27 0.00 0.00 179.45 178.27 3iu1 h LEU 306 N 0.60 0.69 -0.20 5.20 3.38 -1.09 -0.85 115.31 123.05 3iu1 h LEU 306 Ca 0.06 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3iu1 h LEU 306 Cb 0.87 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3iu1 h LEU 306 CO 0.08 0.62 -0.53 0.40 0.09 0.00 0.00 178.44 179.09 3iu1 h ILE 307 N 0.75 1.31 -0.26 1.22 2.04 -1.06 0.19 117.51 121.70 3iu1 h ILE 307 Ca 0.18 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.33 3iu1 h ILE 307 Cb 0.14 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3iu1 h ILE 307 CO -0.02 0.55 -0.04 -0.08 0.00 0.00 0.00 178.15 178.57 3iu1 h GLU 308 N 0.41 0.03 -0.20 2.37 4.81 -0.76 -1.97 114.58 119.27 3iu1 h GLU 308 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3iu1 h GLU 308 Cb 1.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3iu1 h GLU 308 CO 0.11 0.02 0.00 1.33 -0.73 0.00 0.00 179.01 179.74 3iu1 n VAL 309 N -5.20 0.26 -2.49 0.32 0.24 -0.38 -4.91 118.33 106.17 3iu1 n VAL 309 Ca -0.01 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 3iu1 n VAL 309 Cb 0.15 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.66 3iu1 n VAL 309 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3iu1 n LYS 310 N 0.10 -2.24 -0.13 7.34 0.00 -0.74 -4.86 118.16 117.63 3iu1 n LYS 310 Ca 0.09 0.71 -0.12 0.00 -0.00 0.00 0.00 58.31 58.99 3iu1 n LYS 310 Cb 0.20 -5.34 -0.00 0.00 -0.00 0.00 0.00 35.03 29.89 3iu1 n LYS 310 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 3iu1 h PHE 311 N -0.09 1.12 -1.91 5.58 3.57 -1.00 -3.46 116.94 120.75 3iu1 h PHE 311 Ca -0.36 -0.31 -0.60 0.00 3.53 0.00 0.00 57.97 60.23 3iu1 h PHE 311 Cb 1.26 -0.25 -0.13 0.00 2.79 0.00 0.00 35.95 39.62 3iu1 h PHE 311 CO 0.66 1.13 -0.63 -1.12 -2.23 0.00 0.00 178.31 176.12 3iu1 s SER 312 N -6.79 3.64 0.11 0.41 0.01 0.03 -4.99 113.70 106.12 3iu1 s SER 312 Ca -0.11 -1.31 0.06 0.00 1.31 0.00 0.00 55.95 55.91 3iu1 s SER 312 Cb 0.12 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3iu1 s SER 312 CO 0.88 -0.38 -0.15 -1.38 0.41 0.00 0.00 173.24 172.61 3iu1 s HIS 313 N -2.75 1.45 0.00 2.43 -3.43 -1.26 -4.14 115.29 107.59 3iu1 s HIS 313 Ca 0.34 -0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 3iu1 s HIS 313 Cb 0.07 -0.77 -0.07 0.00 -1.43 0.00 0.00 32.58 30.39 3iu1 s HIS 313 CO 0.17 0.15 1.65 -0.51 -2.00 0.00 0.00 174.74 174.20 3iu1 s LEU 314 N -2.28 4.34 0.59 5.38 1.43 -1.26 -4.98 118.68 121.91 3iu1 s LEU 314 Ca 0.07 2.34 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 3iu1 s LEU 314 Cb -0.06 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3iu1 s LEU 314 CO 0.03 -0.90 1.17 -0.44 0.23 0.00 0.00 176.35 176.44 3iu1 s SER 315 N 2.92 5.30 0.22 2.29 0.01 -1.26 -4.95 113.70 118.22 3iu1 s SER 315 Ca 0.73 2.27 -0.32 0.00 1.31 0.00 0.00 55.95 59.94 3iu1 s SER 315 Cb -0.36 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.14 3iu1 s SER 315 CO 0.31 -1.51 1.37 0.54 0.41 0.00 0.00 173.24 174.36 3iu1 n ARG 316 N -1.66 1.85 -1.79 12.44 1.74 -1.26 -2.23 116.66 125.74 3iu1 n ARG 316 Ca 0.13 0.66 -0.16 0.00 -0.77 0.00 0.00 57.85 57.70 3iu1 n ARG 316 Cb 0.50 -2.29 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 3iu1 n ARG 316 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3iu1 n ASN 317 N 2.24 -4.90 -3.91 0.55 3.02 -1.26 -4.99 115.26 106.01 3iu1 n ASN 317 Ca 0.13 0.24 -0.23 0.00 -0.03 0.00 0.00 54.58 54.69 3iu1 n ASN 317 Cb 0.30 -3.89 -0.17 0.00 -0.61 0.00 0.00 39.78 35.41 3iu1 n ASN 317 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3iu1 s MET 318 N -3.92 1.14 0.76 3.52 1.75 -0.95 -5.15 119.30 116.45 3iu1 s MET 318 Ca 0.00 -0.18 -0.09 0.00 -1.25 0.00 0.00 55.69 54.16 3iu1 s MET 318 Cb 0.00 -1.12 0.07 0.00 2.84 0.00 0.00 34.83 36.61 3iu1 s MET 318 CO 0.00 -0.11 1.10 0.95 -0.65 0.00 0.00 175.02 176.31 3iu1 s THR 319 N 1.11 2.20 0.26 10.11 -4.23 -1.26 -4.50 115.64 119.33 3iu1 s THR 319 Ca -0.07 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3iu1 s THR 319 Cb -0.14 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.91 3iu1 s THR 319 CO -0.01 -0.03 1.90 -0.03 -0.54 0.00 0.00 174.62 175.92 3iu1 h MET 320 N -0.82 1.16 -0.46 3.99 4.05 -1.99 -1.26 114.93 119.60 3iu1 h MET 320 Ca -0.45 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 58.83 3iu1 h MET 320 Cb 1.32 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 3iu1 h MET 320 CO 0.63 0.83 0.21 1.96 0.23 0.00 0.00 176.91 180.76 3iu1 h GLN 321 N 1.18 0.68 -0.09 0.39 7.50 -1.99 -1.10 115.11 121.68 3iu1 h GLN 321 Ca 0.30 -0.11 -0.13 0.00 0.50 0.00 0.00 58.65 59.22 3iu1 h GLN 321 Cb -0.03 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 3iu1 h GLN 321 CO -0.05 0.60 -0.52 -0.09 -1.50 0.00 0.00 178.83 177.27 3iu1 h ARG 322 N 0.61 0.24 -0.30 1.46 2.43 -1.90 -2.10 114.38 114.81 3iu1 h ARG 322 Ca 0.16 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3iu1 h ARG 322 Cb 0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3iu1 h ARG 322 CO -0.02 0.70 0.03 1.15 -1.51 0.00 0.00 179.97 180.32 3iu1 h THR 323 N 0.19 1.24 -0.48 0.20 2.02 -0.94 0.38 112.91 115.51 3iu1 h THR 323 Ca 0.01 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3iu1 h THR 323 Cb 0.97 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3iu1 h THR 323 CO 0.08 0.28 0.08 0.24 0.37 0.00 0.00 175.52 176.57 3iu1 h MET 324 N 0.32 0.75 -0.15 6.66 2.86 -1.17 -2.30 114.93 121.90 3iu1 h MET 324 Ca 0.09 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3iu1 h MET 324 Cb 0.39 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3iu1 h MET 324 CO 0.01 0.70 0.06 -0.22 1.06 0.00 0.00 176.91 178.53 3iu1 h LYS 325 N 0.72 0.23 -0.87 1.72 3.64 -1.14 -1.73 116.57 119.14 3iu1 h LYS 325 Ca 0.15 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3iu1 h LYS 325 Cb 0.32 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3iu1 h LYS 325 CO 0.00 0.32 0.54 1.25 -2.27 0.00 0.00 179.45 179.29 3iu1 h LEU 326 N 0.09 0.84 -1.31 5.20 5.85 -0.66 -2.85 115.31 122.47 3iu1 h LEU 326 Ca 0.05 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3iu1 h LEU 326 Cb 0.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3iu1 h LEU 326 CO -0.00 0.53 -0.06 -1.22 -0.34 0.00 0.00 178.44 177.35 3iu1 n TYR 327 N -4.62 0.00 -1.91 1.25 4.01 -0.89 -4.96 117.16 110.03 3iu1 n TYR 327 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.46 3iu1 n TYR 327 Cb 0.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 3iu1 n TYR 327 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3iu1 s ARG 328 N -2.08 4.20 0.25 -0.72 3.52 -0.66 -4.89 118.95 118.58 3iu1 s ARG 328 Ca 0.31 2.44 0.12 0.00 -0.13 0.00 0.00 55.73 58.47 3iu1 s ARG 328 Cb 0.20 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 3iu1 s ARG 328 CO 0.35 -0.44 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.69 3iu1 s LEU 329 N -1.58 2.54 0.77 -0.88 1.43 -1.26 -5.06 118.68 114.64 3iu1 s LEU 329 Ca 0.54 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 3iu1 s LEU 329 Cb -0.44 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 44.70 3iu1 s LEU 329 CO 0.56 0.06 0.90 -2.65 0.23 0.00 0.00 176.35 175.44 3iu1 n PRO 330 N -0.33 0.29 0.12 1.29 -0.02 -1.26 -4.93 135.00 130.16 3iu1 n PRO 330 Ca -0.08 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.55 3iu1 n PRO 330 Cb 0.59 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3iu1 n PRO 330 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iu1 h GLU 331 N -0.60 0.00 -5.15 -0.52 5.08 -2.00 -3.46 114.58 107.94 3iu1 h GLU 331 Ca -0.46 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.52 3iu1 h GLU 331 Cb 1.32 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 3iu1 h GLU 331 CO 0.45 0.69 -0.77 0.95 -1.00 0.00 0.00 179.01 179.32 3iu1 s THR 332 N -3.05 0.97 0.67 1.13 -4.23 -1.26 -4.89 115.64 104.98 3iu1 s THR 332 Ca 0.02 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 3iu1 s THR 332 Cb 0.10 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.97 3iu1 s THR 332 CO 0.77 -0.28 1.15 -2.16 -0.54 0.00 0.00 174.62 173.56 3iu1 s PRO 333 N -1.75 2.65 -0.03 3.99 0.04 -1.26 -4.99 135.00 133.65 3iu1 s PRO 333 Ca -0.04 1.56 0.21 0.00 0.04 0.00 0.00 61.00 62.77 3iu1 s PRO 333 Cb -0.10 -1.92 -0.27 0.00 0.04 0.00 0.00 34.50 32.26 3iu1 s PRO 333 CO 0.02 -1.40 0.49 0.36 0.04 0.00 0.00 177.00 176.51 3iu1 n LYS 334 N -2.36 0.66 -2.01 4.56 2.85 -1.26 -4.95 118.16 115.64 3iu1 n LYS 334 Ca 0.12 -0.09 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 3iu1 n LYS 334 Cb 0.51 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 3iu1 n LYS 334 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3iu1 s THR 335 N -3.25 3.30 0.21 0.58 2.01 -1.26 -4.93 115.64 112.30 3iu1 s THR 335 Ca -0.07 0.68 -0.32 0.00 0.31 0.00 0.00 61.69 62.28 3iu1 s THR 335 Cb 0.11 -3.43 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 3iu1 s THR 335 CO 0.87 -0.01 1.73 0.00 -0.69 0.00 0.00 174.62 176.52 3iu1 n ALA 336 N 5.83 2.85 -1.00 7.40 0.00 -1.26 -2.81 120.51 131.53 3iu1 n ALA 336 Ca 0.15 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 3iu1 n ALA 336 Cb 0.42 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.34 3iu1 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iu1 n GLY 337 N 3.99 0.46 3.71 0.00 0.00 -1.26 -4.61 105.19 107.49 3iu1 n GLY 337 Ca 0.16 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3iu1 n GLY 337 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu1 s LEU 338 N -0.01 4.37 0.13 0.99 2.96 -1.12 -1.09 118.68 124.90 3iu1 s LEU 338 Ca 0.00 2.03 -0.19 0.00 -0.22 0.00 0.00 54.13 55.76 3iu1 s LEU 338 Cb 0.00 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.16 3iu1 s LEU 338 CO 0.00 -0.49 0.47 0.00 -1.32 0.00 0.00 176.35 175.01 3iu1 s ARG 339 N 1.14 1.12 0.49 1.98 1.70 -0.30 -4.98 118.95 120.08 3iu1 s ARG 339 Ca 0.59 -0.59 -0.24 0.00 -0.47 0.00 0.00 55.73 55.03 3iu1 s ARG 339 Cb -0.30 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 3iu1 s ARG 339 CO 0.29 -0.45 1.31 -2.30 -1.08 0.00 0.00 175.30 173.07 3iu1 n PRO 340 N -0.19 1.83 -1.84 3.89 -0.02 -1.26 -0.22 135.00 137.19 3iu1 n PRO 340 Ca -0.17 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3iu1 n PRO 340 Cb 0.64 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 3iu1 n PRO 340 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3iu1 s MET 341 N -2.53 4.15 0.42 -0.52 -2.45 -0.24 -4.64 119.30 113.47 3iu1 s MET 341 Ca 0.66 2.52 0.05 0.00 -1.25 0.00 0.00 55.69 57.67 3iu1 s MET 341 Cb -0.46 -3.01 -0.06 0.00 1.25 0.00 0.00 34.83 32.56 3iu1 s MET 341 CO 0.54 -0.52 0.02 -1.21 1.05 0.00 0.00 175.02 174.90 3iu1 s GLU 342 N -1.43 1.95 0.26 4.11 2.02 -1.26 -4.59 118.70 119.76 3iu1 s GLU 342 Ca 0.56 -2.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.40 3iu1 s GLU 342 Cb -0.46 -1.44 0.50 0.00 0.10 0.00 0.00 34.13 32.82 3iu1 s GLU 342 CO 0.56 -0.15 1.78 1.15 0.02 0.00 0.00 175.26 178.62 3iu1 h THR 343 N 1.75 0.80 0.00 3.63 2.02 -2.03 -0.76 112.91 118.32 3iu1 h THR 343 Ca -0.43 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3iu1 h THR 343 Cb 1.26 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3iu1 h THR 343 CO 0.77 0.13 0.00 0.07 0.37 0.00 0.00 175.52 176.86 3iu1 h LYS 344 N 0.71 0.00 -0.00 6.66 2.10 -2.02 -2.27 116.57 121.75 3iu1 h LYS 344 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3iu1 h LYS 344 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 3iu1 h LYS 344 CO -0.32 0.00 -0.35 -0.25 -2.00 0.00 0.00 179.45 176.53 3iu1 n ASP 345 N -2.95 0.65 -0.08 7.07 8.00 -0.29 -4.42 116.55 124.52 3iu1 n ASP 345 Ca -0.02 -0.45 -0.06 0.00 0.71 0.00 0.00 54.79 54.96 3iu1 n ASP 345 Cb 0.09 0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3iu1 n ASP 345 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iu1 h ILE 346 N 0.46 0.74 -0.45 0.53 2.04 -1.48 -0.34 117.51 119.02 3iu1 h ILE 346 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3iu1 h ILE 346 Cb 0.49 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3iu1 h ILE 346 CO 0.00 0.01 0.29 -0.65 0.00 0.00 0.00 178.15 177.80 3iu1 h PRO 347 N 0.05 0.60 -0.19 2.37 0.11 -1.82 -1.52 132.00 131.59 3iu1 h PRO 347 Ca 0.15 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.06 3iu1 h PRO 347 Cb 0.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3iu1 h PRO 347 CO -0.28 0.41 -0.51 -0.24 -0.21 0.00 0.00 178.00 177.18 3iu1 h VAL 348 N 0.60 1.32 -0.58 3.15 3.04 -1.77 -0.33 116.25 121.68 3iu1 h VAL 348 Ca 0.16 -1.74 -0.00 0.00 -1.01 0.00 0.00 66.70 64.11 3iu1 h VAL 348 Cb -0.05 1.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 3iu1 h VAL 348 CO -0.03 0.54 0.37 0.58 -1.01 0.00 0.00 177.57 178.01 3iu1 h VAL 349 N 0.41 1.17 -0.22 1.51 2.07 -0.97 0.17 116.25 120.39 3iu1 h VAL 349 Ca 0.02 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3iu1 h VAL 349 Cb 1.03 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3iu1 h VAL 349 CO 0.09 0.17 0.12 -0.74 0.02 0.00 0.00 177.57 177.23 3iu1 h HIS 350 N 0.79 0.23 -0.15 1.57 6.17 -0.91 -0.20 115.15 122.65 3iu1 h HIS 350 Ca 0.21 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3iu1 h HIS 350 Cb -0.04 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 3iu1 h HIS 350 CO -0.03 0.14 0.09 0.37 0.71 0.00 0.00 177.93 179.21 3iu1 h GLN 351 N 0.26 0.18 -0.41 5.26 4.15 -0.72 -1.45 115.11 122.38 3iu1 h GLN 351 Ca 0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3iu1 h GLN 351 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3iu1 h GLN 351 CO -0.05 0.12 0.22 -0.07 -1.93 0.00 0.00 178.83 177.12 3iu1 h LEU 352 N 0.19 0.51 -0.42 -2.39 3.38 -0.43 -2.37 115.31 113.77 3iu1 h LEU 352 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3iu1 h LEU 352 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3iu1 h LEU 352 CO -0.03 0.46 0.22 0.25 0.09 0.00 0.00 178.44 179.43 3iu1 h LEU 353 N 0.52 0.53 -0.33 1.67 5.85 -0.96 -1.47 115.31 121.13 3iu1 h LEU 353 Ca 0.14 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3iu1 h LEU 353 Cb 0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3iu1 h LEU 353 CO -0.02 0.48 0.20 0.74 -0.34 0.00 0.00 178.44 179.50 3iu1 h THR 354 N 0.54 1.11 -0.57 1.05 2.02 -1.04 -1.07 112.91 114.94 3iu1 h THR 354 Ca 0.15 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3iu1 h THR 354 Cb 0.08 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3iu1 h THR 354 CO -0.02 0.11 -0.02 -0.09 0.37 0.00 0.00 175.52 175.87 3iu1 h ARG 355 N 0.42 1.02 -0.72 6.66 2.43 -1.41 -3.18 114.38 119.62 3iu1 h ARG 355 Ca 0.12 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3iu1 h ARG 355 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3iu1 h ARG 355 CO -0.02 1.02 0.25 -0.92 -1.51 0.00 0.00 179.97 178.79 3iu1 h TYR 356 N 0.91 1.12 0.00 2.20 3.20 -0.86 -2.90 116.97 120.64 3iu1 h TYR 356 Ca 0.16 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3iu1 h TYR 356 Cb 0.57 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3iu1 h TYR 356 CO 0.04 0.87 0.00 -0.07 -1.64 0.00 0.00 178.16 177.36 3iu1 h LEU 357 N 1.06 0.00 -1.75 2.82 3.38 -1.18 -3.26 115.31 116.37 3iu1 h LEU 357 Ca 0.24 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.34 3iu1 h LEU 357 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3iu1 h LEU 357 CO -0.01 0.00 0.42 0.11 0.09 0.00 0.00 178.44 179.04 3iu1 h LYS 358 N 0.00 0.25 0.00 1.13 1.57 -1.55 -2.07 116.57 115.90 3iu1 h LYS 358 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3iu1 h LYS 358 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3iu1 h LYS 358 CO 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3iu1 n GLN 359 N -4.44 0.17 -3.31 3.15 10.64 -1.23 -4.80 117.38 117.55 3iu1 n GLN 359 Ca 0.11 0.33 -0.18 0.00 -1.83 0.00 0.00 57.00 55.43 3iu1 n GLN 359 Cb 0.49 -1.79 -0.00 0.00 -0.86 0.00 0.00 30.24 28.08 3iu1 n GLN 359 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iu1 s PHE 360 N -3.21 2.99 -0.55 2.61 0.08 -0.78 -4.99 117.98 114.14 3iu1 s PHE 360 Ca 0.06 -0.29 0.17 0.00 0.12 0.00 0.00 56.93 56.99 3iu1 s PHE 360 Cb 0.10 -2.13 -0.21 0.00 -0.57 0.00 0.00 43.02 40.22 3iu1 s PHE 360 CO 0.43 -0.15 0.60 0.72 -0.10 0.00 0.00 175.22 176.72 3iu1 n HIS 361 N -1.71 0.00 -3.68 0.36 8.25 0.33 -4.83 115.22 113.94 3iu1 n HIS 361 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.21 3iu1 n HIS 361 Cb 0.58 -0.12 -0.16 0.00 1.12 0.00 0.00 29.99 31.41 3iu1 n HIS 361 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iu1 s LEU 362 N -3.23 0.93 0.06 2.41 2.96 -1.19 -0.69 118.68 119.94 3iu1 s LEU 362 Ca 0.02 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 3iu1 s LEU 362 Cb 0.12 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 3iu1 s LEU 362 CO 0.70 -0.34 0.08 0.42 -1.32 0.00 0.00 176.35 175.89 3iu1 s THR 363 N 1.95 0.17 0.48 3.68 -4.23 -0.34 -0.00 115.64 117.35 3iu1 s THR 363 Ca 0.01 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 3iu1 s THR 363 Cb -0.17 -1.35 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 3iu1 s THR 363 CO -0.11 -0.79 0.93 -2.16 -0.54 0.00 0.00 174.62 171.95 3iu1 s PRO 364 N -3.70 3.94 -0.33 3.99 0.04 -1.26 -0.60 135.00 137.09 3iu1 s PRO 364 Ca 0.04 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 3iu1 s PRO 364 Cb 0.05 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.47 3iu1 s PRO 364 CO -0.10 -0.19 0.04 0.08 0.04 0.00 0.00 177.00 176.87 3iu1 s VAL 365 N -2.52 2.78 -0.12 -0.36 1.01 0.35 -4.74 120.40 116.79 3iu1 s VAL 365 Ca 0.57 -1.78 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 3iu1 s VAL 365 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3iu1 s VAL 365 CO 0.29 -0.33 0.09 -0.04 0.00 0.00 0.00 175.10 175.12 3iu1 s MET 366 N 1.13 3.42 0.94 2.72 -1.94 -1.26 -4.26 119.30 120.05 3iu1 s MET 366 Ca 0.01 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 3iu1 s MET 366 Cb -0.20 -3.10 0.16 0.00 2.01 0.00 0.00 34.83 33.70 3iu1 s MET 366 CO -0.04 0.67 1.11 -1.54 -0.01 0.00 0.00 175.02 175.22 3iu1 s SER 367 N -0.75 3.17 0.34 3.03 1.04 -1.26 -4.84 113.70 114.42 3iu1 s SER 367 Ca 0.13 1.12 0.05 0.00 0.48 0.00 0.00 55.95 57.72 3iu1 s SER 367 Cb -0.12 -1.75 0.61 0.00 0.10 0.00 0.00 66.02 64.87 3iu1 s SER 367 CO 0.03 -2.78 1.87 -0.61 0.98 0.00 0.00 173.24 172.72 3iu1 h GLN 368 N -1.65 0.47 -0.69 4.02 4.15 -1.98 -0.78 115.11 118.64 3iu1 h GLN 368 Ca -0.52 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 58.71 3iu1 h GLN 368 Cb 1.32 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 3iu1 h GLN 368 CO 0.59 0.54 0.13 0.93 -1.93 0.00 0.00 178.83 179.09 3iu1 h GLU 369 N 0.45 1.13 -0.42 1.69 4.39 -1.98 -1.84 114.58 118.00 3iu1 h GLU 369 Ca 0.09 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 3iu1 h GLU 369 Cb 0.37 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3iu1 h GLU 369 CO 0.02 1.02 -0.14 0.93 -1.16 0.00 0.00 179.01 179.68 3iu1 h GLU 370 N 1.06 0.78 -0.64 2.33 5.08 -1.74 -1.91 114.58 119.53 3iu1 h GLU 370 Ca 0.21 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3iu1 h GLU 370 Cb 0.43 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3iu1 h GLU 370 CO 0.01 0.87 0.31 0.28 -1.00 0.00 0.00 179.01 179.49 3iu1 h VAL 371 N 0.70 1.22 -0.06 3.13 2.07 -0.96 0.57 116.25 122.91 3iu1 h VAL 371 Ca 0.11 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3iu1 h VAL 371 Cb 0.62 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3iu1 h VAL 371 CO 0.04 0.25 -0.14 -0.08 0.02 0.00 0.00 177.57 177.66 3iu1 h GLU 372 N 0.88 -0.20 -0.11 1.57 4.22 -1.13 -1.02 114.58 118.79 3iu1 h GLU 372 Ca 0.22 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3iu1 h GLU 372 Cb 0.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3iu1 h GLU 372 CO -0.03 -0.13 0.06 1.25 -2.18 0.00 0.00 179.01 177.98 3iu1 h HIS 373 N -0.20 0.12 0.00 0.92 2.76 -0.87 -1.25 115.15 116.62 3iu1 h HIS 373 Ca 0.07 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 3iu1 h HIS 373 Cb 0.30 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3iu1 h HIS 373 CO -0.23 0.07 -0.29 -1.49 -1.30 0.00 0.00 177.93 174.70 3iu1 h TRP 374 N 0.13 0.00 0.00 5.26 4.06 -0.77 -3.38 115.95 121.25 3iu1 h TRP 374 Ca 0.04 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.93 3iu1 h TRP 374 Cb -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3iu1 h TRP 374 CO -0.08 0.29 -1.26 1.19 -3.56 0.00 0.00 178.44 175.01 3iu1 n PHE 375 N -3.23 0.00 -1.68 0.49 3.72 -0.40 -4.99 117.46 111.37 3iu1 n PHE 375 Ca 0.02 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.96 3iu1 n PHE 375 Cb 0.59 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 3iu1 n PHE 375 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iu1 n TYR 376 N -2.11 2.41 -1.79 1.38 9.36 -0.48 -4.27 117.16 121.65 3iu1 n TYR 376 Ca -0.06 0.03 -0.42 0.00 3.32 0.00 0.00 57.90 60.78 3iu1 n TYR 376 Cb 0.59 -2.65 -0.02 0.00 -0.63 0.00 0.00 39.34 36.64 3iu1 n TYR 376 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3iu1 s PRO 377 N 2.60 4.14 -0.11 2.98 0.02 -1.26 -4.89 135.00 138.47 3iu1 s PRO 377 Ca 0.85 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 64.41 3iu1 s PRO 377 Cb -0.62 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 30.88 3iu1 s PRO 377 CO 0.42 -0.64 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.75 3iu1 s GLN 378 N -0.07 1.35 0.20 5.54 -0.21 -0.26 -5.00 119.66 121.22 3iu1 s GLN 378 Ca 0.66 -0.23 -0.32 0.00 0.02 0.00 0.00 55.36 55.48 3iu1 s GLN 378 Cb -0.48 -1.55 -0.14 0.00 1.00 0.00 0.00 33.01 31.84 3iu1 s GLN 378 CO 0.43 -0.30 1.37 0.39 -2.12 0.00 0.00 175.29 175.07 3iu1 n GLU 379 N 4.97 1.81 -1.42 2.91 -0.58 -1.26 -1.31 120.64 125.76 3iu1 n GLU 379 Ca -0.11 0.65 -0.14 0.00 -0.42 0.00 0.00 57.16 57.13 3iu1 n GLU 379 Cb 0.50 -2.28 -0.06 0.00 -0.57 0.00 0.00 31.44 29.02 3iu1 n GLU 379 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3iu1 n ASN 380 N 2.32 -4.90 0.11 1.62 3.02 -1.26 -4.75 115.26 111.41 3iu1 n ASN 380 Ca 0.13 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 3iu1 n ASN 380 Cb 0.29 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 3iu1 n ASN 380 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iu1 n ILE 381 N -2.53 0.35 -3.76 2.41 5.41 -0.42 -4.67 119.36 116.15 3iu1 n ILE 381 Ca -0.14 0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.59 3iu1 n ILE 381 Cb 0.50 -0.78 -0.14 0.00 -0.71 0.00 0.00 39.64 38.50 3iu1 n ILE 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3iu1 s ILE 382 N -1.89 -0.04 -0.07 1.39 1.10 -0.46 -0.88 121.20 120.35 3iu1 s ILE 382 Ca 0.00 0.16 0.05 0.00 -0.51 0.00 0.00 60.65 60.35 3iu1 s ILE 382 Cb 0.00 -0.22 -0.01 0.00 0.15 0.00 0.00 42.46 42.38 3iu1 s ILE 382 CO 0.00 0.06 -0.23 -1.81 -2.11 0.00 0.00 174.94 170.85 3iu1 s ASP 383 N 1.02 3.21 -0.03 4.50 1.01 -0.46 -1.11 116.67 124.80 3iu1 s ASP 383 Ca -0.08 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 52.70 3iu1 s ASP 383 Cb -0.10 -0.96 0.03 0.00 1.01 0.00 0.00 42.92 42.90 3iu1 s ASP 383 CO -0.05 0.24 -0.01 -0.89 0.21 0.00 0.00 175.17 174.67 3iu1 s THR 384 N -0.11 0.24 -0.06 -1.27 2.01 -1.26 -1.43 115.64 113.76 3iu1 s THR 384 Ca -0.05 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.07 3iu1 s THR 384 Cb -0.14 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3iu1 s THR 384 CO 0.04 0.16 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.54 3iu1 s PHE 385 N 1.07 2.34 0.18 4.92 0.08 -0.16 -1.08 117.98 125.33 3iu1 s PHE 385 Ca -0.09 -0.70 0.06 0.00 0.12 0.00 0.00 56.93 56.32 3iu1 s PHE 385 Cb -0.14 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3iu1 s PHE 385 CO -0.02 -0.22 0.08 0.14 -0.10 0.00 0.00 175.22 175.11 3iu1 s VAL 386 N -0.13 4.11 -0.37 -0.44 -7.23 0.69 -0.76 120.40 116.28 3iu1 s VAL 386 Ca -0.04 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 3iu1 s VAL 386 Cb -0.14 -3.11 0.01 0.00 0.56 0.00 0.00 36.38 33.71 3iu1 s VAL 386 CO 0.04 -0.15 0.24 -0.69 -0.31 0.00 0.00 175.10 174.22 3iu1 s VAL 387 N -1.82 4.96 -0.30 1.32 1.01 0.03 -1.15 120.40 124.45 3iu1 s VAL 387 Ca 0.30 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3iu1 s VAL 387 Cb -0.09 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3iu1 s VAL 387 CO 0.21 -0.16 0.14 -0.70 0.00 0.00 0.00 175.10 174.60 3iu1 s GLU 388 N 1.64 3.39 0.52 2.72 2.12 -0.25 -1.34 118.70 127.50 3iu1 s GLU 388 Ca 0.04 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.60 3iu1 s GLU 388 Cb -0.18 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 30.78 3iu1 s GLU 388 CO 0.09 -0.39 0.69 0.27 -0.54 0.00 0.00 175.26 175.38 3iu1 n ASN 389 N 4.98 -0.03 0.28 -1.70 0.23 0.20 -4.31 115.26 114.90 3iu1 n ASN 389 Ca -0.14 -1.23 0.19 0.00 -0.53 0.00 0.00 54.58 52.87 3iu1 n ASN 389 Cb 0.49 -0.53 0.90 0.00 -2.08 0.00 0.00 39.78 38.56 3iu1 n ASN 389 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iu1 h ALA 390 N -1.92 1.00 -0.48 -2.53 0.00 -1.95 -1.70 119.26 111.69 3iu1 h ALA 390 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3iu1 h ALA 390 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3iu1 h ALA 390 CO 0.16 0.00 0.06 -1.71 0.00 0.00 0.00 179.25 177.76 3iu1 n ASN 391 N -2.93 4.57 0.00 0.00 5.15 -1.26 -4.94 115.26 115.85 3iu1 n ASN 391 Ca -0.01 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 3iu1 n ASN 391 Cb 0.17 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 3iu1 n ASN 391 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iu1 n GLY 392 N -0.14 0.30 3.72 8.20 0.00 -0.64 -4.99 105.19 111.65 3iu1 n GLY 392 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 3iu1 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iu1 s GLU 393 N -0.88 4.34 -0.27 1.61 2.02 -1.26 -4.76 118.70 119.49 3iu1 s GLU 393 Ca 0.00 0.50 -0.25 0.00 0.02 0.00 0.00 54.97 55.24 3iu1 s GLU 393 Cb 0.00 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.78 3iu1 s GLU 393 CO 0.00 0.12 0.85 0.08 0.02 0.00 0.00 175.26 176.32 3iu1 s VAL 394 N 0.75 4.78 -0.10 2.63 1.01 -1.26 -0.63 120.40 127.58 3iu1 s VAL 394 Ca 0.27 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3iu1 s VAL 394 Cb -0.15 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3iu1 s VAL 394 CO 0.11 -0.19 0.14 0.35 0.00 0.00 0.00 175.10 175.52 3iu1 n THR 395 N 5.43 0.00 -3.63 3.92 -2.24 -0.45 -5.00 114.28 112.31 3iu1 n THR 395 Ca 0.06 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3iu1 n THR 395 Cb 0.48 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 3iu1 n THR 395 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iu1 s ASP 396 N -2.04 -0.26 0.06 3.42 1.01 -1.25 -2.76 116.67 114.83 3iu1 s ASP 396 Ca -0.00 -0.23 -0.16 0.00 0.71 0.00 0.00 52.55 52.87 3iu1 s ASP 396 Cb 0.03 0.47 0.03 0.00 1.01 0.00 0.00 42.92 44.46 3iu1 s ASP 396 CO 0.19 -0.82 0.36 0.72 0.21 0.00 0.00 175.17 175.83 3iu1 s PHE 397 N -3.53 -0.18 0.10 4.23 -0.12 -0.15 -0.79 117.98 117.54 3iu1 s PHE 397 Ca 0.01 0.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.03 3iu1 s PHE 397 Cb 0.01 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 3iu1 s PHE 397 CO -0.10 -0.56 -0.19 -0.48 -0.05 0.00 0.00 175.22 173.84 3iu1 s LEU 398 N -2.16 2.31 -0.00 -1.99 0.05 0.06 -0.73 118.68 116.22 3iu1 s LEU 398 Ca -0.04 -0.69 -0.15 0.00 0.05 0.00 0.00 54.13 53.30 3iu1 s LEU 398 Cb -0.00 -0.78 0.02 0.00 -2.05 0.00 0.00 46.19 43.38 3iu1 s LEU 398 CO -0.04 0.01 0.33 -0.94 -0.55 0.00 0.00 176.35 175.16 3iu1 s SER 399 N -1.96 -0.20 -0.11 1.48 1.04 -1.07 -0.99 113.70 111.89 3iu1 s SER 399 Ca 0.05 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.35 3iu1 s SER 399 Cb -0.09 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.40 3iu1 s SER 399 CO 0.04 -0.50 0.46 0.72 0.98 0.00 0.00 173.24 174.94 3iu1 s PHE 400 N -1.62 -0.45 0.26 5.02 -0.12 -0.52 -1.15 117.98 119.40 3iu1 s PHE 400 Ca -0.11 0.98 0.06 0.00 -0.05 0.00 0.00 56.93 57.81 3iu1 s PHE 400 Cb -0.04 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 3iu1 s PHE 400 CO 0.03 -0.34 0.26 1.52 -0.05 0.00 0.00 175.22 176.64 3iu1 s TYR 401 N -0.40 3.20 -0.27 3.49 -0.85 0.16 -1.36 117.35 121.33 3iu1 s TYR 401 Ca -0.05 -0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 56.30 3iu1 s TYR 401 Cb -0.03 -1.51 -0.04 0.00 0.38 0.00 0.00 41.96 40.76 3iu1 s TYR 401 CO 0.03 0.45 0.15 0.99 -1.52 0.00 0.00 175.55 175.65 3iu1 s THR 402 N -2.10 4.96 -0.32 -3.49 2.01 -0.06 -0.65 115.64 115.98 3iu1 s THR 402 Ca 0.34 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 3iu1 s THR 402 Cb -0.08 -3.35 0.13 0.00 0.01 0.00 0.00 72.50 69.21 3iu1 s THR 402 CO 0.27 0.28 0.26 -0.22 -0.69 0.00 0.00 174.62 174.51 3iu1 s LEU 403 N 1.70 0.28 0.77 4.42 2.96 -0.57 -4.75 118.68 123.50 3iu1 s LEU 403 Ca 0.07 -1.44 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 3iu1 s LEU 403 Cb -0.16 0.10 0.05 0.00 0.50 0.00 0.00 46.19 46.68 3iu1 s LEU 403 CO 0.08 -0.35 1.08 -2.84 -1.32 0.00 0.00 176.35 173.01 3iu1 s PRO 404 N 1.76 2.34 -0.03 0.98 0.02 -1.26 -3.73 135.00 135.07 3iu1 s PRO 404 Ca 0.13 0.82 0.05 0.00 0.02 0.00 0.00 61.00 62.02 3iu1 s PRO 404 Cb -0.17 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3iu1 s PRO 404 CO -0.18 -1.49 -0.19 -1.12 -0.33 0.00 0.00 177.00 173.69 3iu1 s SER 405 N -3.77 2.27 0.23 2.53 0.01 -0.04 -0.44 113.70 114.49 3iu1 s SER 405 Ca 0.60 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 3iu1 s SER 405 Cb -0.15 -0.45 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 3iu1 s SER 405 CO 0.55 0.20 1.34 -0.89 0.41 0.00 0.00 173.24 174.85 3iu1 s THR 406 N -0.22 3.00 -0.60 1.44 2.01 0.65 -0.86 115.64 121.08 3iu1 s THR 406 Ca 0.02 0.85 -0.28 0.00 0.31 0.00 0.00 61.69 62.59 3iu1 s THR 406 Cb -0.10 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.90 3iu1 s THR 406 CO 0.01 0.14 1.23 -0.63 -0.69 0.00 0.00 174.62 174.68 3iu1 s ILE 407 N -0.09 3.96 0.38 1.82 -1.09 -1.26 -2.37 121.20 122.54 3iu1 s ILE 407 Ca 0.56 0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 59.54 3iu1 s ILE 407 Cb -0.38 -4.72 -0.09 0.00 -1.58 0.00 0.00 42.46 35.69 3iu1 s ILE 407 CO 0.41 -1.39 1.20 -0.04 -1.23 0.00 0.00 174.94 173.90 3iu1 s MET 408 N 5.11 4.15 0.00 2.79 -1.94 0.08 -2.22 119.30 127.27 3iu1 s MET 408 Ca 0.43 1.94 0.00 0.00 -1.71 0.00 0.00 55.69 56.35 3iu1 s MET 408 Cb -0.08 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.96 3iu1 s MET 408 CO 0.24 -0.27 0.00 -1.71 -0.01 0.00 0.00 175.02 173.27 3iu1 n ASN 409 N 0.31 0.00 -3.24 3.03 4.05 -1.26 -4.81 115.26 113.35 3iu1 n ASN 409 Ca 0.03 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.81 3iu1 n ASN 409 Cb 0.45 -0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.38 3iu1 n ASN 409 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 3iu1 n HIS 410 N -1.95 1.82 0.20 1.20 8.25 -0.94 -4.97 115.22 118.83 3iu1 n HIS 410 Ca 0.00 -3.88 0.05 0.00 -0.26 0.00 0.00 57.72 53.63 3iu1 n HIS 410 Cb 0.00 -0.46 0.42 0.00 1.12 0.00 0.00 29.99 31.07 3iu1 n HIS 410 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3iu1 h PRO 411 N 3.77 0.00 0.00 -0.41 0.11 -1.83 -2.63 132.00 131.01 3iu1 h PRO 411 Ca 0.13 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3iu1 h PRO 411 Cb 0.76 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3iu1 h PRO 411 CO 0.66 0.33 -0.18 0.00 -0.21 0.00 0.00 178.00 178.59 3iu1 h THR 412 N 0.00 0.38 -4.19 -1.15 1.03 -1.93 -3.46 112.91 103.58 3iu1 h THR 412 Ca -0.00 -1.19 -0.52 0.00 -0.01 0.00 0.00 66.41 64.69 3iu1 h THR 412 Cb 0.67 1.90 0.12 0.00 -1.07 0.00 0.00 68.15 69.77 3iu1 h THR 412 CO 0.04 0.18 0.38 -1.00 -0.01 0.00 0.00 175.52 175.11 3iu1 s HIS 413 N -3.42 2.38 0.34 0.00 3.76 -0.99 -4.96 115.29 112.40 3iu1 s HIS 413 Ca 0.03 1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 56.23 3iu1 s HIS 413 Cb 0.08 -3.29 -0.12 0.00 1.11 0.00 0.00 32.58 30.37 3iu1 s HIS 413 CO 0.65 -2.06 1.45 1.63 -0.85 0.00 0.00 174.74 175.56 3iu1 n LYS 414 N -2.58 2.49 -1.49 1.40 5.02 -1.26 -4.79 118.16 116.95 3iu1 n LYS 414 Ca 0.12 0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 56.94 3iu1 n LYS 414 Cb 0.51 -2.57 0.09 0.00 -0.02 0.00 0.00 35.03 33.04 3iu1 n LYS 414 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3iu1 s SER 415 N -0.04 4.31 -0.15 4.39 0.01 -1.26 -4.76 113.70 116.20 3iu1 s SER 415 Ca 0.57 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.87 3iu1 s SER 415 Cb -0.52 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.10 3iu1 s SER 415 CO 0.60 -2.19 1.39 -0.22 0.41 0.00 0.00 173.24 173.23 3iu1 s LEU 416 N -5.07 4.18 -0.40 2.44 0.20 -0.04 -4.88 118.68 115.12 3iu1 s LEU 416 Ca 0.74 1.79 -0.21 0.00 0.69 0.00 0.00 54.13 57.15 3iu1 s LEU 416 Cb -0.29 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 41.95 3iu1 s LEU 416 CO 0.44 -0.86 0.66 -0.75 -0.29 0.00 0.00 176.35 175.55 3iu1 s LYS 417 N 3.76 3.49 -0.06 1.98 2.20 -1.26 -0.86 119.74 128.98 3iu1 s LYS 417 Ca 0.61 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 56.13 3iu1 s LYS 417 Cb -0.25 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 3iu1 s LYS 417 CO 0.20 -0.89 -0.20 0.00 -0.36 0.00 0.00 175.35 174.09 3iu1 s ALA 418 N 2.82 2.36 -0.08 3.13 0.00 -1.24 -0.03 121.76 128.73 3iu1 s ALA 418 Ca 0.24 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3iu1 s ALA 418 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3iu1 s ALA 418 CO 0.17 0.44 0.13 0.00 0.00 0.00 0.00 175.76 176.50 3iu1 s ALA 419 N -0.27 3.79 -0.15 0.00 0.00 -0.58 -1.51 121.76 123.04 3iu1 s ALA 419 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3iu1 s ALA 419 Cb -0.13 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.16 3iu1 s ALA 419 CO 0.03 0.66 -0.21 0.71 0.00 0.00 0.00 175.76 176.95 3iu1 s TYR 420 N -1.10 2.65 0.25 0.00 2.02 0.18 0.20 117.35 121.55 3iu1 s TYR 420 Ca 0.19 -1.43 -0.31 0.00 -0.37 0.00 0.00 57.07 55.15 3iu1 s TYR 420 Cb -0.12 -1.82 -0.13 0.00 -0.40 0.00 0.00 41.96 39.49 3iu1 s TYR 420 CO 0.08 -0.68 1.45 0.45 -1.57 0.00 0.00 175.55 175.28 3iu1 n SER 421 N 4.30 2.99 0.00 2.29 2.88 0.38 -0.66 113.62 125.80 3iu1 n SER 421 Ca -0.20 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3iu1 n SER 421 Cb 0.51 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3iu1 n SER 421 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3iu1 n PHE 422 N 1.92 0.00 -5.17 0.66 7.35 -0.30 -4.82 117.46 117.10 3iu1 n PHE 422 Ca 0.11 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.48 3iu1 n PHE 422 Cb 0.33 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.99 3iu1 n PHE 422 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3iu1 s TYR 423 N 1.10 2.56 -0.16 -5.13 2.02 -1.26 -4.86 117.35 111.63 3iu1 s TYR 423 Ca 0.00 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3iu1 s TYR 423 Cb 0.00 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3iu1 s TYR 423 CO 0.00 -0.32 -0.10 -0.80 -1.57 0.00 0.00 175.55 172.76 3iu1 s ASN 424 N 0.17 2.77 -0.15 2.29 0.01 -1.26 -2.59 114.94 116.18 3iu1 s ASN 424 Ca -0.13 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.45 3iu1 s ASN 424 Cb -0.16 -1.06 -0.00 0.00 0.41 0.00 0.00 41.25 40.44 3iu1 s ASN 424 CO 0.07 -0.12 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.68 3iu1 s VAL 425 N 1.55 2.55 -0.06 1.60 1.01 0.09 -5.00 120.40 122.14 3iu1 s VAL 425 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3iu1 s VAL 425 Cb -0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3iu1 s VAL 425 CO -0.09 0.52 -0.20 -1.38 0.00 0.00 0.00 175.10 173.95 3iu1 s HIS 426 N 0.77 2.02 0.00 5.22 -3.43 -1.26 -0.98 115.29 117.64 3iu1 s HIS 426 Ca -0.06 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 3iu1 s HIS 426 Cb -0.15 -1.36 0.00 0.00 -1.43 0.00 0.00 32.58 29.64 3iu1 s HIS 426 CO 0.00 -0.23 0.00 0.25 -2.00 0.00 0.00 174.74 172.76 3iu1 n THR 427 N 3.23 0.00 0.00 -5.38 -2.24 -1.11 -4.93 114.28 103.84 3iu1 n THR 427 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3iu1 n THR 427 Cb 0.53 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3iu1 n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu1 n GLN 428 N -1.17 3.95 -3.76 -0.78 1.13 -1.26 -5.04 117.38 110.45 3iu1 n GLN 428 Ca 0.00 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 3iu1 n GLN 428 Cb 0.14 -0.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.92 3iu1 n GLN 428 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iu1 s THR 429 N -0.40 5.43 0.37 5.09 2.01 -1.26 -5.07 115.64 121.81 3iu1 s THR 429 Ca 0.00 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 3iu1 s THR 429 Cb 0.00 -3.46 -0.11 0.00 0.01 0.00 0.00 72.50 68.94 3iu1 s THR 429 CO 0.00 0.48 1.38 -2.65 -0.69 0.00 0.00 174.62 173.14 3iu1 n PRO 430 N 3.18 2.34 -0.35 4.92 -0.02 -1.26 -4.78 135.00 139.04 3iu1 n PRO 430 Ca -0.17 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 3iu1 n PRO 430 Cb 0.53 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.71 3iu1 n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iu1 h LEU 431 N 2.65 1.00 -0.60 2.45 5.85 -1.97 -1.48 115.31 123.20 3iu1 h LEU 431 Ca -0.48 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.34 3iu1 h LEU 431 Cb 1.27 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3iu1 h LEU 431 CO 0.63 0.63 0.23 0.25 -0.34 0.00 0.00 178.44 179.84 3iu1 h LEU 432 N 1.13 0.23 -0.41 2.25 5.85 -1.91 0.15 115.31 122.60 3iu1 h LEU 432 Ca 0.42 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.09 3iu1 h LEU 432 Cb 0.18 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3iu1 h LEU 432 CO -0.17 0.14 -0.22 0.44 -0.34 0.00 0.00 178.44 178.29 3iu1 h ASP 433 N 0.41 0.91 -0.48 1.25 3.32 -1.68 -1.23 116.42 118.92 3iu1 h ASP 433 Ca 0.30 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3iu1 h ASP 433 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3iu1 h ASP 433 CO -0.30 1.12 0.30 0.25 -1.72 0.00 0.00 179.24 178.90 3iu1 h LEU 434 N 0.69 0.51 -0.73 1.55 5.85 -0.83 -1.90 115.31 120.45 3iu1 h LEU 434 Ca 0.09 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 3iu1 h LEU 434 Cb 0.79 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3iu1 h LEU 434 CO 0.07 0.37 -0.56 0.24 -0.34 0.00 0.00 178.44 178.21 3iu1 h MET 435 N 0.61 0.21 -0.56 1.25 2.86 -0.90 -0.99 114.93 117.41 3iu1 h MET 435 Ca 0.18 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3iu1 h MET 435 Cb -0.04 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3iu1 h MET 435 CO -0.06 0.72 0.34 0.77 1.06 0.00 0.00 176.91 179.74 3iu1 h SER 436 N 0.16 0.56 -0.07 1.22 0.02 -0.98 -1.60 113.55 112.85 3iu1 h SER 436 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3iu1 h SER 436 Cb 1.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3iu1 h SER 436 CO 0.09 0.39 -0.30 0.44 -1.14 0.00 0.00 176.83 176.30 3iu1 h ASP 437 N 0.68 0.55 -0.71 3.07 3.32 -1.05 -1.84 116.42 120.44 3iu1 h ASP 437 Ca 0.23 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3iu1 h ASP 437 Cb 0.02 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 3iu1 h ASP 437 CO -0.10 0.83 0.43 0.00 -1.72 0.00 0.00 179.24 178.68 3iu1 h ALA 438 N 1.21 0.93 -0.47 3.45 0.00 -0.76 0.11 119.26 123.73 3iu1 h ALA 438 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3iu1 h ALA 438 Cb 0.76 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3iu1 h ALA 438 CO 0.06 0.19 0.16 -0.07 0.00 0.00 0.00 179.25 179.59 3iu1 h LEU 439 N 0.84 0.67 -0.34 0.00 3.38 -1.03 -0.80 115.31 118.03 3iu1 h LEU 439 Ca 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3iu1 h LEU 439 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3iu1 h LEU 439 CO -0.12 0.69 0.22 0.58 0.09 0.00 0.00 178.44 179.89 3iu1 h VAL 440 N 0.62 1.10 -0.70 1.22 2.07 -0.89 -0.90 116.25 118.78 3iu1 h VAL 440 Ca 0.15 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3iu1 h VAL 440 Cb 0.24 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3iu1 h VAL 440 CO -0.01 0.09 0.34 -0.07 0.02 0.00 0.00 177.57 177.95 3iu1 h LEU 441 N 0.45 0.91 -0.48 2.57 3.38 -0.65 -0.20 115.31 121.28 3iu1 h LEU 441 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iu1 h LEU 441 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3iu1 h LEU 441 CO -0.03 0.78 0.18 0.00 0.09 0.00 0.00 178.44 179.47 3iu1 h ALA 442 N 1.16 0.63 -0.49 1.53 0.00 -0.96 -1.09 119.26 120.05 3iu1 h ALA 442 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iu1 h ALA 442 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iu1 h ALA 442 CO -0.03 0.25 0.31 -0.22 0.00 0.00 0.00 179.25 179.55 3iu1 h LYS 443 N 0.64 0.66 -0.90 0.00 1.63 -0.91 -1.61 116.57 116.08 3iu1 h LYS 443 Ca 0.16 -0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.01 3iu1 h LYS 443 Cb 0.21 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 3iu1 h LYS 443 CO -0.01 0.47 0.58 0.52 -3.45 0.00 0.00 179.45 177.56 3iu1 h MET 444 N 0.66 0.87 -0.07 1.90 2.86 -0.74 -1.44 114.93 118.97 3iu1 h MET 444 Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3iu1 h MET 444 Cb -0.03 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.43 3iu1 h MET 444 CO -0.04 0.57 0.00 1.63 1.06 0.00 0.00 176.91 180.14 3iu1 n LYS 445 N -4.54 1.33 -0.75 1.72 5.02 -0.44 -4.91 118.16 115.60 3iu1 n LYS 445 Ca 0.16 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3iu1 n LYS 445 Cb 0.31 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3iu1 n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu1 n GLY 446 N 0.94 0.55 3.78 0.72 0.00 -0.54 -5.05 105.19 105.59 3iu1 n GLY 446 Ca 0.15 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3iu1 n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu1 s PHE 447 N -2.00 2.92 -0.11 1.61 0.08 -0.66 -4.86 117.98 114.96 3iu1 s PHE 447 Ca 0.00 1.57 0.16 0.00 0.12 0.00 0.00 56.93 58.78 3iu1 s PHE 447 Cb 0.00 -3.18 -0.23 0.00 -0.57 0.00 0.00 43.02 39.04 3iu1 s PHE 447 CO 0.00 -1.11 0.47 -0.25 -0.10 0.00 0.00 175.22 174.23 3iu1 n ASP 448 N -0.87 0.53 -3.77 1.36 10.43 0.96 -4.42 116.55 120.78 3iu1 n ASP 448 Ca 0.09 0.25 -0.13 0.00 2.57 0.00 0.00 54.79 57.57 3iu1 n ASP 448 Cb 0.51 0.44 -0.10 0.00 1.84 0.00 0.00 41.12 43.81 3iu1 n ASP 448 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iu1 s VAL 449 N -2.66 0.04 -0.18 2.53 0.11 -1.13 -0.84 120.40 118.27 3iu1 s VAL 449 Ca -0.06 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 3iu1 s VAL 449 Cb 0.08 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3iu1 s VAL 449 CO 0.83 -0.16 -0.13 0.12 -3.33 0.00 0.00 175.10 172.43 3iu1 s PHE 450 N -0.71 2.84 -0.08 1.54 5.36 -0.21 -1.53 117.98 125.19 3iu1 s PHE 450 Ca -0.08 -1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 54.74 3iu1 s PHE 450 Cb -0.04 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.65 3iu1 s PHE 450 CO 0.02 -0.56 -0.01 -0.80 -1.46 0.00 0.00 175.22 172.42 3iu1 s ASN 451 N 1.11 5.17 -0.04 6.13 0.01 0.13 -0.14 114.94 127.30 3iu1 s ASN 451 Ca 0.00 0.11 -0.12 0.00 -0.71 0.00 0.00 52.86 52.15 3iu1 s ASN 451 Cb -0.14 -1.43 0.02 0.00 0.41 0.00 0.00 41.25 40.11 3iu1 s ASN 451 CO -0.04 0.37 0.27 0.00 -1.51 0.00 0.00 177.10 176.19 3iu1 s ALA 452 N -0.90 -0.68 0.69 0.60 0.00 -0.63 -0.47 121.76 120.36 3iu1 s ALA 452 Ca 0.14 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 3iu1 s ALA 452 Cb -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.96 3iu1 s ALA 452 CO 0.03 -0.21 1.01 -0.51 0.00 0.00 0.00 175.76 176.07 3iu1 s LEU 453 N -0.86 2.88 -0.10 0.00 1.43 -1.26 -0.42 118.68 120.35 3iu1 s LEU 453 Ca -0.09 0.56 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 3iu1 s LEU 453 Cb -0.05 -3.25 0.42 0.00 0.03 0.00 0.00 46.19 43.35 3iu1 s LEU 453 CO 0.03 -1.50 1.20 -0.90 0.23 0.00 0.00 176.35 175.41 3iu1 n ASP 454 N -2.88 3.19 -3.88 2.29 5.75 -0.82 -4.76 116.55 115.44 3iu1 n ASP 454 Ca 0.07 -2.37 -0.27 0.00 -0.01 0.00 0.00 54.79 52.21 3iu1 n ASP 454 Cb 0.60 -0.52 0.18 0.00 -1.03 0.00 0.00 41.12 40.35 3iu1 n ASP 454 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iu1 n LEU 455 N 0.42 0.00 0.00 -2.12 -0.00 -1.26 -4.27 117.00 109.77 3iu1 n LEU 455 Ca 0.15 -1.47 0.00 0.00 -0.00 0.00 0.00 56.01 54.69 3iu1 n LEU 455 Cb 0.65 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3iu1 n LEU 455 CO 0.15 -1.33 0.00 0.23 -0.00 0.00 0.00 177.39 176.45 3iu1 n MET 456 N -3.51 0.00 -0.86 1.47 2.81 -0.67 -1.10 117.12 115.27 3iu1 n MET 456 Ca 0.16 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.11 3iu1 n MET 456 Cb 0.55 0.00 0.39 0.00 -0.71 0.00 0.00 33.22 33.44 3iu1 n MET 456 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iu1 n GLU 457 N 14.00 4.74 -0.03 0.03 1.02 -1.26 -4.39 120.64 134.74 3iu1 n GLU 457 Ca 0.00 -3.02 0.04 0.00 -0.02 0.00 0.00 57.16 54.16 3iu1 n GLU 457 Cb 0.00 -2.24 0.40 0.00 -0.02 0.00 0.00 31.44 29.58 3iu1 n GLU 457 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3iu1 h ASN 458 N 3.83 0.52 -0.01 1.62 -0.26 -1.36 -1.29 115.58 118.64 3iu1 h ASN 458 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3iu1 h ASN 458 Cb 1.92 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 39.05 3iu1 h ASN 458 CO 0.47 0.38 0.02 0.11 -1.06 0.00 0.00 177.43 177.35 3iu1 h LYS 459 N 0.62 0.00 0.00 0.81 1.57 -1.78 -0.83 116.57 116.96 3iu1 h LYS 459 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3iu1 h LYS 459 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3iu1 h LYS 459 CO -0.04 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.63 3iu1 h THR 460 N 0.00 0.00 0.00 -0.16 1.35 -1.61 -3.33 112.91 109.17 3iu1 h THR 460 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3iu1 h THR 460 Cb 0.05 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3iu1 h THR 460 CO -0.00 0.00 -0.51 2.22 -0.25 0.00 0.00 175.52 176.98 3iu1 n PHE 461 N -2.55 0.00 0.26 4.73 1.16 -0.39 -4.80 117.46 115.87 3iu1 n PHE 461 Ca 0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.42 3iu1 n PHE 461 Cb 0.23 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.01 3iu1 n PHE 461 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3iu1 h LEU 462 N 0.00 -1.22 -0.60 5.98 3.38 -1.46 -0.55 115.31 120.83 3iu1 h LEU 462 Ca 0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3iu1 h LEU 462 Cb 0.00 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3iu1 h LEU 462 CO 0.00 -0.60 -0.00 -0.33 0.09 0.00 0.00 178.44 177.60 3iu1 h GLU 463 N -0.90 1.06 -0.32 1.13 5.08 -1.80 -0.86 114.58 117.97 3iu1 h GLU 463 Ca -0.04 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3iu1 h GLU 463 Cb 0.79 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3iu1 h GLU 463 CO -0.07 1.04 0.20 0.87 -1.00 0.00 0.00 179.01 180.05 3iu1 h LYS 464 N 0.96 0.43 -0.63 2.33 1.57 -1.81 -2.01 116.57 117.40 3iu1 h LYS 464 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3iu1 h LYS 464 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3iu1 h LYS 464 CO 0.03 0.30 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 3iu1 n LEU 465 N -4.47 5.09 -0.92 2.94 4.77 -0.24 -4.94 117.00 119.22 3iu1 n LEU 465 Ca 0.02 -2.58 -0.10 0.00 -0.03 0.00 0.00 56.01 53.32 3iu1 n LEU 465 Cb 0.08 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3iu1 n LEU 465 CO 0.35 0.68 -0.11 0.29 -1.33 0.00 0.00 177.39 177.27 3iu1 n LYS 466 N 0.80 -0.74 -2.18 3.23 5.02 -0.76 -5.00 118.16 118.53 3iu1 n LYS 466 Ca 0.26 0.71 -0.37 0.00 -2.02 0.00 0.00 58.31 56.88 3iu1 n LYS 466 Cb 1.02 -4.69 -0.00 0.00 -0.02 0.00 0.00 35.03 31.34 3iu1 n LYS 466 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3iu1 s PHE 467 N -2.43 2.78 0.05 2.13 0.08 -0.34 -4.66 117.98 115.60 3iu1 s PHE 467 Ca 0.00 1.51 0.08 0.00 0.12 0.00 0.00 56.93 58.64 3iu1 s PHE 467 Cb 0.00 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.97 3iu1 s PHE 467 CO 0.00 -1.73 -0.22 0.20 -0.10 0.00 0.00 175.22 173.36 3iu1 s GLY 468 N -1.30 1.51 0.33 4.36 0.00 0.53 -4.52 107.32 108.23 3iu1 s GLY 468 Ca 0.65 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 3iu1 s GLY 468 CO 0.37 -1.15 1.26 -1.50 0.00 0.00 0.00 173.10 172.07 3iu1 s ILE 469 N -0.90 2.89 0.63 0.90 2.07 -1.26 -0.66 121.20 124.87 3iu1 s ILE 469 Ca 0.13 0.89 0.02 0.00 -1.41 0.00 0.00 60.65 60.29 3iu1 s ILE 469 Cb -0.10 -3.56 0.09 0.00 0.13 0.00 0.00 42.46 39.02 3iu1 s ILE 469 CO 0.04 0.20 0.87 -0.83 -1.91 0.00 0.00 174.94 173.31 3iu1 s GLY 470 N -0.61 1.78 0.37 1.50 0.00 0.35 -4.85 107.32 105.86 3iu1 s GLY 470 Ca 0.49 -1.71 -0.18 0.00 0.00 0.00 0.00 44.72 43.31 3iu1 s GLY 470 CO 0.50 -1.26 0.84 0.99 0.00 0.00 0.00 173.10 174.16 3iu1 s ASP 471 N -4.62 6.88 0.00 1.64 1.01 -1.26 -4.79 116.67 115.52 3iu1 s ASP 471 Ca 0.62 1.49 0.00 0.00 0.71 0.00 0.00 52.55 55.37 3iu1 s ASP 471 Cb -0.07 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3iu1 s ASP 471 CO 0.41 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 176.14 3iu1 n GLY 472 N -0.42 -0.97 3.29 0.21 0.00 -1.26 -4.84 105.19 101.21 3iu1 n GLY 472 Ca 0.05 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 3iu1 n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iu1 s ASN 473 N -2.15 2.28 -0.30 1.61 0.01 -1.26 -4.50 114.94 110.63 3iu1 s ASN 473 Ca 0.00 -0.92 -0.01 0.00 -0.71 0.00 0.00 52.86 51.22 3iu1 s ASN 473 Cb 0.00 -0.10 0.05 0.00 0.41 0.00 0.00 41.25 41.62 3iu1 s ASN 473 CO 0.00 -0.16 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.21 3iu1 s LEU 474 N -2.87 3.90 0.00 0.60 2.96 0.59 -4.27 118.68 119.59 3iu1 s LEU 474 Ca 0.16 -1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 52.56 3iu1 s LEU 474 Cb -0.03 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 3iu1 s LEU 474 CO 0.04 -0.26 0.54 -1.10 -1.32 0.00 0.00 176.35 174.26 3iu1 s GLN 475 N 1.23 4.23 -0.13 1.98 -1.52 0.33 -0.46 119.66 125.33 3iu1 s GLN 475 Ca -0.05 0.65 -0.06 0.00 -1.95 0.00 0.00 55.36 53.94 3iu1 s GLN 475 Cb -0.20 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 3iu1 s GLN 475 CO -0.02 0.46 0.10 0.71 -0.25 0.00 0.00 175.29 176.29 3iu1 s TYR 476 N -0.45 3.43 0.06 0.91 2.02 0.46 -1.48 117.35 122.30 3iu1 s TYR 476 Ca 0.29 0.36 0.04 0.00 -0.37 0.00 0.00 57.07 57.38 3iu1 s TYR 476 Cb -0.18 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 3iu1 s TYR 476 CO 0.16 0.53 -0.11 0.71 -1.57 0.00 0.00 175.55 175.27 3iu1 s TYR 477 N -0.58 0.93 0.02 2.71 2.02 0.39 -0.17 117.35 122.67 3iu1 s TYR 477 Ca 0.12 -0.51 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 3iu1 s TYR 477 Cb -0.12 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 3iu1 s TYR 477 CO 0.02 -0.02 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.27 3iu1 s LEU 478 N -1.76 2.49 -0.23 -1.29 1.43 -1.26 -1.80 118.68 116.27 3iu1 s LEU 478 Ca -0.05 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 3iu1 s LEU 478 Cb -0.09 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3iu1 s LEU 478 CO 0.01 0.28 0.14 -0.47 0.23 0.00 0.00 176.35 176.54 3iu1 s TYR 479 N -0.83 3.31 -1.48 0.29 5.04 0.28 -4.48 117.35 119.47 3iu1 s TYR 479 Ca 0.13 0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 54.92 3iu1 s TYR 479 Cb -0.10 -2.23 0.01 0.00 0.35 0.00 0.00 41.96 39.98 3iu1 s TYR 479 CO 0.03 0.09 0.60 -1.71 -1.34 0.00 0.00 175.55 173.23 3iu1 n ASN 480 N 4.12 -5.95 -3.41 4.32 5.15 -0.24 -2.81 115.26 116.44 3iu1 n ASN 480 Ca -0.15 -0.28 -0.18 0.00 -0.60 0.00 0.00 54.58 53.36 3iu1 n ASN 480 Cb 0.52 -4.76 -0.10 0.00 -0.53 0.00 0.00 39.78 34.91 3iu1 n ASN 480 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3iu1 s TRP 481 N -3.16 -0.36 -0.17 1.20 -0.11 -1.26 -3.69 118.94 111.40 3iu1 s TRP 481 Ca 0.30 -0.33 -0.23 0.00 1.22 0.00 0.00 56.10 57.06 3iu1 s TRP 481 Cb -0.13 -0.50 -0.02 0.00 -1.50 0.00 0.00 33.47 31.31 3iu1 s TRP 481 CO 0.37 -0.92 0.71 0.21 -4.62 0.00 0.00 176.95 172.70 3iu1 s LYS 482 N 2.21 4.28 0.19 5.86 2.20 -0.10 -4.77 119.74 129.62 3iu1 s LYS 482 Ca 0.10 0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 56.35 3iu1 s LYS 482 Cb -0.14 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3iu1 s LYS 482 CO -0.29 -0.22 0.47 0.00 -0.36 0.00 0.00 175.35 174.95 3iu1 s PRO 484 N -3.90 3.27 0.80 0.00 0.02 -1.25 -4.85 135.00 129.08 3iu1 s PRO 484 Ca 0.12 1.90 -0.11 0.00 0.02 0.00 0.00 61.00 62.93 3iu1 s PRO 484 Cb -0.00 -2.16 0.07 0.00 0.02 0.00 0.00 34.50 32.44 3iu1 s PRO 484 CO -0.01 -0.99 1.09 -1.54 -0.33 0.00 0.00 177.00 175.22 3iu1 s SER 485 N -1.37 4.27 0.10 2.53 1.04 -1.26 -4.97 113.70 114.03 3iu1 s SER 485 Ca 0.72 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.89 3iu1 s SER 485 Cb -0.32 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 3iu1 s SER 485 CO 0.37 -2.17 -0.08 0.00 0.98 0.00 0.00 173.24 172.34 3iu1 s MET 486 N -4.92 0.83 0.73 4.02 0.23 0.64 -5.01 119.30 115.80 3iu1 s MET 486 Ca 0.62 -1.26 -0.13 0.00 -1.03 0.00 0.00 55.69 53.89 3iu1 s MET 486 Cb -0.17 -0.31 0.03 0.00 -1.53 0.00 0.00 34.83 32.86 3iu1 s MET 486 CO 0.56 0.01 1.10 0.20 -2.03 0.00 0.00 175.02 174.87 3iu1 s GLY 487 N -2.81 1.90 0.41 3.16 0.00 -1.26 -4.39 107.32 104.33 3iu1 s GLY 487 Ca 0.09 0.41 0.15 0.00 0.00 0.00 0.00 44.72 45.37 3iu1 s GLY 487 CO -0.03 0.76 1.89 0.00 0.00 0.00 0.00 173.10 175.73 3iu1 h ALA 488 N -0.62 2.07 0.00 3.20 0.00 -1.89 -0.27 119.26 121.76 3iu1 h ALA 488 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iu1 h ALA 488 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3iu1 h ALA 488 CO 0.52 -0.30 0.00 -0.85 0.00 0.00 0.00 179.25 178.62 3iu1 n GLU 489 N -4.50 0.15 0.00 0.00 0.00 -1.26 -1.84 120.64 113.19 3iu1 n GLU 489 Ca 0.16 0.44 0.10 0.00 0.00 0.00 0.00 57.16 57.86 3iu1 n GLU 489 Cb 0.55 -1.82 -0.09 0.00 0.00 0.00 0.00 31.44 30.09 3iu1 n GLU 489 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3iu1 n LYS 490 N -2.10 0.30 -2.66 3.44 4.76 -0.12 -3.91 118.16 117.87 3iu1 n LYS 490 Ca 0.02 -0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 54.78 3iu1 n LYS 490 Cb 0.18 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.85 3iu1 n LYS 490 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3iu1 s VAL 491 N -2.87 4.71 -0.28 -0.18 1.01 -0.77 -0.51 120.40 121.51 3iu1 s VAL 491 Ca 0.11 1.99 0.13 0.00 0.00 0.00 0.00 61.98 64.21 3iu1 s VAL 491 Cb 0.17 -4.28 0.48 0.00 0.00 0.00 0.00 36.38 32.74 3iu1 s VAL 491 CO 0.79 -0.03 1.15 0.61 0.00 0.00 0.00 175.10 177.63 3iu1 n GLY 492 N 3.16 4.59 2.83 4.51 0.00 0.99 -1.66 105.19 119.61 3iu1 n GLY 492 Ca 0.10 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 3iu1 n GLY 492 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu1 s LEU 493 N -3.67 1.04 -0.12 0.99 2.96 -1.12 -4.16 118.68 114.61 3iu1 s LEU 493 Ca 0.42 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 3iu1 s LEU 493 Cb 0.38 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.72 3iu1 s LEU 493 CO 0.01 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.05 3iu1 s VAL 494 N 1.26 1.73 0.31 1.68 1.01 -1.26 -5.07 120.40 120.06 3iu1 s VAL 494 Ca -0.06 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3iu1 s VAL 494 Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3iu1 s VAL 494 CO -0.02 0.49 0.16 -0.76 0.00 0.00 0.00 175.10 174.97 3iu1 s LEU 495 N 0.89 3.44 0.00 3.92 1.43 -1.26 -5.06 118.68 122.05 3iu1 s LEU 495 Ca -0.07 -0.57 0.31 0.00 -1.03 0.00 0.00 54.13 52.76 3iu1 s LEU 495 Cb -0.15 -1.98 1.66 0.00 0.03 0.00 0.00 46.19 45.75 3iu1 s LEU 495 CO -0.01 -0.20 2.09 0.00 0.23 0.00 0.00 176.35 178.45