#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu2 s SER 116 N 0.00 5.69 -0.32 6.15 0.01 -1.26 -5.16 113.70 118.81 3iu2 s SER 116 Ca 0.00 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.53 3iu2 s SER 116 Cb 0.00 -1.77 0.09 0.00 0.21 0.00 0.00 66.02 64.55 3iu2 s SER 116 CO 0.00 0.35 0.03 -0.31 0.41 0.00 0.00 173.24 173.72 3iu2 s TYR 117 N -0.69 3.41 0.29 2.43 2.02 -1.26 -5.01 117.35 118.53 3iu2 s TYR 117 Ca 0.12 -2.72 0.03 0.00 -0.37 0.00 0.00 57.07 54.12 3iu2 s TYR 117 Cb -0.12 -2.60 0.69 0.00 -0.40 0.00 0.00 41.96 39.53 3iu2 s TYR 117 CO 0.02 -0.92 1.71 0.37 -1.57 0.00 0.00 175.55 175.16 3iu2 h GLN 118 N 7.70 0.42 0.00 -0.62 4.15 -2.02 -0.61 115.11 124.13 3iu2 h GLN 118 Ca -0.08 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.18 3iu2 h GLN 118 Cb 1.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 3iu2 h GLN 118 CO 0.50 0.28 -0.94 0.35 -1.93 0.00 0.00 178.83 177.09 3iu2 h PHE 119 N 0.43 0.00 0.00 3.99 3.57 -2.02 -3.41 116.94 119.51 3iu2 h PHE 119 Ca 0.54 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.01 3iu2 h PHE 119 Cb 0.99 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3iu2 h PHE 119 CO -0.13 0.91 -0.12 -1.49 -2.23 0.00 0.00 178.31 175.24 3iu2 h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.94 -0.65 115.95 116.82 3iu2 h TRP 120 Ca -0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 3iu2 h TRP 120 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 3iu2 h TRP 120 CO -0.02 0.12 0.00 -0.44 -3.56 0.00 0.00 178.44 174.55 3iu2 h ASP 121 N 0.00 0.00 0.19 -3.49 3.32 -1.34 -2.51 116.42 112.59 3iu2 h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iu2 h ASP 121 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3iu2 h ASP 121 CO 0.02 0.00 -0.21 0.35 -1.72 0.00 0.00 179.24 177.68 3iu2 n THR 122 N -2.99 0.00 -4.00 0.35 -2.24 -0.25 -4.96 114.28 100.19 3iu2 n THR 122 Ca -0.02 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 3iu2 n THR 122 Cb 0.15 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 3iu2 n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iu2 s GLN 123 N -2.41 3.12 -1.15 -0.78 -1.52 -0.95 -5.00 119.66 110.97 3iu2 s GLN 123 Ca 0.27 -0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 52.93 3iu2 s GLN 123 Cb 0.20 -2.85 -0.07 0.00 -0.22 0.00 0.00 33.01 30.07 3iu2 s GLN 123 CO 0.49 0.57 2.25 -0.35 -0.25 0.00 0.00 175.29 178.00 3iu2 n PRO 124 N 0.24 2.42 -4.25 2.91 -0.04 -1.26 -4.83 135.00 130.19 3iu2 n PRO 124 Ca -0.07 -2.00 -0.17 0.00 -0.04 0.00 0.00 63.50 61.22 3iu2 n PRO 124 Cb 0.52 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.00 3iu2 n PRO 124 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iu2 s VAL 125 N 3.58 1.32 0.70 0.52 -7.23 -1.26 -1.72 120.40 116.31 3iu2 s VAL 125 Ca 0.52 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 3iu2 s VAL 125 Cb 0.14 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.46 3iu2 s VAL 125 CO -0.01 -0.51 1.11 -2.84 -0.31 0.00 0.00 175.10 172.54 3iu2 s PRO 126 N -3.00 2.56 0.44 4.82 0.02 -1.26 -4.94 135.00 133.63 3iu2 s PRO 126 Ca 0.12 1.33 -0.23 0.00 0.02 0.00 0.00 61.00 62.24 3iu2 s PRO 126 Cb -0.03 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3iu2 s PRO 126 CO 0.03 -1.43 1.06 0.15 -0.33 0.00 0.00 177.00 176.48 3iu2 s LYS 127 N -4.38 3.98 0.34 5.54 1.02 -1.26 -3.77 119.74 121.21 3iu2 s LYS 127 Ca 0.65 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.85 3iu2 s LYS 127 Cb -0.20 -2.37 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 3iu2 s LYS 127 CO 0.47 -0.30 1.50 -0.51 -0.92 0.00 0.00 175.35 175.59 3iu2 s LEU 128 N -2.99 4.34 0.00 3.17 1.43 -1.26 -2.69 118.68 120.68 3iu2 s LEU 128 Ca 0.62 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.70 3iu2 s LEU 128 Cb -0.21 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.35 3iu2 s LEU 128 CO 0.26 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.60 3iu2 n GLY 129 N 1.04 2.75 3.67 -3.19 0.00 -1.26 -5.01 105.19 103.18 3iu2 n GLY 129 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3iu2 n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iu2 s GLU 130 N -0.34 4.30 -0.02 1.61 -1.05 -1.10 -5.01 118.70 117.09 3iu2 s GLU 130 Ca 0.00 1.43 -0.30 0.00 -0.15 0.00 0.00 54.97 55.95 3iu2 s GLU 130 Cb 0.00 -3.63 -0.04 0.00 -0.44 0.00 0.00 34.13 30.02 3iu2 s GLU 130 CO 0.00 -0.56 1.16 0.08 0.95 0.00 0.00 175.26 176.89 3iu2 s VAL 131 N 2.94 4.30 -0.20 1.83 1.01 -1.26 -4.90 120.40 124.12 3iu2 s VAL 131 Ca 0.47 1.63 -0.06 0.00 0.00 0.00 0.00 61.98 64.02 3iu2 s VAL 131 Cb -0.17 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3iu2 s VAL 131 CO 0.11 0.05 0.04 -0.69 0.00 0.00 0.00 175.10 174.60 3iu2 s VAL 132 N 1.74 4.35 -0.07 2.92 1.01 -1.26 -4.97 120.40 124.11 3iu2 s VAL 132 Ca 0.56 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.39 3iu2 s VAL 132 Cb -0.25 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.22 3iu2 s VAL 132 CO 0.24 0.42 1.04 0.59 0.00 0.00 0.00 175.10 177.40 3iu2 n ASN 133 N 4.06 2.12 -4.65 3.32 4.13 -1.26 -4.03 115.26 118.95 3iu2 n ASN 133 Ca -0.17 -2.16 -0.27 0.00 1.68 0.00 0.00 54.58 53.66 3iu2 n ASN 133 Cb 0.52 -0.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.58 3iu2 n ASN 133 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3iu2 s THR 134 N -1.28 2.08 -0.07 3.41 -4.23 -1.26 -4.97 115.64 109.32 3iu2 s THR 134 Ca 0.06 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3iu2 s THR 134 Cb 0.05 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3iu2 s THR 134 CO 0.01 0.00 0.01 -1.00 -0.54 0.00 0.00 174.62 173.10 3iu2 s HIS 135 N -2.68 0.59 -5.00 3.99 3.76 -1.25 -3.50 115.29 111.20 3iu2 s HIS 135 Ca 0.36 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3iu2 s HIS 135 Cb 0.08 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 33.02 3iu2 s HIS 135 CO 0.19 -0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 3iu2 n GLY 136 N 5.12 -2.47 3.77 -2.22 0.00 -0.14 -4.98 105.19 104.27 3iu2 n GLY 136 Ca -0.07 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 3iu2 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iu2 s PRO 137 N -1.93 3.73 0.16 1.61 0.04 -1.26 0.41 135.00 137.77 3iu2 s PRO 137 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 3iu2 s PRO 137 Cb 0.00 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3iu2 s PRO 137 CO 0.00 -0.55 1.41 0.28 0.04 0.00 0.00 177.00 178.18 3iu2 h VAL 138 N 1.77 1.34 -3.87 -0.36 2.07 -1.84 -3.44 116.25 111.92 3iu2 h VAL 138 Ca -0.49 -2.01 -0.25 0.00 0.82 0.00 0.00 66.70 64.76 3iu2 h VAL 138 Cb 1.24 1.99 -0.17 0.00 -1.52 0.00 0.00 31.29 32.83 3iu2 h VAL 138 CO 0.60 0.62 -0.71 -1.83 0.02 0.00 0.00 177.57 176.26 3iu2 s GLU 139 N -3.74 0.72 0.82 1.57 -1.05 -1.26 -5.07 118.70 110.69 3iu2 s GLU 139 Ca -0.07 -1.11 -0.11 0.00 -0.15 0.00 0.00 54.97 53.52 3iu2 s GLU 139 Cb 0.10 -0.26 0.08 0.00 -0.44 0.00 0.00 34.13 33.62 3iu2 s GLU 139 CO 0.86 0.01 1.09 -1.25 0.95 0.00 0.00 175.26 176.92 3iu2 s PRO 140 N -2.94 1.88 0.30 -4.83 0.04 -1.26 -4.97 135.00 123.21 3iu2 s PRO 140 Ca 0.03 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 3iu2 s PRO 140 Cb -0.01 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 3iu2 s PRO 140 CO -0.03 -1.84 1.40 -0.25 0.04 0.00 0.00 177.00 176.32 3iu2 n ASP 141 N -3.63 3.01 -4.72 6.66 8.00 -1.26 -4.97 116.55 119.65 3iu2 n ASP 141 Ca 0.08 1.17 -0.42 0.00 0.71 0.00 0.00 54.79 56.33 3iu2 n ASP 141 Cb 0.54 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 3iu2 n ASP 141 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iu2 s LYS 142 N -1.08 4.59 0.01 -1.24 1.02 -1.26 -4.96 119.74 116.82 3iu2 s LYS 142 Ca 0.62 1.40 0.23 0.00 0.02 0.00 0.00 55.97 58.24 3iu2 s LYS 142 Cb -0.58 -3.44 0.06 0.00 -0.52 0.00 0.00 37.83 33.35 3iu2 s LYS 142 CO 0.55 0.02 1.09 -0.25 -0.92 0.00 0.00 175.35 175.84 3iu2 n ASP 143 N 3.60 0.74 -3.97 2.83 8.00 -1.26 -4.82 116.55 121.68 3iu2 n ASP 143 Ca 0.05 -0.60 -0.20 0.00 0.71 0.00 0.00 54.79 54.75 3iu2 n ASP 143 Cb 0.51 0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 42.18 3iu2 n ASP 143 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3iu2 s ASN 144 N -3.18 1.10 -0.07 -2.24 -0.87 -1.26 -5.16 114.94 103.27 3iu2 s ASN 144 Ca 0.08 -0.17 0.05 0.00 -1.57 0.00 0.00 52.86 51.25 3iu2 s ASN 144 Cb 0.16 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.25 41.02 3iu2 s ASN 144 CO 0.80 0.03 -0.24 -0.63 -2.57 0.00 0.00 177.10 174.49 3iu2 s ILE 145 N 0.40 2.02 -0.16 0.60 -1.09 -1.26 -5.09 121.20 116.61 3iu2 s ILE 145 Ca -0.06 -1.03 -0.38 0.00 -2.23 0.00 0.00 60.65 56.95 3iu2 s ILE 145 Cb -0.10 -1.72 -0.15 0.00 -1.58 0.00 0.00 42.46 38.91 3iu2 s ILE 145 CO 0.01 0.56 1.69 -1.14 -1.23 0.00 0.00 174.94 174.82 3iu2 n ARG 146 N 3.15 1.37 0.17 2.79 0.63 -1.26 -4.89 116.66 118.63 3iu2 n ARG 146 Ca -0.18 0.50 0.07 0.00 -0.92 0.00 0.00 57.85 57.32 3iu2 n ARG 146 Cb 0.52 -2.21 0.08 0.00 0.45 0.00 0.00 32.46 31.31 3iu2 n ARG 146 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3iu2 h GLN 147 N 7.01 0.00 -6.01 -0.14 4.20 -1.99 -3.47 115.11 114.71 3iu2 h GLN 147 Ca -0.47 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.57 3iu2 h GLN 147 Cb 1.31 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.96 3iu2 h GLN 147 CO 0.92 0.23 -0.61 -1.21 -0.67 0.00 0.00 178.83 177.50 3iu2 s GLU 148 N -3.10 2.98 0.68 1.46 8.01 -1.26 -5.09 118.70 122.37 3iu2 s GLU 148 Ca 0.05 -0.47 -0.17 0.00 0.01 0.00 0.00 54.97 54.39 3iu2 s GLU 148 Cb 0.07 -2.80 0.01 0.00 -4.31 0.00 0.00 34.13 27.09 3iu2 s GLU 148 CO 0.72 0.67 1.24 -2.14 0.01 0.00 0.00 175.26 175.76 3iu2 s PRO 149 N -1.33 2.42 0.73 0.39 0.02 -1.26 -4.99 135.00 130.98 3iu2 s PRO 149 Ca 0.18 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 62.96 3iu2 s PRO 149 Cb -0.12 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3iu2 s PRO 149 CO 0.08 -1.66 1.14 0.71 -0.33 0.00 0.00 177.00 176.94 3iu2 s TYR 150 N -1.68 2.31 -0.03 6.54 1.51 -1.26 -4.98 117.35 119.76 3iu2 s TYR 150 Ca 0.78 1.60 -0.28 0.00 -1.01 0.00 0.00 57.07 58.17 3iu2 s TYR 150 Cb -0.33 -3.26 -0.03 0.00 -0.11 0.00 0.00 41.96 38.23 3iu2 s TYR 150 CO 0.41 -2.13 0.88 0.99 -1.11 0.00 0.00 175.55 174.59 3iu2 s THR 151 N -2.36 4.93 0.36 -0.71 2.01 -1.26 -5.04 115.64 113.58 3iu2 s THR 151 Ca 0.68 1.83 0.00 0.00 0.31 0.00 0.00 61.69 64.52 3iu2 s THR 151 Cb -0.23 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3iu2 s THR 151 CO 0.47 0.18 0.57 -0.76 -0.69 0.00 0.00 174.62 174.39 3iu2 s LEU 152 N 0.99 3.97 0.74 4.42 1.43 -1.26 -5.03 118.68 123.94 3iu2 s LEU 152 Ca 0.46 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 3iu2 s LEU 152 Cb -0.20 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3iu2 s LEU 152 CO 0.24 -0.34 0.63 -2.65 0.23 0.00 0.00 176.35 174.45 3iu2 n PRO 153 N -1.83 0.29 -2.03 1.29 -0.02 -1.26 -4.88 135.00 126.57 3iu2 n PRO 153 Ca -0.04 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 3iu2 n PRO 153 Cb 0.56 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3iu2 n PRO 153 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3iu2 s GLN 154 N -2.98 3.92 0.00 -0.52 0.00 -1.26 -2.68 119.66 116.14 3iu2 s GLN 154 Ca 0.67 2.18 0.00 0.00 -0.00 0.00 0.00 55.36 58.20 3iu2 s GLN 154 Cb -0.34 -2.73 0.00 0.00 0.00 0.00 0.00 33.01 29.94 3iu2 s GLN 154 CO 0.57 -0.54 0.00 0.41 0.00 0.00 0.00 175.29 175.73 3iu2 n GLY 155 N 0.65 0.79 3.38 2.60 0.00 -1.26 -5.05 105.19 106.30 3iu2 n GLY 155 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3iu2 n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu2 s PHE 156 N -2.52 2.34 0.07 1.61 0.40 -1.09 -0.47 117.98 118.32 3iu2 s PHE 156 Ca 0.00 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3iu2 s PHE 156 Cb 0.00 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 3iu2 s PHE 156 CO 0.00 0.25 -0.09 -0.08 0.70 0.00 0.00 175.22 176.00 3iu2 s THR 157 N -0.96 0.76 0.47 0.64 -1.32 0.08 -4.80 115.64 110.51 3iu2 s THR 157 Ca 0.13 -1.40 -0.21 0.00 -1.21 0.00 0.00 61.69 59.01 3iu2 s THR 157 Cb -0.10 -1.05 -0.08 0.00 -1.51 0.00 0.00 72.50 69.76 3iu2 s THR 157 CO 0.05 -0.48 1.05 0.26 -2.21 0.00 0.00 174.62 173.28 3iu2 s TRP 158 N -2.00 3.02 -0.23 9.09 0.52 -1.26 -0.99 118.94 127.09 3iu2 s TRP 158 Ca -0.01 1.58 -0.08 0.00 0.02 0.00 0.00 56.10 57.61 3iu2 s TRP 158 Cb -0.06 -3.09 0.10 0.00 -1.15 0.00 0.00 33.47 29.28 3iu2 s TRP 158 CO -0.00 -0.84 0.49 0.34 0.02 0.00 0.00 176.95 176.96 3iu2 s ASP 159 N -1.90 -0.52 0.02 2.95 2.15 -0.43 -4.85 116.67 114.08 3iu2 s ASP 159 Ca 0.66 1.16 -0.30 0.00 0.43 0.00 0.00 52.55 54.50 3iu2 s ASP 159 Cb -0.18 1.60 -0.05 0.00 -0.30 0.00 0.00 42.92 44.00 3iu2 s ASP 159 CO 0.21 -0.23 1.24 0.00 -0.17 0.00 0.00 175.17 176.23 3iu2 s ALA 160 N 2.65 3.46 -0.25 3.66 0.00 -1.26 -1.06 121.76 128.95 3iu2 s ALA 160 Ca -0.03 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 3iu2 s ALA 160 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3iu2 s ALA 160 CO -0.15 -0.62 0.51 -0.51 0.00 0.00 0.00 175.76 175.00 3iu2 s LEU 161 N 1.62 4.06 -0.79 0.00 1.43 -0.40 -4.93 118.68 119.67 3iu2 s LEU 161 Ca 0.59 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 54.00 3iu2 s LEU 161 Cb -0.29 -2.66 0.07 0.00 0.03 0.00 0.00 46.19 43.34 3iu2 s LEU 161 CO 0.27 -0.27 1.14 -0.62 0.23 0.00 0.00 176.35 177.10 3iu2 s ASP 162 N 1.49 6.32 0.00 2.29 -1.08 -1.26 -4.81 116.67 119.63 3iu2 s ASP 162 Ca 0.21 -1.18 0.18 0.00 -0.52 0.00 0.00 52.55 51.24 3iu2 s ASP 162 Cb -0.16 -2.47 0.77 0.00 -1.46 0.00 0.00 42.92 39.61 3iu2 s ASP 162 CO 0.09 -1.45 1.58 0.18 0.52 0.00 0.00 175.17 176.08 3iu2 n LEU 163 N 7.99 0.00 0.00 -1.34 4.77 -1.26 -1.56 117.00 125.60 3iu2 n LEU 163 Ca 0.10 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 3iu2 n LEU 163 Cb 0.48 -0.50 0.51 0.00 -2.33 0.00 0.00 43.42 41.58 3iu2 n LEU 163 CO 0.63 -0.19 0.86 0.61 -1.33 0.00 0.00 177.39 177.97 3iu2 n GLY 164 N 0.36 -1.22 3.66 -0.72 0.00 -1.26 -4.52 105.19 101.48 3iu2 n GLY 164 Ca 0.04 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3iu2 n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iu2 s ASP 165 N -2.90 6.52 0.28 1.61 2.15 -0.60 -4.98 116.67 118.75 3iu2 s ASP 165 Ca 0.14 0.62 -0.03 0.00 0.43 0.00 0.00 52.55 53.71 3iu2 s ASP 165 Cb 0.15 -2.28 0.40 0.00 -0.30 0.00 0.00 42.92 40.89 3iu2 s ASP 165 CO 0.40 -0.17 1.93 -0.09 -0.17 0.00 0.00 175.17 177.07 3iu2 h ARG 166 N 7.52 1.15 -0.37 4.34 9.65 -1.87 -1.39 114.38 133.43 3iu2 h ARG 166 Ca -0.34 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.40 3iu2 h ARG 166 Cb 1.15 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3iu2 h ARG 166 CO 0.73 0.76 -0.07 0.78 2.80 0.00 0.00 179.97 184.98 3iu2 h GLY 167 N 1.19 0.75 0.93 2.80 0.00 -1.94 -2.33 103.07 104.47 3iu2 h GLY 167 Ca 0.36 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3iu2 h GLY 167 CO -0.10 0.55 -0.05 -2.08 0.00 0.00 0.00 176.54 174.86 3iu2 h VAL 168 N 0.49 1.27 -0.76 4.60 2.07 -1.76 -2.09 116.25 120.08 3iu2 h VAL 168 Ca 0.10 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.58 3iu2 h VAL 168 Cb 0.56 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3iu2 h VAL 168 CO 0.03 0.36 0.46 0.25 0.02 0.00 0.00 177.57 178.69 3iu2 h LEU 169 N 0.46 0.73 -0.98 2.57 5.85 -1.28 -1.66 115.31 121.01 3iu2 h LEU 169 Ca 0.09 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3iu2 h LEU 169 Cb 0.54 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3iu2 h LEU 169 CO 0.03 0.49 -0.13 0.50 -0.34 0.00 0.00 178.44 178.99 3iu2 h LYS 170 N 0.87 0.60 -0.55 1.25 1.63 -1.32 0.28 116.57 119.32 3iu2 h LYS 170 Ca 0.32 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3iu2 h LYS 170 Cb 0.11 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3iu2 h LYS 170 CO -0.15 0.71 0.33 0.93 -3.45 0.00 0.00 179.45 177.82 3iu2 h GLU 171 N 0.55 0.63 -0.38 1.90 5.08 -0.72 -0.66 114.58 120.98 3iu2 h GLU 171 Ca 0.10 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3iu2 h GLU 171 Cb 0.54 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3iu2 h GLU 171 CO 0.03 0.42 0.11 1.25 -1.00 0.00 0.00 179.01 179.82 3iu2 h LEU 172 N 0.65 0.56 -0.56 1.33 5.85 -0.92 -1.19 115.31 121.04 3iu2 h LEU 172 Ca 0.22 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3iu2 h LEU 172 Cb 0.03 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 3iu2 h LEU 172 CO -0.10 0.63 0.00 0.22 -0.34 0.00 0.00 178.44 178.85 3iu2 h TYR 173 N 0.47 -0.03 -0.29 1.25 3.20 -0.61 -1.59 116.97 119.36 3iu2 h TYR 173 Ca 0.12 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 3iu2 h TYR 173 Cb 0.28 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3iu2 h TYR 173 CO 0.01 -0.14 -0.14 1.15 -1.64 0.00 0.00 178.16 177.40 3iu2 h THR 174 N 0.12 1.30 -0.39 1.81 2.02 -0.90 0.18 112.91 117.05 3iu2 h THR 174 Ca 0.29 -1.24 0.07 0.00 0.77 0.00 0.00 66.41 66.30 3iu2 h THR 174 Cb 0.45 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 3iu2 h THR 174 CO -0.48 0.39 0.01 0.25 0.37 0.00 0.00 175.52 176.07 3iu2 h LEU 175 N 0.35 -0.14 -0.24 2.58 5.85 -0.81 -0.95 115.31 121.96 3iu2 h LEU 175 Ca 0.06 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3iu2 h LEU 175 Cb 0.66 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3iu2 h LEU 175 CO 0.04 -0.03 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.58 3iu2 h LEU 176 N 0.12 0.82 -1.04 2.25 3.38 -1.17 0.25 115.31 119.92 3iu2 h LEU 176 Ca 0.19 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.71 3iu2 h LEU 176 Cb 0.26 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3iu2 h LEU 176 CO -0.31 1.21 0.63 -1.13 0.09 0.00 0.00 178.44 178.93 3iu2 h ASN 177 N 0.46 0.95 0.52 -0.43 -0.73 -0.34 -0.11 115.58 115.89 3iu2 h ASN 177 Ca 0.01 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3iu2 h ASN 177 Cb 1.07 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.50 3iu2 h ASN 177 CO 0.10 0.55 -1.35 -0.62 -0.37 0.00 0.00 177.43 175.74 3iu2 n GLU 178 N -4.56 0.55 0.00 6.67 1.02 -0.39 -4.65 120.64 119.27 3iu2 n GLU 178 Ca 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3iu2 n GLU 178 Cb 0.29 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3iu2 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iu2 n ASN 179 N -2.36 0.43 -1.85 1.62 3.02 0.07 -4.91 115.26 111.27 3iu2 n ASN 179 Ca -0.01 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3iu2 n ASN 179 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 3iu2 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iu2 n TYR 180 N -0.07 -1.22 -1.71 3.10 9.36 -0.07 -4.70 117.16 121.86 3iu2 n TYR 180 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3iu2 n TYR 180 Cb 0.29 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.97 3iu2 n TYR 180 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3iu2 n VAL 181 N -0.54 0.18 -4.25 2.97 0.31 -1.26 -4.80 118.33 110.93 3iu2 n VAL 181 Ca 0.00 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.06 3iu2 n VAL 181 Cb 0.00 -2.07 -0.07 0.00 -0.91 0.00 0.00 33.84 30.79 3iu2 n VAL 181 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3iu2 s GLU 182 N 1.93 2.37 1.05 5.55 2.02 -1.26 -2.02 118.70 128.33 3iu2 s GLU 182 Ca 0.78 -1.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 3iu2 s GLU 182 Cb -0.49 -2.25 0.21 0.00 0.10 0.00 0.00 34.13 31.70 3iu2 s GLU 182 CO 0.34 0.40 1.11 0.16 0.02 0.00 0.00 175.26 177.29 3iu2 s ASP 183 N -3.45 2.25 0.46 -0.19 -4.77 -0.72 -4.90 116.67 105.35 3iu2 s ASP 183 Ca 0.30 0.95 0.31 0.00 -3.30 0.00 0.00 52.55 50.81 3iu2 s ASP 183 Cb -0.07 -1.46 1.35 0.00 -1.09 0.00 0.00 42.92 41.65 3iu2 s ASP 183 CO 0.20 -3.33 1.92 0.44 0.70 0.00 0.00 175.17 175.10 3iu2 h ASP 184 N -2.03 0.00 -0.20 2.11 3.32 -1.97 -1.90 116.42 115.73 3iu2 h ASP 184 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3iu2 h ASP 184 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3iu2 h ASP 184 CO 0.51 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.50 3iu2 n ASP 185 N -2.77 2.69 -3.71 6.45 8.00 -1.26 -4.98 116.55 120.97 3iu2 n ASP 185 Ca 0.01 -1.87 -0.24 0.00 0.71 0.00 0.00 54.79 53.40 3iu2 n ASP 185 Cb 0.24 -0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 3iu2 n ASP 185 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iu2 n ASN 186 N 1.03 -3.12 -0.01 -2.24 4.13 -0.72 -4.92 115.26 109.41 3iu2 n ASN 186 Ca 0.17 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.70 3iu2 n ASN 186 Cb 0.51 -4.32 -0.03 0.00 -1.54 0.00 0.00 39.78 34.40 3iu2 n ASN 186 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3iu2 n MET 187 N -4.48 1.42 -4.11 3.52 2.81 -1.26 -4.92 117.12 110.10 3iu2 n MET 187 Ca -0.15 -0.02 -0.15 0.00 -1.81 0.00 0.00 57.70 55.56 3iu2 n MET 187 Cb 0.62 -1.10 -0.14 0.00 -0.71 0.00 0.00 33.22 31.89 3iu2 n MET 187 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3iu2 s PHE 188 N -2.21 0.42 -0.02 2.03 0.08 -1.26 -1.00 117.98 116.02 3iu2 s PHE 188 Ca -0.02 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.97 3iu2 s PHE 188 Cb 0.02 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 3iu2 s PHE 188 CO 0.17 -0.01 -0.12 0.50 -0.10 0.00 0.00 175.22 175.65 3iu2 s ARG 189 N -0.20 1.08 0.45 0.44 3.52 -0.66 -1.76 118.95 121.83 3iu2 s ARG 189 Ca 0.01 -0.43 -0.24 0.00 -0.13 0.00 0.00 55.73 54.95 3iu2 s ARG 189 Cb -0.02 -1.02 -0.09 0.00 -1.56 0.00 0.00 34.95 32.26 3iu2 s ARG 189 CO -0.00 0.23 1.14 1.19 -0.81 0.00 0.00 175.30 177.04 3iu2 n PHE 190 N 2.95 1.60 -3.16 5.12 0.99 -0.86 -0.14 117.46 123.97 3iu2 n PHE 190 Ca -0.15 0.51 -0.23 0.00 -0.00 0.00 0.00 57.45 57.57 3iu2 n PHE 190 Cb 0.55 -2.29 -0.05 0.00 -1.00 0.00 0.00 39.48 36.69 3iu2 n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3iu2 n ASP 191 N 0.10 2.27 -4.67 4.37 2.03 -0.17 -4.57 116.55 115.91 3iu2 n ASP 191 Ca 0.09 -3.22 -0.46 0.00 0.52 0.00 0.00 54.79 51.72 3iu2 n ASP 191 Cb 0.41 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.15 3iu2 n ASP 191 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3iu2 n TYR 192 N 0.44 2.31 -1.84 -0.67 4.02 -1.26 -4.30 117.16 115.85 3iu2 n TYR 192 Ca 0.27 0.25 -0.31 0.00 -0.01 0.00 0.00 57.90 58.09 3iu2 n TYR 192 Cb 0.51 -2.55 0.02 0.00 -0.02 0.00 0.00 39.34 37.30 3iu2 n TYR 192 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3iu2 s SER 193 N 0.99 5.92 0.20 7.72 1.04 -1.26 -4.88 113.70 123.43 3iu2 s SER 193 Ca 0.79 1.55 -0.11 0.00 0.48 0.00 0.00 55.95 58.66 3iu2 s SER 193 Cb -0.67 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.11 3iu2 s SER 193 CO 0.38 -1.08 1.86 -0.65 0.98 0.00 0.00 173.24 174.73 3iu2 h PRO 194 N -0.23 0.87 -0.34 4.02 0.11 -1.93 -0.49 132.00 134.00 3iu2 h PRO 194 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3iu2 h PRO 194 Cb 1.20 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3iu2 h PRO 194 CO 0.60 0.57 -0.07 0.93 -0.21 0.00 0.00 178.00 179.82 3iu2 h GLU 195 N 0.89 0.56 -0.49 1.05 3.07 -1.99 -1.53 114.58 116.14 3iu2 h GLU 195 Ca 0.26 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3iu2 h GLU 195 Cb -0.05 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3iu2 h GLU 195 CO -0.08 0.63 0.16 0.35 -1.40 0.00 0.00 179.01 178.68 3iu2 h PHE 196 N 0.52 0.79 -0.61 4.33 3.57 -1.81 -2.43 116.94 121.30 3iu2 h PHE 196 Ca 0.10 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3iu2 h PHE 196 Cb 0.44 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3iu2 h PHE 196 CO 0.02 0.68 0.25 -0.07 -2.23 0.00 0.00 178.31 176.96 3iu2 h LEU 197 N 0.67 0.80 -0.68 0.59 3.38 -0.65 0.82 115.31 120.24 3iu2 h LEU 197 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iu2 h LEU 197 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3iu2 h LEU 197 CO -0.01 0.71 0.34 0.25 0.09 0.00 0.00 178.44 179.82 3iu2 h LEU 198 N 0.87 0.88 0.08 1.67 7.12 -1.17 -0.96 115.31 123.79 3iu2 h LEU 198 Ca 0.21 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 3iu2 h LEU 198 Cb 0.16 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 3iu2 h LEU 198 CO -0.02 0.75 -0.04 -0.25 -0.13 0.00 0.00 178.44 178.75 3iu2 h TRP 199 N 0.94 -0.10 -0.06 1.25 7.01 -0.85 -1.56 115.95 122.58 3iu2 h TRP 199 Ca 0.23 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 3iu2 h TRP 199 Cb 0.10 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3iu2 h TRP 199 CO 0.00 0.02 -0.20 0.00 -2.79 0.00 0.00 178.44 175.47 3iu2 h ALA 200 N 0.72 1.55 0.00 2.65 0.00 -0.75 -3.34 119.26 120.10 3iu2 h ALA 200 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iu2 h ALA 200 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iu2 h ALA 200 CO 0.02 0.33 -0.99 1.28 0.00 0.00 0.00 179.25 179.89 3iu2 n LEU 201 N -4.26 0.33 -2.67 0.00 4.77 -0.38 -4.57 117.00 110.23 3iu2 n LEU 201 Ca -0.02 -0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 3iu2 n LEU 201 Cb 0.29 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3iu2 n LEU 201 CO 0.38 0.08 0.36 0.54 -1.33 0.00 0.00 177.39 177.42 3iu2 n ARG 202 N -1.56 3.39 -1.50 3.23 1.74 -0.59 -4.86 116.66 116.51 3iu2 n ARG 202 Ca 0.00 -4.50 -0.29 0.00 -0.77 0.00 0.00 57.85 52.30 3iu2 n ARG 202 Cb 0.24 -2.26 0.14 0.00 -1.02 0.00 0.00 32.46 29.57 3iu2 n ARG 202 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iu2 s PRO 203 N -3.61 0.98 0.18 5.56 0.04 -1.26 -4.87 135.00 132.02 3iu2 s PRO 203 Ca 0.48 0.27 -0.33 0.00 0.04 0.00 0.00 61.00 61.46 3iu2 s PRO 203 Cb 0.37 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.94 3iu2 s PRO 203 CO -0.20 -2.31 1.29 -2.30 0.04 0.00 0.00 177.00 173.53 3iu2 n PRO 204 N -3.84 1.48 -0.61 0.56 -0.02 -1.26 -1.67 135.00 129.64 3iu2 n PRO 204 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3iu2 n PRO 204 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3iu2 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu2 n GLY 205 N 2.26 0.79 3.66 -1.23 0.00 -1.26 -4.79 105.19 104.62 3iu2 n GLY 205 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3iu2 n GLY 205 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iu2 n TRP 206 N -2.05 1.39 -4.87 1.61 4.27 -0.67 -4.68 117.44 112.44 3iu2 n TRP 206 Ca 0.00 0.46 -0.26 0.00 -3.89 0.00 0.00 57.50 53.81 3iu2 n TRP 206 Cb 0.00 -2.23 -0.15 0.00 -1.36 0.00 0.00 31.31 27.56 3iu2 n TRP 206 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iu2 s LEU 207 N -2.12 2.07 0.29 5.67 1.43 -1.26 -5.05 118.68 119.70 3iu2 s LEU 207 Ca 0.71 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3iu2 s LEU 207 Cb -0.45 -0.99 0.43 0.00 0.03 0.00 0.00 46.19 45.22 3iu2 s LEU 207 CO 0.50 0.22 1.76 1.55 0.23 0.00 0.00 176.35 180.61 3iu2 h PRO 208 N 5.48 0.55 0.00 1.29 0.13 -1.96 -2.26 132.00 135.24 3iu2 h PRO 208 Ca -0.39 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3iu2 h PRO 208 Cb 1.15 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3iu2 h PRO 208 CO 0.47 0.69 0.00 -0.56 -0.23 0.00 0.00 178.00 178.37 3iu2 h GLN 209 N 0.50 0.00 -0.27 0.86 -0.00 -1.97 -2.61 115.11 111.62 3iu2 h GLN 209 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 3iu2 h GLN 209 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.04 3iu2 h GLN 209 CO 0.04 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.78 3iu2 n TRP 210 N -2.96 0.36 -3.56 0.06 8.01 -0.85 -4.33 117.44 114.17 3iu2 n TRP 210 Ca -0.01 -0.18 -0.39 0.00 -1.31 0.00 0.00 57.50 55.61 3iu2 n TRP 210 Cb 0.15 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.40 3iu2 n TRP 210 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3iu2 s HIS 211 N -1.64 3.84 -0.54 -5.99 3.76 -0.99 -1.81 115.29 111.92 3iu2 s HIS 211 Ca 0.28 -2.76 -0.17 0.00 -0.15 0.00 0.00 55.06 52.26 3iu2 s HIS 211 Cb 0.15 -3.42 0.10 0.00 1.11 0.00 0.00 32.58 30.52 3iu2 s HIS 211 CO 0.22 -0.83 0.56 0.00 -0.85 0.00 0.00 174.74 173.83 3iu2 s GLY 213 N 3.26 1.33 -0.09 0.00 0.00 -0.22 -1.54 107.32 110.05 3iu2 s GLY 213 Ca 0.08 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.68 3iu2 s GLY 213 CO 0.06 -1.16 -0.21 0.14 0.00 0.00 0.00 173.10 171.93 3iu2 s VAL 214 N -1.96 1.82 0.11 1.40 1.01 0.22 -1.32 120.40 121.69 3iu2 s VAL 214 Ca 0.35 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3iu2 s VAL 214 Cb -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3iu2 s VAL 214 CO 0.30 0.51 -0.23 -0.13 0.00 0.00 0.00 175.10 175.54 3iu2 s ARG 215 N 0.42 1.23 -0.01 2.72 0.52 -0.17 -0.72 118.95 122.95 3iu2 s ARG 215 Ca -0.18 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 53.49 3iu2 s ARG 215 Cb -0.17 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 3iu2 s ARG 215 CO 0.08 0.37 1.26 0.08 0.02 0.00 0.00 175.30 177.11 3iu2 s VAL 216 N -1.13 4.02 0.19 3.52 1.01 -0.34 -0.74 120.40 126.93 3iu2 s VAL 216 Ca 0.09 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 3iu2 s VAL 216 Cb -0.10 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.49 3iu2 s VAL 216 CO 0.05 0.02 1.78 0.58 0.00 0.00 0.00 175.10 177.53 3iu2 h VAL 217 N 4.87 0.91 0.05 2.92 2.07 -1.10 0.16 116.25 126.12 3iu2 h VAL 217 Ca -0.37 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iu2 h VAL 217 Cb 1.18 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3iu2 h VAL 217 CO 0.87 0.09 -0.02 0.77 0.02 0.00 0.00 177.57 179.30 3iu2 h SER 218 N 0.51 -0.06 1.53 0.57 4.64 -1.93 -3.36 113.55 115.46 3iu2 h SER 218 Ca 0.26 -0.58 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3iu2 h SER 218 Cb 0.20 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3iu2 h SER 218 CO -0.20 0.67 -0.47 0.77 -0.87 0.00 0.00 176.83 176.73 3iu2 h SER 219 N -0.91 0.00 0.00 4.97 4.64 -1.95 -3.47 113.55 116.82 3iu2 h SER 219 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iu2 h SER 219 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3iu2 h SER 219 CO 0.01 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 3iu2 n ARG 220 N -2.94 -0.15 -1.72 4.77 5.12 0.55 -5.00 116.66 117.30 3iu2 n ARG 220 Ca 0.02 0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 3iu2 n ARG 220 Cb 0.56 -3.15 -0.03 0.00 -1.16 0.00 0.00 32.46 28.68 3iu2 n ARG 220 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3iu2 n LYS 221 N -2.00 2.67 -2.27 5.56 4.81 -1.25 -4.50 118.16 121.19 3iu2 n LYS 221 Ca 0.00 0.96 -0.43 0.00 -0.87 0.00 0.00 58.31 57.97 3iu2 n LYS 221 Cb 0.04 -2.78 -0.02 0.00 0.02 0.00 0.00 35.03 32.29 3iu2 n LYS 221 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3iu2 s LEU 222 N 0.72 4.14 0.00 3.14 2.96 -1.26 -1.20 118.68 127.18 3iu2 s LEU 222 Ca 0.73 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 3iu2 s LEU 222 Cb -0.53 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.63 3iu2 s LEU 222 CO 0.37 -0.91 0.26 1.33 -1.32 0.00 0.00 176.35 176.08 3iu2 n VAL 223 N 5.64 0.00 -3.53 1.68 0.24 0.10 -4.88 118.33 117.59 3iu2 n VAL 223 Ca 0.16 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 3iu2 n VAL 223 Cb 0.45 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 3iu2 n VAL 223 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iu2 s GLY 224 N -0.19 -0.49 -0.05 7.63 0.00 -1.00 -1.16 107.32 112.06 3iu2 s GLY 224 Ca 0.00 0.61 -0.31 0.00 0.00 0.00 0.00 44.72 45.02 3iu2 s GLY 224 CO 0.00 0.29 0.70 -0.12 0.00 0.00 0.00 173.10 173.97 3iu2 s PHE 225 N -2.79 -0.64 -0.04 1.90 5.36 -0.53 -0.61 117.98 120.65 3iu2 s PHE 225 Ca -0.03 1.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.78 3iu2 s PHE 225 Cb -0.00 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.14 3iu2 s PHE 225 CO -0.04 -0.60 0.50 -1.50 -1.46 0.00 0.00 175.22 172.11 3iu2 s ILE 226 N -1.28 0.03 0.07 3.12 2.07 -0.59 -1.12 121.20 123.50 3iu2 s ILE 226 Ca -0.10 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.95 3iu2 s ILE 226 Cb -0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 3iu2 s ILE 226 CO 0.09 -0.12 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.95 3iu2 s SER 227 N -1.22 1.24 -0.01 4.50 1.04 -0.73 -1.58 113.70 116.94 3iu2 s SER 227 Ca -0.12 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.71 3iu2 s SER 227 Cb -0.03 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3iu2 s SER 227 CO 0.07 -0.19 -0.17 0.00 0.98 0.00 0.00 173.24 173.93 3iu2 s ALA 228 N -1.69 1.37 0.07 5.32 0.00 -0.75 -2.29 121.76 123.80 3iu2 s ALA 228 Ca -0.03 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3iu2 s ALA 228 Cb -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3iu2 s ALA 228 CO 0.01 0.33 -0.17 0.96 0.00 0.00 0.00 175.76 176.89 3iu2 s ILE 229 N -0.41 1.38 0.42 0.00 -4.36 -0.77 -4.77 121.20 112.69 3iu2 s ILE 229 Ca 0.06 -1.31 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 3iu2 s ILE 229 Cb -0.06 -1.27 -0.09 0.00 1.25 0.00 0.00 42.46 42.29 3iu2 s ILE 229 CO -0.00 -0.07 1.06 -2.16 0.24 0.00 0.00 174.94 174.00 3iu2 s PRO 230 N -1.61 4.07 -0.20 0.37 0.04 -1.26 -0.81 135.00 135.59 3iu2 s PRO 230 Ca 0.03 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 3iu2 s PRO 230 Cb -0.09 -2.46 0.05 0.00 0.04 0.00 0.00 34.50 32.04 3iu2 s PRO 230 CO 0.03 -0.23 0.52 0.00 0.04 0.00 0.00 177.00 177.36 3iu2 s ALA 231 N -1.69 -1.31 -0.15 8.56 0.00 -0.65 -4.81 121.76 121.71 3iu2 s ALA 231 Ca 0.60 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 3iu2 s ALA 231 Cb -0.22 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3iu2 s ALA 231 CO 0.27 -0.26 0.74 -0.80 0.00 0.00 0.00 175.76 175.71 3iu2 s ASN 232 N 0.56 6.90 -0.08 0.00 -0.87 -1.26 -0.30 114.94 119.88 3iu2 s ASN 232 Ca -0.02 1.09 0.05 0.00 -1.57 0.00 0.00 52.86 52.41 3iu2 s ASN 232 Cb -0.04 -2.42 -0.00 0.00 -0.02 0.00 0.00 41.25 38.77 3iu2 s ASN 232 CO -0.03 -0.29 -0.24 -0.63 -2.57 0.00 0.00 177.10 173.34 3iu2 s ILE 233 N 1.72 2.04 -0.29 0.60 -1.09 -0.11 -0.59 121.20 123.47 3iu2 s ILE 233 Ca 0.36 -1.03 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 3iu2 s ILE 233 Cb -0.17 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 3iu2 s ILE 233 CO 0.13 0.56 0.25 -2.28 -1.23 0.00 0.00 174.94 172.37 3iu2 s HIS 234 N 0.14 3.23 -0.24 3.97 2.46 -0.05 -0.95 115.29 123.84 3iu2 s HIS 234 Ca -0.13 0.10 0.01 0.00 0.47 0.00 0.00 55.06 55.51 3iu2 s HIS 234 Cb -0.16 -2.46 0.06 0.00 -0.13 0.00 0.00 32.58 29.89 3iu2 s HIS 234 CO 0.07 -0.23 -0.04 -1.50 -2.47 0.00 0.00 174.74 170.57 3iu2 s ILE 235 N 1.83 1.46 0.00 0.89 1.10 0.28 -1.45 121.20 125.31 3iu2 s ILE 235 Ca 0.09 -1.22 0.00 0.00 -0.51 0.00 0.00 60.65 59.00 3iu2 s ILE 235 Cb -0.16 -1.77 0.00 0.00 0.15 0.00 0.00 42.46 40.68 3iu2 s ILE 235 CO 0.11 -0.15 0.00 -1.22 -2.11 0.00 0.00 174.94 171.57 3iu2 n TYR 236 N 4.69 0.00 -0.18 3.50 4.01 0.14 -1.75 117.16 127.57 3iu2 n TYR 236 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.67 3iu2 n TYR 236 Cb 0.44 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.71 3iu2 n TYR 236 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iu2 n ASP 237 N 4.69 3.90 -4.08 7.72 8.00 -1.26 -4.89 116.55 130.64 3iu2 n ASP 237 Ca 0.00 -2.60 -0.24 0.00 0.71 0.00 0.00 54.79 52.66 3iu2 n ASP 237 Cb 0.00 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.32 3iu2 n ASP 237 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iu2 s THR 238 N -2.08 1.19 -0.19 -3.53 2.01 -0.72 -5.13 115.64 107.20 3iu2 s THR 238 Ca 0.34 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 3iu2 s THR 238 Cb 0.26 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3iu2 s THR 238 CO 0.10 0.35 0.01 -0.70 -0.69 0.00 0.00 174.62 173.69 3iu2 s GLU 239 N 0.13 3.74 0.02 4.92 2.12 -1.26 -0.56 118.70 127.81 3iu2 s GLU 239 Ca -0.04 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.87 3iu2 s GLU 239 Cb -0.11 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3iu2 s GLU 239 CO 0.02 0.14 -0.15 0.15 -0.54 0.00 0.00 175.26 174.87 3iu2 s LYS 240 N 0.69 1.11 -0.13 4.30 -0.14 -0.12 -4.97 119.74 120.48 3iu2 s LYS 240 Ca 0.01 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 3iu2 s LYS 240 Cb -0.14 -1.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.88 3iu2 s LYS 240 CO 0.02 0.29 1.24 0.21 -0.76 0.00 0.00 175.35 176.35 3iu2 s LYS 241 N -0.77 4.28 0.16 1.68 2.47 -1.26 -0.93 119.74 125.37 3iu2 s LYS 241 Ca 0.04 1.66 0.01 0.00 -1.56 0.00 0.00 55.97 56.13 3iu2 s LYS 241 Cb -0.07 -3.69 -0.00 0.00 -1.46 0.00 0.00 37.83 32.61 3iu2 s LYS 241 CO 0.00 -0.61 0.04 -1.33 0.16 0.00 0.00 175.35 173.62 3iu2 n MET 242 N 6.09 0.98 -4.33 4.03 2.81 0.58 -4.56 117.12 122.71 3iu2 n MET 242 Ca 0.13 -1.32 -0.21 0.00 -1.81 0.00 0.00 57.70 54.48 3iu2 n MET 242 Cb 0.45 0.63 -0.11 0.00 -0.71 0.00 0.00 33.22 33.48 3iu2 n MET 242 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3iu2 s VAL 243 N -2.02 1.82 -0.19 2.03 -7.23 -1.06 -1.63 120.40 112.12 3iu2 s VAL 243 Ca 0.06 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 3iu2 s VAL 243 Cb 0.00 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 3iu2 s VAL 243 CO 0.04 -0.34 0.05 -1.61 -0.31 0.00 0.00 175.10 172.93 3iu2 s GLU 244 N -2.88 3.89 -0.14 4.82 2.02 0.01 -1.04 118.70 125.37 3iu2 s GLU 244 Ca 0.16 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 3iu2 s GLU 244 Cb -0.05 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3iu2 s GLU 244 CO 0.07 0.20 0.08 0.42 0.02 0.00 0.00 175.26 176.05 3iu2 s ILE 245 N 0.54 4.97 0.20 -1.63 -1.09 -0.88 -1.84 121.20 121.47 3iu2 s ILE 245 Ca 0.02 0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.27 3iu2 s ILE 245 Cb -0.13 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 3iu2 s ILE 245 CO 0.01 0.54 0.56 0.21 -1.23 0.00 0.00 174.94 175.04 3iu2 s ASN 246 N -0.35 -0.30 -1.64 3.58 3.84 -0.97 -4.62 114.94 114.48 3iu2 s ASN 246 Ca 0.10 -0.43 -0.01 0.00 0.21 0.00 0.00 52.86 52.73 3iu2 s ASN 246 Cb -0.12 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.19 3iu2 s ASN 246 CO 0.02 -1.08 0.10 0.49 -2.79 0.00 0.00 177.10 173.83 3iu2 n PHE 247 N -0.36 -1.09 -1.81 0.43 3.01 -1.26 -1.78 117.46 114.60 3iu2 n PHE 247 Ca -0.10 0.08 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 3iu2 n PHE 247 Cb 0.62 -3.88 -0.03 0.00 -0.01 0.00 0.00 39.48 36.19 3iu2 n PHE 247 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iu2 s LEU 248 N -5.74 4.39 -0.14 4.37 2.96 -1.26 -3.98 118.68 119.29 3iu2 s LEU 248 Ca 0.05 2.52 -0.09 0.00 -0.22 0.00 0.00 54.13 56.38 3iu2 s LEU 248 Cb -0.02 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.18 3iu2 s LEU 248 CO 0.06 -1.00 0.35 0.00 -1.32 0.00 0.00 176.35 174.44 3iu2 s VAL 250 N 0.87 1.52 0.37 0.00 1.01 -1.26 -1.45 120.40 121.46 3iu2 s VAL 250 Ca -0.06 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 3iu2 s VAL 250 Cb -0.06 -1.33 -0.12 0.00 0.00 0.00 0.00 36.38 34.86 3iu2 s VAL 250 CO -0.06 0.44 1.01 1.57 0.00 0.00 0.00 175.10 178.05 3iu2 n HIS 251 N 3.52 1.21 -0.26 5.22 -0.00 -0.31 -4.81 115.22 119.80 3iu2 n HIS 251 Ca -0.20 0.61 0.16 0.00 0.46 0.00 0.00 57.72 58.75 3iu2 n HIS 251 Cb 0.52 -2.24 0.45 0.00 -0.12 0.00 0.00 29.99 28.61 3iu2 n HIS 251 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3iu2 h LYS 252 N 1.73 0.51 0.00 1.57 1.57 -1.91 0.87 116.57 120.91 3iu2 h LYS 252 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3iu2 h LYS 252 Cb 1.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3iu2 h LYS 252 CO 0.58 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 181.43 3iu2 n LYS 253 N -4.55 0.17 -0.15 3.15 5.02 -1.26 -2.95 118.16 117.59 3iu2 n LYS 253 Ca 0.19 0.32 0.07 0.00 -2.02 0.00 0.00 58.31 56.87 3iu2 n LYS 253 Cb 0.61 -1.77 0.15 0.00 -0.02 0.00 0.00 35.03 34.00 3iu2 n LYS 253 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iu2 n LEU 254 N -2.08 2.86 -4.78 -0.35 4.77 0.28 -5.04 117.00 112.67 3iu2 n LEU 254 Ca 0.03 -1.61 -0.35 0.00 -0.03 0.00 0.00 56.01 54.05 3iu2 n LEU 254 Cb 0.28 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iu2 n LEU 254 CO 0.22 0.65 0.77 -0.13 -1.33 0.00 0.00 177.39 177.58 3iu2 s ARG 255 N -1.09 3.35 -1.03 3.23 1.81 -1.13 -3.85 118.95 120.23 3iu2 s ARG 255 Ca 0.26 1.57 -0.00 0.00 -1.72 0.00 0.00 55.73 55.83 3iu2 s ARG 255 Cb 0.15 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 3iu2 s ARG 255 CO 0.20 -0.85 0.05 0.43 -0.68 0.00 0.00 175.30 174.45 3iu2 n SER 256 N -1.37 -3.93 -0.14 0.23 7.64 -1.26 -4.91 113.62 109.88 3iu2 n SER 256 Ca 0.11 -0.03 0.07 0.00 1.01 0.00 0.00 58.87 60.04 3iu2 n SER 256 Cb 0.51 -3.10 0.10 0.00 -1.01 0.00 0.00 64.21 60.72 3iu2 n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iu2 n LYS 257 N -2.24 1.13 -2.84 1.43 5.02 -1.25 -5.00 118.16 114.41 3iu2 n LYS 257 Ca -0.14 -2.20 -0.22 0.00 -2.02 0.00 0.00 58.31 53.73 3iu2 n LYS 257 Cb 0.61 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 34.36 3iu2 n LYS 257 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iu2 n ARG 258 N -1.11 -3.98 0.09 1.97 5.12 -1.26 -4.91 116.66 112.59 3iu2 n ARG 258 Ca 0.12 0.94 -0.13 0.00 -1.93 0.00 0.00 57.85 56.85 3iu2 n ARG 258 Cb 0.63 -5.73 -0.13 0.00 -1.16 0.00 0.00 32.46 26.07 3iu2 n ARG 258 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3iu2 h VAL 259 N -1.00 1.56 -0.44 1.55 2.07 -1.94 -3.36 116.25 114.69 3iu2 h VAL 259 Ca -0.52 -3.13 0.04 0.00 0.82 0.00 0.00 66.70 63.91 3iu2 h VAL 259 Cb 1.37 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.98 3iu2 h VAL 259 CO 0.57 0.91 0.20 0.00 0.02 0.00 0.00 177.57 179.27 3iu2 h ALA 260 N 0.71 0.54 -0.83 1.67 0.00 -1.95 -2.02 119.26 117.38 3iu2 h ALA 260 Ca -0.10 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3iu2 h ALA 260 Cb 1.89 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 3iu2 h ALA 260 CO 0.18 -0.16 0.54 -1.35 0.00 0.00 0.00 179.25 178.46 3iu2 h PRO 261 N 0.41 0.72 -0.44 0.00 0.11 -1.99 -0.47 132.00 130.34 3iu2 h PRO 261 Ca 0.19 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3iu2 h PRO 261 Cb 0.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3iu2 h PRO 261 CO -0.15 0.48 -0.18 0.28 -0.21 0.00 0.00 178.00 178.21 3iu2 h VAL 262 N 0.74 1.27 -0.85 3.15 2.07 -1.54 -0.55 116.25 120.55 3iu2 h VAL 262 Ca 0.39 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3iu2 h VAL 262 Cb 0.50 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3iu2 h VAL 262 CO -0.16 0.45 0.42 -0.07 0.02 0.00 0.00 177.57 178.24 3iu2 h LEU 263 N 0.74 1.11 -0.11 2.57 3.38 -0.75 -0.73 115.31 121.52 3iu2 h LEU 263 Ca 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3iu2 h LEU 263 Cb 0.75 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iu2 h LEU 263 CO 0.06 0.92 -0.07 0.40 0.09 0.00 0.00 178.44 179.84 3iu2 h ILE 264 N 1.21 1.33 -0.64 1.22 2.04 -0.86 -1.87 117.51 119.94 3iu2 h ILE 264 Ca 0.29 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 3iu2 h ILE 264 Cb 0.10 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3iu2 h ILE 264 CO -0.04 0.33 0.21 0.03 0.00 0.00 0.00 178.15 178.68 3iu2 h ARG 265 N -0.14 0.96 -0.37 2.37 3.08 -1.08 -1.60 114.38 117.60 3iu2 h ARG 265 Ca 0.02 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 3iu2 h ARG 265 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3iu2 h ARG 265 CO 0.02 0.82 -0.01 1.49 -1.07 0.00 0.00 179.97 181.22 3iu2 h GLU 266 N 0.94 0.66 -0.17 0.04 4.57 -1.07 -1.02 114.58 118.52 3iu2 h GLU 266 Ca 0.21 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3iu2 h GLU 266 Cb 0.25 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3iu2 h GLU 266 CO -0.01 0.77 -0.31 0.97 -1.18 0.00 0.00 179.01 179.25 3iu2 h ILE 267 N 0.48 1.27 -0.20 2.32 6.09 -1.27 -1.61 117.51 124.60 3iu2 h ILE 267 Ca 0.10 -1.32 0.01 0.00 -1.37 0.00 0.00 64.86 62.29 3iu2 h ILE 267 Cb 0.48 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 3iu2 h ILE 267 CO 0.02 0.41 0.10 0.74 -3.07 0.00 0.00 178.15 176.34 3iu2 h THR 268 N 0.30 0.99 -0.41 2.19 2.02 -1.06 -0.80 112.91 116.14 3iu2 h THR 268 Ca 0.04 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.16 3iu2 h THR 268 Cb 0.70 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3iu2 h THR 268 CO 0.05 0.04 0.25 -0.09 0.37 0.00 0.00 175.52 176.14 3iu2 h ARG 269 N 0.21 0.50 -0.15 6.66 2.43 -0.87 0.12 114.38 123.27 3iu2 h ARG 269 Ca 0.08 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3iu2 h ARG 269 Cb 0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3iu2 h ARG 269 CO -0.06 0.33 -0.24 0.00 -1.51 0.00 0.00 179.97 178.49 3iu2 h ARG 270 N 0.51 0.26 -0.09 0.20 3.08 -1.07 -1.70 114.38 115.57 3iu2 h ARG 270 Ca 0.16 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 59.88 3iu2 h ARG 270 Cb -0.01 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3iu2 h ARG 270 CO -0.06 0.50 -0.90 0.28 -1.07 0.00 0.00 179.97 178.72 3iu2 h VAL 271 N 0.24 1.28 -0.88 2.04 2.07 -0.74 -3.24 116.25 117.02 3iu2 h VAL 271 Ca 0.04 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 65.50 3iu2 h VAL 271 Cb 0.56 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 3iu2 h VAL 271 CO 0.04 0.66 0.58 0.45 0.02 0.00 0.00 177.57 179.32 3iu2 h HIS 272 N 0.48 1.05 0.00 1.57 3.86 -0.37 -1.76 115.15 119.98 3iu2 h HIS 272 Ca -0.09 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3iu2 h HIS 272 Cb 1.54 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 3iu2 h HIS 272 CO 0.09 0.60 -0.00 -0.07 0.86 0.00 0.00 177.93 179.41 3iu2 h LEU 273 N 1.08 0.00 -1.56 2.43 3.38 -1.35 -1.05 115.31 118.24 3iu2 h LEU 273 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3iu2 h LEU 273 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3iu2 h LEU 273 CO -0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.80 3iu2 n GLU 274 N -4.17 2.06 -1.63 1.13 -0.58 -0.67 -4.92 120.64 111.84 3iu2 n GLU 274 Ca -0.03 -1.44 -0.07 0.00 -0.42 0.00 0.00 57.16 55.20 3iu2 n GLU 274 Cb 0.09 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 3iu2 n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iu2 n GLY 275 N 1.02 0.51 3.33 0.62 0.00 -0.40 -5.04 105.19 105.24 3iu2 n GLY 275 Ca 0.13 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3iu2 n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iu2 s ILE 276 N -2.28 2.77 0.00 -0.61 1.01 -1.15 -5.01 121.20 115.94 3iu2 s ILE 276 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3iu2 s ILE 276 Cb 0.00 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3iu2 s ILE 276 CO 0.00 0.54 0.73 0.49 0.00 0.00 0.00 174.94 176.70 3iu2 n PHE 277 N 3.46 0.00 -4.17 3.97 3.72 -1.26 -3.66 117.46 119.52 3iu2 n PHE 277 Ca -0.18 -0.26 -0.17 0.00 -0.05 0.00 0.00 57.45 56.79 3iu2 n PHE 277 Cb 0.53 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 3iu2 n PHE 277 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iu2 s GLN 278 N -0.53 0.82 0.05 -1.08 1.11 -1.26 -4.68 119.66 114.10 3iu2 s GLN 278 Ca 0.00 -1.02 -0.07 0.00 0.01 0.00 0.00 55.36 54.27 3iu2 s GLN 278 Cb 0.00 -0.70 -0.01 0.00 -1.01 0.00 0.00 33.01 31.29 3iu2 s GLN 278 CO 0.00 0.14 0.14 0.00 0.01 0.00 0.00 175.29 175.59 3iu2 s ALA 279 N -1.70 -0.16 0.05 6.09 0.00 -1.15 -2.56 121.76 122.34 3iu2 s ALA 279 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 51.96 51.51 3iu2 s ALA 279 Cb -0.07 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3iu2 s ALA 279 CO 0.02 -0.39 -0.24 0.54 0.00 0.00 0.00 175.76 175.69 3iu2 s VAL 280 N -3.08 1.92 0.13 0.00 0.11 -0.21 -0.40 120.40 118.87 3iu2 s VAL 280 Ca -0.01 -1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 57.47 3iu2 s VAL 280 Cb 0.01 -1.66 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 3iu2 s VAL 280 CO -0.07 0.26 0.60 -0.72 -3.33 0.00 0.00 175.10 171.85 3iu2 s TYR 281 N -0.83 -0.55 0.17 1.54 -0.85 -0.99 -2.08 117.35 113.77 3iu2 s TYR 281 Ca 0.10 0.44 0.09 0.00 -0.52 0.00 0.00 57.07 57.18 3iu2 s TYR 281 Cb -0.09 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3iu2 s TYR 281 CO 0.02 -0.81 -0.19 0.95 -1.52 0.00 0.00 175.55 174.00 3iu2 s THR 282 N -3.34 1.92 -0.05 -3.49 -4.23 -1.26 -0.81 115.64 104.39 3iu2 s THR 282 Ca -0.01 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 58.33 3iu2 s THR 282 Cb -0.01 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 71.98 3iu2 s THR 282 CO -0.09 -0.28 0.51 0.00 -0.54 0.00 0.00 174.62 174.21 3iu2 s ALA 283 N -1.99 -1.31 -2.06 3.99 0.00 -0.74 -4.99 121.76 114.66 3iu2 s ALA 283 Ca 0.17 0.92 0.15 0.00 0.00 0.00 0.00 51.96 53.20 3iu2 s ALA 283 Cb -0.06 -0.06 0.78 0.00 0.00 0.00 0.00 23.12 23.78 3iu2 s ALA 283 CO 0.07 -0.31 1.52 0.41 0.00 0.00 0.00 175.76 177.45 3iu2 n GLY 284 N 1.25 -0.58 3.52 0.00 0.00 -1.26 -0.94 105.19 107.18 3iu2 n GLY 284 Ca -0.20 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 3iu2 n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iu2 s VAL 285 N -1.92 2.94 -0.32 1.61 -7.23 -1.26 -4.64 120.40 109.58 3iu2 s VAL 285 Ca 0.24 -1.64 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 3iu2 s VAL 285 Cb 0.12 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.66 3iu2 s VAL 285 CO 0.18 -0.02 0.91 -0.69 -0.31 0.00 0.00 175.10 175.18 3iu2 s VAL 286 N -1.46 4.66 0.23 1.32 1.01 -1.26 -4.80 120.40 120.10 3iu2 s VAL 286 Ca 0.21 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.63 3iu2 s VAL 286 Cb -0.09 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3iu2 s VAL 286 CO 0.12 -0.38 -0.07 -0.76 0.00 0.00 0.00 175.10 174.01 3iu2 s LEU 287 N 3.29 2.43 -0.04 3.92 1.43 -1.26 -5.11 118.68 123.34 3iu2 s LEU 287 Ca 0.38 -1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 3iu2 s LEU 287 Cb -0.13 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 3iu2 s LEU 287 CO 0.15 -0.34 1.38 -2.84 0.23 0.00 0.00 176.35 174.92 3iu2 s PRO 288 N -3.74 4.27 -0.04 1.29 0.02 -1.26 -3.62 135.00 131.91 3iu2 s PRO 288 Ca 0.26 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3iu2 s PRO 288 Cb 0.03 -3.65 0.03 0.00 0.02 0.00 0.00 34.50 30.93 3iu2 s PRO 288 CO 0.09 -0.61 0.09 0.21 -0.33 0.00 0.00 177.00 176.45 3iu2 s LYS 289 N 2.73 0.04 0.35 5.54 2.20 -1.25 -4.75 119.74 124.61 3iu2 s LYS 289 Ca 0.62 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 3iu2 s LYS 289 Cb -0.29 -0.17 -0.11 0.00 -1.51 0.00 0.00 37.83 35.75 3iu2 s LYS 289 CO 0.24 -0.14 1.50 -2.14 -0.36 0.00 0.00 175.35 174.46 3iu2 s PRO 290 N 0.94 4.13 0.08 4.03 0.02 -1.24 -4.69 135.00 138.26 3iu2 s PRO 290 Ca -0.07 2.55 0.23 0.00 0.02 0.00 0.00 61.00 63.73 3iu2 s PRO 290 Cb -0.10 -2.99 0.16 0.00 0.02 0.00 0.00 34.50 31.59 3iu2 s PRO 290 CO -0.04 -0.54 1.14 1.33 -0.33 0.00 0.00 177.00 178.56 3iu2 n VAL 291 N 0.91 0.25 -3.57 3.83 0.24 0.19 -4.83 118.33 115.35 3iu2 n VAL 291 Ca 0.03 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 3iu2 n VAL 291 Cb 0.39 0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.76 3iu2 n VAL 291 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iu2 s GLY 292 N -3.68 -0.39 -0.11 7.63 0.00 -1.22 -0.38 107.32 109.18 3iu2 s GLY 292 Ca 0.04 1.89 -0.00 0.00 0.00 0.00 0.00 44.72 46.65 3iu2 s GLY 292 CO 0.77 1.22 -0.08 -1.59 0.00 0.00 0.00 173.10 173.42 3iu2 s THR 293 N -0.75 1.03 0.24 0.90 2.01 -1.26 -0.71 115.64 117.09 3iu2 s THR 293 Ca -0.04 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.75 3iu2 s THR 293 Cb -0.02 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3iu2 s THR 293 CO 0.03 0.37 -0.04 0.00 -0.69 0.00 0.00 174.62 174.28 3iu2 s ARG 295 N -3.37 2.19 0.04 0.00 1.81 -1.26 -0.67 118.95 117.68 3iu2 s ARG 295 Ca 0.29 -0.90 -0.30 0.00 -1.72 0.00 0.00 55.73 53.10 3iu2 s ARG 295 Cb -0.07 -2.22 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 3iu2 s ARG 295 CO 0.18 0.56 0.96 -0.47 -0.68 0.00 0.00 175.30 175.86 3iu2 s TYR 296 N -0.84 3.71 0.07 -0.53 6.14 -1.26 -2.34 117.35 122.30 3iu2 s TYR 296 Ca 0.13 1.72 0.07 0.00 0.64 0.00 0.00 57.07 59.63 3iu2 s TYR 296 Cb -0.10 -3.09 -0.03 0.00 0.42 0.00 0.00 41.96 39.16 3iu2 s TYR 296 CO 0.03 0.07 -0.19 -1.58 0.64 0.00 0.00 175.55 174.53 3iu2 s TRP 297 N 0.63 1.64 -0.02 4.97 0.52 -0.06 -0.17 118.94 126.46 3iu2 s TRP 297 Ca 0.50 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.27 3iu2 s TRP 297 Cb -0.22 -0.94 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 3iu2 s TRP 297 CO 0.28 0.12 -0.16 -1.01 0.02 0.00 0.00 176.95 176.20 3iu2 s HIS 298 N -0.99 1.49 -0.30 -1.98 3.76 0.07 -1.59 115.29 115.75 3iu2 s HIS 298 Ca 0.05 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.62 3iu2 s HIS 298 Cb -0.09 -0.97 0.05 0.00 1.11 0.00 0.00 32.58 32.67 3iu2 s HIS 298 CO 0.03 -0.07 -0.01 0.50 -0.85 0.00 0.00 174.74 174.34 3iu2 s ARG 299 N -0.24 2.44 0.15 1.40 3.00 0.57 -0.62 118.95 125.65 3iu2 s ARG 299 Ca 0.03 -1.26 -0.31 0.00 -1.00 0.00 0.00 55.73 53.19 3iu2 s ARG 299 Cb -0.08 -3.16 -0.10 0.00 0.00 0.00 0.00 34.95 31.61 3iu2 s ARG 299 CO 0.00 -0.61 1.70 -1.12 0.00 0.00 0.00 175.30 175.28 3iu2 s SER 300 N 1.25 6.48 -0.11 -2.12 0.01 -1.26 -1.39 113.70 116.56 3iu2 s SER 300 Ca -0.05 2.71 0.03 0.00 1.31 0.00 0.00 55.95 59.95 3iu2 s SER 300 Cb -0.20 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 3iu2 s SER 300 CO -0.01 -0.93 -0.07 0.18 0.41 0.00 0.00 173.24 172.82 3iu2 n LEU 301 N 4.73 2.10 -3.44 2.44 4.77 -0.48 -4.80 117.00 122.31 3iu2 n LEU 301 Ca 0.16 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 3iu2 n LEU 301 Cb 0.38 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3iu2 n LEU 301 CO 0.64 0.56 0.01 -3.20 -1.33 0.00 0.00 177.39 174.07 3iu2 n ASN 302 N -2.70 3.16 0.11 -1.43 2.85 -0.52 -4.96 115.26 111.78 3iu2 n ASN 302 Ca -0.20 -3.31 0.05 0.00 -0.11 0.00 0.00 54.58 51.02 3iu2 n ASN 302 Cb 0.75 -0.67 0.49 0.00 1.24 0.00 0.00 39.78 41.59 3iu2 n ASN 302 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iu2 h PRO 303 N 4.31 0.29 -0.52 1.20 0.13 -1.87 -2.11 132.00 133.44 3iu2 h PRO 303 Ca 0.18 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3iu2 h PRO 303 Cb 0.70 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 3iu2 h PRO 303 CO 0.77 0.24 0.30 -0.09 -0.23 0.00 0.00 178.00 178.99 3iu2 h ARG 304 N 0.30 0.70 -0.32 0.86 2.43 -1.95 -0.97 114.38 115.43 3iu2 h ARG 304 Ca 0.08 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3iu2 h ARG 304 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3iu2 h ARG 304 CO -0.01 0.52 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.54 3iu2 h LYS 305 N 0.69 0.72 -0.76 0.20 3.64 -1.85 -2.29 116.57 116.91 3iu2 h LYS 305 Ca 0.18 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3iu2 h LYS 305 Cb 0.01 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3iu2 h LYS 305 CO -0.03 0.95 0.47 -0.07 -2.27 0.00 0.00 179.45 178.50 3iu2 h LEU 306 N 0.48 0.90 -0.11 5.20 3.38 -1.17 -1.29 115.31 122.70 3iu2 h LEU 306 Ca 0.06 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3iu2 h LEU 306 Cb 0.77 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iu2 h LEU 306 CO 0.06 0.68 -0.55 0.40 0.09 0.00 0.00 178.44 179.12 3iu2 h ILE 307 N 1.04 1.35 -0.65 1.22 2.04 -1.20 -0.27 117.51 121.04 3iu2 h ILE 307 Ca 0.28 -1.85 0.02 0.00 1.00 0.00 0.00 64.86 64.31 3iu2 h ILE 307 Cb -0.06 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3iu2 h ILE 307 CO -0.05 0.56 0.41 -0.08 0.00 0.00 0.00 178.15 178.99 3iu2 h GLU 308 N 0.19 0.79 -0.01 2.37 4.81 -1.06 -1.69 114.58 119.98 3iu2 h GLU 308 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3iu2 h GLU 308 Cb 1.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3iu2 h GLU 308 CO 0.11 0.52 -0.06 1.33 -0.73 0.00 0.00 179.01 180.19 3iu2 n VAL 309 N -4.68 0.00 -1.52 0.32 0.24 -0.52 -4.94 118.33 107.23 3iu2 n VAL 309 Ca 0.06 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 3iu2 n VAL 309 Cb 0.07 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 3iu2 n VAL 309 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iu2 n LYS 310 N -0.66 -0.65 -0.23 7.34 5.02 -0.64 -4.91 118.16 123.44 3iu2 n LYS 310 Ca 0.18 0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 57.10 3iu2 n LYS 310 Cb 0.26 -4.62 0.04 0.00 -0.02 0.00 0.00 35.03 30.69 3iu2 n LYS 310 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3iu2 h PHE 311 N 0.00 1.01 -2.50 2.13 3.57 -1.33 -3.45 116.94 116.36 3iu2 h PHE 311 Ca -0.19 -0.08 -0.52 0.00 3.53 0.00 0.00 57.97 60.71 3iu2 h PHE 311 Cb 0.75 -0.30 -0.14 0.00 2.79 0.00 0.00 35.95 39.05 3iu2 h PHE 311 CO 0.25 0.80 -0.58 -1.54 -2.23 0.00 0.00 178.31 175.00 3iu2 s SER 312 N -6.20 2.74 0.08 0.41 1.04 -0.74 -5.01 113.70 106.03 3iu2 s SER 312 Ca -0.13 -1.45 0.06 0.00 0.48 0.00 0.00 55.95 54.92 3iu2 s SER 312 Cb 0.14 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 3iu2 s SER 312 CO 0.81 -0.66 -0.16 -1.38 0.98 0.00 0.00 173.24 172.83 3iu2 s HIS 313 N -3.19 1.40 0.19 5.02 -3.43 -1.26 -4.13 115.29 109.89 3iu2 s HIS 313 Ca 0.32 -0.45 -0.31 0.00 -0.80 0.00 0.00 55.06 53.82 3iu2 s HIS 313 Cb 0.07 -0.78 -0.09 0.00 -1.43 0.00 0.00 32.58 30.36 3iu2 s HIS 313 CO 0.15 0.11 1.42 -1.17 -2.00 0.00 0.00 174.74 173.25 3iu2 s LEU 314 N -1.84 4.39 0.49 5.38 2.96 -1.26 -5.00 118.68 123.80 3iu2 s LEU 314 Ca 0.01 2.51 -0.23 0.00 -0.22 0.00 0.00 54.13 56.19 3iu2 s LEU 314 Cb -0.10 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3iu2 s LEU 314 CO 0.03 -0.67 1.31 -0.55 -1.32 0.00 0.00 176.35 175.15 3iu2 s SER 315 N 0.70 5.76 0.44 3.68 0.15 -1.26 -4.92 113.70 118.25 3iu2 s SER 315 Ca 0.62 2.66 0.19 0.00 0.70 0.00 0.00 55.95 60.13 3iu2 s SER 315 Cb -0.40 -2.63 1.01 0.00 -1.71 0.00 0.00 66.02 62.29 3iu2 s SER 315 CO 0.36 -1.23 1.92 0.03 1.20 0.00 0.00 173.24 175.52 3iu2 h ARG 316 N 1.95 0.00 -0.16 5.44 3.08 -2.01 -3.04 114.38 119.65 3iu2 h ARG 316 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3iu2 h ARG 316 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3iu2 h ARG 316 CO 0.59 0.26 0.00 0.09 -1.07 0.00 0.00 179.97 179.84 3iu2 n ASN 317 N -3.84 2.55 -4.00 7.04 5.03 -1.26 -4.90 115.26 115.88 3iu2 n ASN 317 Ca -0.02 -1.84 -0.20 0.00 0.87 0.00 0.00 54.58 53.40 3iu2 n ASN 317 Cb 0.35 -0.09 -0.15 0.00 -1.02 0.00 0.00 39.78 38.86 3iu2 n ASN 317 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3iu2 s MET 318 N -1.81 0.93 0.70 3.52 -1.94 -1.15 -5.13 119.30 114.42 3iu2 s MET 318 Ca 0.34 -0.29 -0.11 0.00 -1.71 0.00 0.00 55.69 53.91 3iu2 s MET 318 Cb 0.20 -0.87 0.01 0.00 2.01 0.00 0.00 34.83 36.19 3iu2 s MET 318 CO 0.30 0.11 1.09 0.95 -0.01 0.00 0.00 175.02 177.46 3iu2 s THR 319 N 0.20 3.57 0.20 2.05 -4.23 -1.26 -4.28 115.64 111.89 3iu2 s THR 319 Ca -0.03 0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 3iu2 s THR 319 Cb -0.08 -3.48 0.14 0.00 1.34 0.00 0.00 72.50 70.41 3iu2 s THR 319 CO 0.00 -0.66 1.87 -0.03 -0.54 0.00 0.00 174.62 175.26 3iu2 h MET 320 N -0.66 0.93 -0.63 3.99 4.05 -1.99 -0.08 114.93 120.55 3iu2 h MET 320 Ca -0.45 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 58.98 3iu2 h MET 320 Cb 1.25 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.78 3iu2 h MET 320 CO 0.63 0.62 0.32 0.37 0.23 0.00 0.00 176.91 179.08 3iu2 h GLN 321 N 0.96 0.56 -0.60 0.39 4.15 -2.00 -0.36 115.11 118.22 3iu2 h GLN 321 Ca 0.26 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 3iu2 h GLN 321 Cb -0.10 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 3iu2 h GLN 321 CO -0.06 0.37 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.10 3iu2 h ARG 322 N 0.58 1.07 -0.42 1.69 9.65 -1.83 -2.51 114.38 122.60 3iu2 h ARG 322 Ca 0.29 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3iu2 h ARG 322 Cb 0.24 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 3iu2 h ARG 322 CO -0.21 1.05 0.23 1.15 2.80 0.00 0.00 179.97 184.98 3iu2 h THR 323 N 0.97 1.16 -0.64 0.20 2.02 -0.36 0.63 112.91 116.88 3iu2 h THR 323 Ca 0.17 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3iu2 h THR 323 Cb 0.58 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3iu2 h THR 323 CO 0.03 0.17 0.26 0.24 0.37 0.00 0.00 175.52 176.59 3iu2 h MET 324 N 0.55 0.93 -0.28 6.66 2.86 -1.07 -2.51 114.93 122.07 3iu2 h MET 324 Ca 0.15 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3iu2 h MET 324 Cb 0.06 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3iu2 h MET 324 CO -0.02 0.76 0.07 -0.22 1.06 0.00 0.00 176.91 178.56 3iu2 h LYS 325 N 0.92 0.44 -0.60 1.72 3.64 -1.04 -2.09 116.57 119.56 3iu2 h LYS 325 Ca 0.22 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3iu2 h LYS 325 Cb 0.17 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 3iu2 h LYS 325 CO -0.02 0.52 0.23 1.25 -2.27 0.00 0.00 179.45 179.17 3iu2 h LEU 326 N 0.28 0.25 -0.82 5.20 5.85 -0.62 -2.90 115.31 122.55 3iu2 h LEU 326 Ca 0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3iu2 h LEU 326 Cb 0.28 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3iu2 h LEU 326 CO 0.00 0.15 -0.17 -1.22 -0.34 0.00 0.00 178.44 176.86 3iu2 n TYR 327 N -4.98 0.00 -1.91 1.25 4.01 -0.97 -4.95 117.16 109.60 3iu2 n TYR 327 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 3iu2 n TYR 327 Cb 0.26 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 3iu2 n TYR 327 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3iu2 s ARG 328 N -2.29 4.20 0.24 -0.72 3.52 -0.79 -4.89 118.95 118.22 3iu2 s ARG 328 Ca 0.29 2.44 0.12 0.00 -0.13 0.00 0.00 55.73 58.44 3iu2 s ARG 328 Cb 0.20 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 3iu2 s ARG 328 CO 0.45 -0.43 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.79 3iu2 s LEU 329 N -1.65 2.57 0.85 -0.88 1.43 -1.26 -5.06 118.68 114.68 3iu2 s LEU 329 Ca 0.53 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 3iu2 s LEU 329 Cb -0.44 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 44.68 3iu2 s LEU 329 CO 0.56 0.07 0.96 -2.65 0.23 0.00 0.00 176.35 175.53 3iu2 n PRO 330 N -0.28 -0.02 0.13 1.29 -0.02 -1.26 -4.94 135.00 129.90 3iu2 n PRO 330 Ca -0.08 0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3iu2 n PRO 330 Cb 0.58 -2.24 0.10 0.00 -0.02 0.00 0.00 33.50 31.92 3iu2 n PRO 330 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iu2 h GLU 331 N -1.17 0.00 -4.29 -0.52 5.08 -2.00 -3.46 114.58 108.21 3iu2 h GLU 331 Ca -0.45 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.71 3iu2 h GLU 331 Cb 1.30 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.35 3iu2 h GLU 331 CO 0.42 0.64 -0.71 0.95 -1.00 0.00 0.00 179.01 179.31 3iu2 s THR 332 N -3.23 0.34 0.65 1.13 -4.23 -1.26 -4.93 115.64 104.11 3iu2 s THR 332 Ca 0.01 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 3iu2 s THR 332 Cb 0.10 -0.73 -0.00 0.00 1.34 0.00 0.00 72.50 73.21 3iu2 s THR 332 CO 0.76 -0.58 1.19 -2.16 -0.54 0.00 0.00 174.62 173.29 3iu2 s PRO 333 N -2.15 2.65 -0.02 3.99 0.04 -1.26 -4.99 135.00 133.26 3iu2 s PRO 333 Ca -0.07 1.73 0.20 0.00 0.04 0.00 0.00 61.00 62.90 3iu2 s PRO 333 Cb -0.05 -1.90 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 3iu2 s PRO 333 CO -0.02 -1.44 0.53 0.36 0.04 0.00 0.00 177.00 176.47 3iu2 n LYS 334 N -2.13 0.65 -2.09 4.56 2.85 -1.26 -4.95 118.16 115.80 3iu2 n LYS 334 Ca 0.13 -0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.92 3iu2 n LYS 334 Cb 0.50 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.25 3iu2 n LYS 334 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3iu2 s THR 335 N -3.20 3.34 0.11 0.58 2.01 -1.26 -4.92 115.64 112.29 3iu2 s THR 335 Ca -0.07 0.80 -0.31 0.00 0.31 0.00 0.00 61.69 62.43 3iu2 s THR 335 Cb 0.11 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 3iu2 s THR 335 CO 0.86 0.01 1.85 0.00 -0.69 0.00 0.00 174.62 176.66 3iu2 s ALA 336 N 2.25 3.74 0.00 7.40 0.00 -1.26 -3.04 121.76 130.85 3iu2 s ALA 336 Ca 0.68 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.08 3iu2 s ALA 336 Cb -0.36 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 18.98 3iu2 s ALA 336 CO 0.29 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3iu2 n GLY 337 N 4.29 0.59 3.74 0.00 0.00 -1.26 -4.65 105.19 107.89 3iu2 n GLY 337 Ca 0.18 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3iu2 n GLY 337 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu2 s LEU 338 N 0.00 4.40 0.16 0.99 2.96 -1.17 -1.51 118.68 124.51 3iu2 s LEU 338 Ca 0.00 2.52 -0.22 0.00 -0.22 0.00 0.00 54.13 56.21 3iu2 s LEU 338 Cb 0.00 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.14 3iu2 s LEU 338 CO 0.00 -0.61 0.59 0.00 -1.32 0.00 0.00 176.35 175.00 3iu2 s ARG 339 N -0.18 1.27 0.51 1.98 1.70 -0.57 -4.97 118.95 118.69 3iu2 s ARG 339 Ca 0.58 -0.50 -0.22 0.00 -0.47 0.00 0.00 55.73 55.13 3iu2 s ARG 339 Cb -0.39 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 3iu2 s ARG 339 CO 0.40 -0.55 1.25 -2.14 -1.08 0.00 0.00 175.30 173.17 3iu2 s PRO 340 N -3.76 3.44 0.35 3.89 0.02 -1.26 -0.38 135.00 137.30 3iu2 s PRO 340 Ca 0.01 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.71 3iu2 s PRO 340 Cb -0.01 -2.30 -0.12 0.00 0.02 0.00 0.00 34.50 32.09 3iu2 s PRO 340 CO -0.13 -0.86 1.40 -0.12 -0.33 0.00 0.00 177.00 176.96 3iu2 n MET 341 N -0.80 2.41 -4.54 5.54 0.00 -0.21 -4.70 117.12 114.82 3iu2 n MET 341 Ca 0.09 0.85 -0.25 0.00 -0.00 0.00 0.00 57.70 58.39 3iu2 n MET 341 Cb 0.47 -2.51 -0.10 0.00 0.00 0.00 0.00 33.22 31.07 3iu2 n MET 341 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3iu2 s GLU 342 N -1.82 1.82 0.24 2.12 2.02 -1.26 -4.62 118.70 117.20 3iu2 s GLU 342 Ca 0.56 -2.04 -0.05 0.00 0.02 0.00 0.00 54.97 53.46 3iu2 s GLU 342 Cb -0.53 -1.21 0.41 0.00 0.10 0.00 0.00 34.13 32.90 3iu2 s GLU 342 CO 0.61 -0.15 1.76 1.15 0.02 0.00 0.00 175.26 178.65 3iu2 h THR 343 N 1.91 0.76 0.00 3.63 2.02 -2.03 -0.15 112.91 119.05 3iu2 h THR 343 Ca -0.42 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3iu2 h THR 343 Cb 1.25 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3iu2 h THR 343 CO 0.74 0.10 0.00 0.07 0.37 0.00 0.00 175.52 176.80 3iu2 h LYS 344 N 0.55 0.00 0.00 6.66 2.10 -2.02 -2.29 116.57 121.58 3iu2 h LYS 344 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3iu2 h LYS 344 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3iu2 h LYS 344 CO -0.33 0.00 -0.38 -0.25 -2.00 0.00 0.00 179.45 176.49 3iu2 n ASP 345 N -2.64 0.40 -0.12 7.07 8.00 -0.07 -4.45 116.55 124.74 3iu2 n ASP 345 Ca -0.02 -0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.42 3iu2 n ASP 345 Cb 0.05 0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3iu2 n ASP 345 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iu2 h ILE 346 N 0.00 0.67 -0.11 0.53 2.04 -1.48 -1.16 117.51 118.00 3iu2 h ILE 346 Ca 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3iu2 h ILE 346 Cb 0.53 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3iu2 h ILE 346 CO 0.00 0.01 0.04 -0.65 0.00 0.00 0.00 178.15 177.55 3iu2 h PRO 347 N 0.07 0.16 -0.42 2.37 0.11 -1.83 -1.76 132.00 130.70 3iu2 h PRO 347 Ca 0.19 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3iu2 h PRO 347 Cb 0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3iu2 h PRO 347 CO -0.35 0.30 0.07 -0.24 -0.21 0.00 0.00 178.00 177.57 3iu2 h VAL 348 N -0.01 1.20 -0.70 3.15 3.04 -1.80 -0.11 116.25 121.02 3iu2 h VAL 348 Ca 0.03 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 3iu2 h VAL 348 Cb 0.20 0.81 -0.03 0.00 -2.01 0.00 0.00 31.29 30.26 3iu2 h VAL 348 CO -0.00 0.27 0.35 0.58 -1.01 0.00 0.00 177.57 177.76 3iu2 h VAL 349 N 0.62 1.23 -0.38 1.51 2.07 -1.11 0.15 116.25 120.33 3iu2 h VAL 349 Ca 0.14 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3iu2 h VAL 349 Cb 0.29 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3iu2 h VAL 349 CO 0.00 0.26 0.18 -0.74 0.02 0.00 0.00 177.57 177.30 3iu2 h HIS 350 N 0.98 0.55 -0.31 1.57 6.17 -0.43 -1.29 115.15 122.38 3iu2 h HIS 350 Ca 0.24 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.29 3iu2 h HIS 350 Cb 0.09 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.84 3iu2 h HIS 350 CO 0.00 0.46 0.16 0.37 0.71 0.00 0.00 177.93 179.63 3iu2 h GLN 351 N 0.47 0.45 -0.08 5.26 4.15 -0.73 -1.22 115.11 123.41 3iu2 h GLN 351 Ca 0.13 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3iu2 h GLN 351 Cb 0.12 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3iu2 h GLN 351 CO -0.02 0.40 0.05 -0.07 -1.93 0.00 0.00 178.83 177.26 3iu2 h LEU 352 N 0.38 0.09 -0.24 -2.39 3.38 -0.60 -2.59 115.31 113.34 3iu2 h LEU 352 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iu2 h LEU 352 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3iu2 h LEU 352 CO -0.02 0.12 0.11 0.25 0.09 0.00 0.00 178.44 178.99 3iu2 h LEU 353 N 0.06 0.32 -0.33 1.67 5.85 -1.15 -1.26 115.31 120.47 3iu2 h LEU 353 Ca 0.03 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3iu2 h LEU 353 Cb 0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3iu2 h LEU 353 CO -0.01 0.37 0.12 0.74 -0.34 0.00 0.00 178.44 179.32 3iu2 h THR 354 N 0.26 0.91 -0.52 1.05 2.02 -1.20 -1.07 112.91 114.36 3iu2 h THR 354 Ca 0.08 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3iu2 h THR 354 Cb 0.14 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3iu2 h THR 354 CO -0.01 0.05 0.08 0.03 0.37 0.00 0.00 175.52 176.04 3iu2 h ARG 355 N 0.26 0.85 -0.77 6.66 3.08 -1.37 -3.19 114.38 119.90 3iu2 h ARG 355 Ca 0.15 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3iu2 h ARG 355 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3iu2 h ARG 355 CO -0.15 0.84 0.29 -0.92 -1.07 0.00 0.00 179.97 178.96 3iu2 h TYR 356 N 0.73 1.20 0.00 3.04 3.20 -0.79 -3.10 116.97 121.25 3iu2 h TYR 356 Ca 0.16 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3iu2 h TYR 356 Cb 0.40 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3iu2 h TYR 356 CO 0.03 0.92 0.00 -0.07 -1.64 0.00 0.00 178.16 177.40 3iu2 h LEU 357 N 1.13 0.00 -2.00 2.82 3.38 -1.19 -3.27 115.31 116.18 3iu2 h LEU 357 Ca 0.25 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.35 3iu2 h LEU 357 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3iu2 h LEU 357 CO -0.02 0.00 0.31 0.11 0.09 0.00 0.00 178.44 178.94 3iu2 h LYS 358 N 0.00 0.00 0.00 1.13 1.79 -1.60 -2.32 116.57 115.57 3iu2 h LYS 358 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3iu2 h LYS 358 Cb 0.48 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3iu2 h LYS 358 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 3iu2 n GLN 359 N -4.41 0.17 -3.25 3.15 10.64 -1.23 -4.82 117.38 117.63 3iu2 n GLN 359 Ca 0.07 0.35 -0.18 0.00 -1.83 0.00 0.00 57.00 55.41 3iu2 n GLN 359 Cb 0.51 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 3iu2 n GLN 359 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iu2 s PHE 360 N -3.22 2.99 -0.49 2.61 0.08 -0.87 -5.01 117.98 114.06 3iu2 s PHE 360 Ca 0.06 -0.28 0.20 0.00 0.12 0.00 0.00 56.93 57.03 3iu2 s PHE 360 Cb 0.10 -2.17 -0.26 0.00 -0.57 0.00 0.00 43.02 40.12 3iu2 s PHE 360 CO 0.42 -0.20 0.64 0.72 -0.10 0.00 0.00 175.22 176.70 3iu2 n HIS 361 N -1.75 0.00 -3.73 0.36 8.25 0.31 -4.80 115.22 113.86 3iu2 n HIS 361 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 3iu2 n HIS 361 Cb 0.58 -0.22 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 3iu2 n HIS 361 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iu2 s LEU 362 N -3.64 1.42 0.05 2.41 2.96 -1.17 -0.69 118.68 120.02 3iu2 s LEU 362 Ca 0.00 -1.03 -0.01 0.00 -0.22 0.00 0.00 54.13 52.87 3iu2 s LEU 362 Cb 0.14 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3iu2 s LEU 362 CO 0.82 -0.33 -0.02 0.42 -1.32 0.00 0.00 176.35 175.91 3iu2 s THR 363 N 1.80 0.20 0.42 3.68 -4.23 -0.53 0.05 115.64 117.03 3iu2 s THR 363 Ca 0.01 -1.67 -0.16 0.00 -1.18 0.00 0.00 61.69 58.70 3iu2 s THR 363 Cb -0.17 -1.35 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 3iu2 s THR 363 CO -0.13 -0.92 0.85 -2.16 -0.54 0.00 0.00 174.62 171.72 3iu2 s PRO 364 N -3.59 3.98 -0.42 3.99 0.04 -1.26 -0.88 135.00 136.86 3iu2 s PRO 364 Ca 0.04 0.79 -0.05 0.00 0.04 0.00 0.00 61.00 61.82 3iu2 s PRO 364 Cb 0.06 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 32.41 3iu2 s PRO 364 CO -0.09 -0.04 0.23 0.08 0.04 0.00 0.00 177.00 177.22 3iu2 s VAL 365 N -2.29 3.55 -0.13 -0.36 1.01 0.24 -4.80 120.40 117.62 3iu2 s VAL 365 Ca 0.56 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 3iu2 s VAL 365 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3iu2 s VAL 365 CO 0.23 -0.67 0.24 -0.04 0.00 0.00 0.00 175.10 174.87 3iu2 s MET 366 N 1.22 3.99 0.98 2.72 -1.94 -1.26 -4.37 119.30 120.64 3iu2 s MET 366 Ca 0.07 0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.95 3iu2 s MET 366 Cb -0.23 -3.34 0.18 0.00 2.01 0.00 0.00 34.83 33.45 3iu2 s MET 366 CO -0.03 0.45 1.09 -1.54 -0.01 0.00 0.00 175.02 174.99 3iu2 s SER 367 N -0.15 2.75 0.27 3.03 1.04 -1.26 -4.87 113.70 114.52 3iu2 s SER 367 Ca 0.15 1.22 -0.00 0.00 0.48 0.00 0.00 55.95 57.80 3iu2 s SER 367 Cb -0.13 -1.88 0.38 0.00 0.10 0.00 0.00 66.02 64.49 3iu2 s SER 367 CO 0.04 -3.06 1.75 -0.61 0.98 0.00 0.00 173.24 172.35 3iu2 h GLN 368 N -1.84 0.67 -0.83 4.02 4.15 -1.98 -1.34 115.11 117.96 3iu2 h GLN 368 Ca -0.54 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 58.66 3iu2 h GLN 368 Cb 1.32 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 3iu2 h GLN 368 CO 0.57 0.75 0.42 0.93 -1.93 0.00 0.00 178.83 179.57 3iu2 h GLU 369 N 0.62 1.17 -0.53 1.69 4.39 -1.99 -1.56 114.58 118.37 3iu2 h GLU 369 Ca 0.11 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 3iu2 h GLU 369 Cb 0.52 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3iu2 h GLU 369 CO 0.03 0.88 -0.06 0.93 -1.16 0.00 0.00 179.01 179.64 3iu2 h GLU 370 N 1.17 0.98 -0.66 2.33 5.08 -1.83 -2.42 114.58 119.23 3iu2 h GLU 370 Ca 0.29 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iu2 h GLU 370 Cb 0.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3iu2 h GLU 370 CO -0.04 1.01 0.34 0.28 -1.00 0.00 0.00 179.01 179.60 3iu2 h VAL 371 N 0.85 1.22 -0.29 3.13 2.07 -0.97 -0.05 116.25 122.21 3iu2 h VAL 371 Ca 0.14 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3iu2 h VAL 371 Cb 0.61 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3iu2 h VAL 371 CO 0.04 0.25 0.02 -0.08 0.02 0.00 0.00 177.57 177.82 3iu2 h GLU 372 N 0.91 0.11 -0.01 1.57 4.81 -1.20 -0.95 114.58 119.81 3iu2 h GLU 372 Ca 0.23 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3iu2 h GLU 372 Cb 0.08 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3iu2 h GLU 372 CO -0.03 0.07 0.01 1.25 -0.73 0.00 0.00 179.01 179.58 3iu2 h HIS 373 N 0.11 0.02 0.00 0.92 2.76 -0.90 -1.75 115.15 116.31 3iu2 h HIS 373 Ca 0.14 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3iu2 h HIS 373 Cb 0.17 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3iu2 h HIS 373 CO -0.20 0.05 -0.30 -1.49 -1.30 0.00 0.00 177.93 174.69 3iu2 h TRP 374 N -0.02 0.00 0.00 5.26 -0.00 -0.87 -3.39 115.95 116.94 3iu2 h TRP 374 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 3iu2 h TRP 374 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 3iu2 h TRP 374 CO -0.07 0.30 -1.15 1.19 -0.00 0.00 0.00 178.44 178.71 3iu2 n PHE 375 N -3.24 0.00 -1.68 0.49 3.72 -0.38 -5.00 117.46 111.38 3iu2 n PHE 375 Ca 0.02 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.96 3iu2 n PHE 375 Cb 0.59 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 3iu2 n PHE 375 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iu2 n TYR 376 N -1.99 2.35 -1.87 1.38 9.36 -0.66 -4.31 117.16 121.42 3iu2 n TYR 376 Ca -0.03 0.09 -0.41 0.00 3.32 0.00 0.00 57.90 60.87 3iu2 n TYR 376 Cb 0.48 -2.62 -0.01 0.00 -0.63 0.00 0.00 39.34 36.55 3iu2 n TYR 376 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3iu2 s PRO 377 N 2.42 4.17 -0.08 2.98 0.02 -1.26 -4.90 135.00 138.35 3iu2 s PRO 377 Ca 0.85 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 64.33 3iu2 s PRO 377 Cb -0.65 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 30.87 3iu2 s PRO 377 CO 0.43 -0.51 -0.00 -0.65 -0.33 0.00 0.00 177.00 175.94 3iu2 s GLN 378 N -1.16 0.66 0.34 5.54 -0.21 -0.30 -5.00 119.66 119.53 3iu2 s GLN 378 Ca 0.57 0.07 -0.28 0.00 0.02 0.00 0.00 55.36 55.74 3iu2 s GLN 378 Cb -0.45 -1.06 -0.12 0.00 1.00 0.00 0.00 33.01 32.38 3iu2 s GLN 378 CO 0.53 -0.32 1.37 -0.85 -2.12 0.00 0.00 175.29 173.90 3iu2 n GLU 379 N 5.13 2.32 -1.31 2.91 0.28 -1.26 -1.35 120.64 127.36 3iu2 n GLU 379 Ca -0.07 0.81 -0.11 0.00 -0.16 0.00 0.00 57.16 57.63 3iu2 n GLU 379 Cb 0.50 -2.45 -0.05 0.00 1.43 0.00 0.00 31.44 30.87 3iu2 n GLU 379 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3iu2 n ASN 380 N 0.84 -5.29 0.08 -1.84 3.02 -1.26 -4.74 115.26 106.07 3iu2 n ASN 380 Ca 0.04 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3iu2 n ASN 380 Cb 0.37 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3iu2 n ASN 380 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iu2 n ILE 381 N -2.35 0.45 -3.75 2.41 5.41 -0.45 -4.69 119.36 116.38 3iu2 n ILE 381 Ca -0.11 0.15 -0.14 0.00 1.00 0.00 0.00 62.75 63.65 3iu2 n ILE 381 Cb 0.52 -0.89 -0.15 0.00 -0.71 0.00 0.00 39.64 38.41 3iu2 n ILE 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3iu2 s ILE 382 N -1.75 -0.05 -0.09 1.39 1.10 -0.53 -0.89 121.20 120.38 3iu2 s ILE 382 Ca 0.00 0.18 0.03 0.00 -0.51 0.00 0.00 60.65 60.36 3iu2 s ILE 382 Cb 0.00 -0.21 -0.01 0.00 0.15 0.00 0.00 42.46 42.39 3iu2 s ILE 382 CO 0.00 0.08 -0.19 -1.81 -2.11 0.00 0.00 174.94 170.90 3iu2 s ASP 383 N 1.13 3.54 -0.05 4.50 1.01 -0.63 -1.15 116.67 125.01 3iu2 s ASP 383 Ca -0.09 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.77 3iu2 s ASP 383 Cb -0.12 -1.21 0.02 0.00 1.01 0.00 0.00 42.92 42.63 3iu2 s ASP 383 CO -0.05 0.22 -0.03 -0.89 0.21 0.00 0.00 175.17 174.63 3iu2 s THR 384 N 0.01 0.47 -0.07 -1.27 2.01 -1.26 -1.56 115.64 113.97 3iu2 s THR 384 Ca -0.07 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 61.93 3iu2 s THR 384 Cb -0.15 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3iu2 s THR 384 CO 0.05 0.23 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.60 3iu2 s PHE 385 N 1.16 2.49 0.15 4.92 0.08 -0.09 -1.04 117.98 125.66 3iu2 s PHE 385 Ca -0.07 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.22 3iu2 s PHE 385 Cb -0.14 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 3iu2 s PHE 385 CO -0.01 -0.27 0.08 0.14 -0.10 0.00 0.00 175.22 175.05 3iu2 s VAL 386 N -0.01 4.22 -0.44 -0.44 -7.23 0.49 -0.88 120.40 116.11 3iu2 s VAL 386 Ca -0.08 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 3iu2 s VAL 386 Cb -0.15 -3.12 0.04 0.00 0.56 0.00 0.00 36.38 33.71 3iu2 s VAL 386 CO 0.05 -0.06 0.39 -0.69 -0.31 0.00 0.00 175.10 174.48 3iu2 s VAL 387 N -1.66 5.19 -0.39 1.32 1.01 0.08 -1.51 120.40 124.44 3iu2 s VAL 387 Ca 0.29 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3iu2 s VAL 387 Cb -0.10 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3iu2 s VAL 387 CO 0.21 -0.48 0.27 -0.70 0.00 0.00 0.00 175.10 174.41 3iu2 s GLU 388 N 1.82 3.00 0.14 2.72 2.12 -0.57 -1.38 118.70 126.55 3iu2 s GLU 388 Ca 0.07 -0.99 -0.02 0.00 0.36 0.00 0.00 54.97 54.38 3iu2 s GLU 388 Cb -0.21 -3.91 0.03 0.00 0.26 0.00 0.00 34.13 30.30 3iu2 s GLU 388 CO 0.09 -0.71 0.16 0.27 -0.54 0.00 0.00 175.26 174.54 3iu2 n ASN 389 N 5.12 -0.30 0.27 -1.70 0.23 -0.08 -4.38 115.26 114.42 3iu2 n ASN 389 Ca -0.11 -0.93 0.18 0.00 -0.53 0.00 0.00 54.58 53.19 3iu2 n ASN 389 Cb 0.47 -0.13 0.89 0.00 -2.08 0.00 0.00 39.78 38.93 3iu2 n ASN 389 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iu2 h ALA 390 N -2.01 1.00 -0.02 -2.53 0.00 -1.92 -1.80 119.26 111.99 3iu2 h ALA 390 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iu2 h ALA 390 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iu2 h ALA 390 CO 0.04 0.00 -0.31 0.09 0.00 0.00 0.00 179.25 179.07 3iu2 n ASN 391 N -2.88 2.06 0.00 0.00 4.13 -1.26 -4.96 115.26 112.35 3iu2 n ASN 391 Ca -0.01 -1.53 0.00 0.00 1.68 0.00 0.00 54.58 54.72 3iu2 n ASN 391 Cb 0.16 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 3iu2 n ASN 391 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iu2 n GLY 392 N 1.38 0.68 3.78 7.41 0.00 -0.67 -5.06 105.19 112.70 3iu2 n GLY 392 Ca 0.11 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3iu2 n GLY 392 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iu2 s GLU 393 N -0.46 3.99 -0.31 1.61 2.12 -1.26 -4.79 118.70 119.60 3iu2 s GLU 393 Ca 0.00 -0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.07 3iu2 s GLU 393 Cb 0.00 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.06 3iu2 s GLU 393 CO 0.00 0.45 0.90 0.08 -0.54 0.00 0.00 175.26 176.15 3iu2 s VAL 394 N -0.13 4.68 -0.15 3.70 1.01 -1.26 -0.91 120.40 127.35 3iu2 s VAL 394 Ca 0.15 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.58 3iu2 s VAL 394 Cb -0.13 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3iu2 s VAL 394 CO 0.04 -0.34 0.14 0.35 0.00 0.00 0.00 175.10 175.29 3iu2 n THR 395 N 5.66 0.00 -3.62 3.92 -2.24 -0.48 -5.01 114.28 112.51 3iu2 n THR 395 Ca 0.07 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3iu2 n THR 395 Cb 0.48 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 3iu2 n THR 395 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iu2 s ASP 396 N -1.48 -0.30 -0.01 3.42 1.11 -1.25 -3.01 116.67 115.14 3iu2 s ASP 396 Ca 0.01 -0.13 -0.18 0.00 0.18 0.00 0.00 52.55 52.44 3iu2 s ASP 396 Cb 0.03 0.47 0.03 0.00 1.07 0.00 0.00 42.92 44.51 3iu2 s ASP 396 CO 0.15 -0.78 0.38 0.72 1.18 0.00 0.00 175.17 176.82 3iu2 s PHE 397 N -3.18 -0.26 0.15 4.23 -0.12 -0.46 -0.74 117.98 117.61 3iu2 s PHE 397 Ca -0.01 0.37 0.10 0.00 -0.05 0.00 0.00 56.93 57.34 3iu2 s PHE 397 Cb 0.01 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 3iu2 s PHE 397 CO -0.07 -0.46 -0.23 -0.48 -0.05 0.00 0.00 175.22 173.93 3iu2 s LEU 398 N -1.45 2.38 -0.05 -1.99 0.05 -0.06 -1.10 118.68 116.46 3iu2 s LEU 398 Ca -0.11 -0.80 -0.13 0.00 0.05 0.00 0.00 54.13 53.14 3iu2 s LEU 398 Cb -0.04 -1.07 0.02 0.00 -2.05 0.00 0.00 46.19 43.06 3iu2 s LEU 398 CO 0.04 0.10 0.29 -0.94 -0.55 0.00 0.00 176.35 175.29 3iu2 s SER 399 N -2.36 -0.21 -0.04 1.48 1.04 -1.14 -0.91 113.70 111.54 3iu2 s SER 399 Ca 0.15 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.74 3iu2 s SER 399 Cb -0.08 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3iu2 s SER 399 CO 0.07 -0.32 0.21 0.72 0.98 0.00 0.00 173.24 174.90 3iu2 s PHE 400 N -0.81 -0.14 0.18 5.02 -0.12 -0.60 -1.62 117.98 119.89 3iu2 s PHE 400 Ca -0.09 0.30 0.04 0.00 -0.05 0.00 0.00 56.93 57.13 3iu2 s PHE 400 Cb -0.04 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 3iu2 s PHE 400 CO 0.03 -0.21 0.28 1.52 -0.05 0.00 0.00 175.22 176.78 3iu2 s TYR 401 N -0.60 3.41 -0.24 3.49 -0.85 -0.04 -1.61 117.35 120.91 3iu2 s TYR 401 Ca -0.07 0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.41 3iu2 s TYR 401 Cb -0.04 -1.61 -0.05 0.00 0.38 0.00 0.00 41.96 40.65 3iu2 s TYR 401 CO 0.01 0.50 0.21 0.99 -1.52 0.00 0.00 175.55 175.74 3iu2 s THR 402 N -1.83 5.32 -0.30 -3.49 2.01 -0.07 -0.79 115.64 116.48 3iu2 s THR 402 Ca 0.34 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.63 3iu2 s THR 402 Cb -0.10 -3.55 0.15 0.00 0.01 0.00 0.00 72.50 69.01 3iu2 s THR 402 CO 0.28 0.30 0.36 -0.22 -0.69 0.00 0.00 174.62 174.65 3iu2 s LEU 403 N 1.28 -0.47 0.72 4.42 2.96 -0.80 -4.77 118.68 122.02 3iu2 s LEU 403 Ca 0.10 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 3iu2 s LEU 403 Cb -0.14 0.79 0.02 0.00 0.50 0.00 0.00 46.19 47.36 3iu2 s LEU 403 CO 0.06 -0.35 1.07 -2.16 -1.32 0.00 0.00 176.35 173.65 3iu2 s PRO 404 N 2.31 2.72 0.10 0.98 0.04 -1.26 -3.45 135.00 136.44 3iu2 s PRO 404 Ca 0.11 0.75 0.10 0.00 0.04 0.00 0.00 61.00 62.00 3iu2 s PRO 404 Cb -0.13 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3iu2 s PRO 404 CO -0.28 -1.20 -0.24 -1.12 0.04 0.00 0.00 177.00 174.20 3iu2 s SER 405 N -3.96 3.46 0.06 6.66 0.01 -0.24 -1.00 113.70 118.69 3iu2 s SER 405 Ca 0.59 -0.63 -0.28 0.00 1.31 0.00 0.00 55.95 56.94 3iu2 s SER 405 Cb -0.13 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 3iu2 s SER 405 CO 0.54 0.21 0.87 -0.89 0.41 0.00 0.00 173.24 174.38 3iu2 s THR 406 N -1.00 4.68 -0.55 1.44 2.01 0.80 -1.06 115.64 121.97 3iu2 s THR 406 Ca 0.14 1.86 -0.20 0.00 0.31 0.00 0.00 61.69 63.80 3iu2 s THR 406 Cb -0.10 -4.23 0.06 0.00 0.01 0.00 0.00 72.50 68.25 3iu2 s THR 406 CO 0.06 0.30 0.74 -0.63 -0.69 0.00 0.00 174.62 174.40 3iu2 s ILE 407 N 0.20 4.71 0.14 1.82 1.01 -0.54 -1.66 121.20 126.88 3iu2 s ILE 407 Ca 0.44 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.37 3iu2 s ILE 407 Cb -0.21 -4.42 -0.09 0.00 0.01 0.00 0.00 42.46 37.74 3iu2 s ILE 407 CO 0.26 -0.99 1.52 -0.04 0.00 0.00 0.00 174.94 175.69 3iu2 s MET 408 N 3.05 4.25 -1.71 2.79 -1.94 -0.17 -3.23 119.30 122.34 3iu2 s MET 408 Ca 0.18 2.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.44 3iu2 s MET 408 Cb -0.18 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.45 3iu2 s MET 408 CO 0.12 -0.56 0.00 0.09 -0.01 0.00 0.00 175.02 174.66 3iu2 n ASN 409 N 4.04 -5.04 -4.71 3.03 3.02 -1.26 -4.95 115.26 109.39 3iu2 n ASN 409 Ca 0.13 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.61 3iu2 n ASN 409 Cb 0.40 -4.06 -0.07 0.00 -0.61 0.00 0.00 39.78 35.44 3iu2 n ASN 409 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3iu2 s HIS 410 N -2.69 3.45 0.26 3.10 2.46 -1.20 -5.00 115.29 115.67 3iu2 s HIS 410 Ca 0.00 0.67 -0.00 0.00 0.47 0.00 0.00 55.06 56.20 3iu2 s HIS 410 Cb 0.00 -2.44 0.34 0.00 -0.13 0.00 0.00 32.58 30.34 3iu2 s HIS 410 CO 0.00 0.15 1.70 -1.35 -2.47 0.00 0.00 174.74 172.77 3iu2 h PRO 411 N 6.90 0.61 0.00 2.88 0.11 -1.93 -3.40 132.00 137.17 3iu2 h PRO 411 Ca -0.40 -0.22 -0.14 0.00 0.11 0.00 0.00 66.00 65.35 3iu2 h PRO 411 Cb 1.17 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3iu2 h PRO 411 CO 0.74 0.78 -1.51 0.25 -0.21 0.00 0.00 178.00 178.05 3iu2 n THR 412 N -4.14 0.50 -3.50 -1.15 -2.24 -1.26 -4.93 114.28 97.56 3iu2 n THR 412 Ca 0.00 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3iu2 n THR 412 Cb 0.39 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 3iu2 n THR 412 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iu2 s HIS 413 N -2.17 3.23 -0.12 4.78 3.76 -1.26 -4.95 115.29 118.56 3iu2 s HIS 413 Ca -0.12 -0.43 0.20 0.00 -0.15 0.00 0.00 55.06 54.57 3iu2 s HIS 413 Cb 0.04 -2.52 -0.20 0.00 1.11 0.00 0.00 32.58 31.00 3iu2 s HIS 413 CO 0.19 -0.48 0.63 1.63 -0.85 0.00 0.00 174.74 175.85 3iu2 n LYS 414 N 5.12 0.64 -3.77 1.40 4.76 -1.26 -4.63 118.16 120.42 3iu2 n LYS 414 Ca -0.12 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.20 3iu2 n LYS 414 Cb 0.48 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 3iu2 n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3iu2 s SER 415 N -5.13 -0.12 -0.11 4.39 1.04 -1.26 -1.47 113.70 111.05 3iu2 s SER 415 Ca -0.05 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3iu2 s SER 415 Cb 0.11 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3iu2 s SER 415 CO 0.85 -0.56 -0.18 -0.22 0.98 0.00 0.00 173.24 174.11 3iu2 s LEU 416 N -1.85 1.87 -0.30 2.42 2.96 -0.23 -4.88 118.68 118.67 3iu2 s LEU 416 Ca -0.08 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.19 3iu2 s LEU 416 Cb -0.02 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 3iu2 s LEU 416 CO -0.01 0.07 0.49 -0.75 -1.32 0.00 0.00 176.35 174.82 3iu2 s LYS 417 N 0.75 3.85 -0.04 1.98 2.20 -1.26 -1.08 119.74 126.13 3iu2 s LYS 417 Ca -0.11 0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 3iu2 s LYS 417 Cb -0.16 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3iu2 s LYS 417 CO 0.02 -0.48 -0.21 0.00 -0.36 0.00 0.00 175.35 174.33 3iu2 s ALA 418 N 2.30 2.38 -0.04 3.13 0.00 -1.22 -0.71 121.76 127.59 3iu2 s ALA 418 Ca 0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 3iu2 s ALA 418 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3iu2 s ALA 418 CO 0.11 0.52 0.08 0.00 0.00 0.00 0.00 175.76 176.47 3iu2 s ALA 419 N -0.57 3.58 -0.15 0.00 0.00 -0.68 -1.90 121.76 122.02 3iu2 s ALA 419 Ca 0.08 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3iu2 s ALA 419 Cb -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3iu2 s ALA 419 CO 0.00 0.66 -0.16 0.71 0.00 0.00 0.00 175.76 176.98 3iu2 s TYR 420 N -1.10 2.28 0.12 0.00 2.02 0.03 -0.04 117.35 120.66 3iu2 s TYR 420 Ca 0.20 -1.28 -0.34 0.00 -0.37 0.00 0.00 57.07 55.27 3iu2 s TYR 420 Cb -0.12 -1.65 -0.14 0.00 -0.40 0.00 0.00 41.96 39.65 3iu2 s TYR 420 CO 0.10 -0.68 1.58 0.45 -1.57 0.00 0.00 175.55 175.43 3iu2 n SER 421 N 4.68 2.92 0.00 2.29 2.88 -0.04 -0.86 113.62 125.49 3iu2 n SER 421 Ca -0.18 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3iu2 n SER 421 Cb 0.50 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3iu2 n SER 421 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3iu2 n PHE 422 N 3.65 0.00 -4.83 0.66 7.35 -0.64 -4.86 117.46 118.78 3iu2 n PHE 422 Ca 0.18 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.54 3iu2 n PHE 422 Cb 0.27 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.96 3iu2 n PHE 422 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3iu2 s TYR 423 N 1.43 2.78 -0.20 -5.13 2.02 -1.26 -4.88 117.35 112.11 3iu2 s TYR 423 Ca 0.00 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 3iu2 s TYR 423 Cb 0.00 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 3iu2 s TYR 423 CO 0.00 -0.23 -0.09 -0.80 -1.57 0.00 0.00 175.55 172.86 3iu2 s ASN 424 N 0.33 3.41 -0.18 2.29 0.01 -1.26 -2.91 114.94 116.63 3iu2 s ASN 424 Ca -0.12 -0.91 -0.03 0.00 -0.71 0.00 0.00 52.86 51.10 3iu2 s ASN 424 Cb -0.16 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.29 3iu2 s ASN 424 CO 0.06 -0.16 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.73 3iu2 s VAL 425 N 1.42 3.40 -0.05 1.60 1.01 -0.26 -5.01 120.40 122.51 3iu2 s VAL 425 Ca -0.02 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3iu2 s VAL 425 Cb -0.16 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3iu2 s VAL 425 CO -0.08 0.47 -0.21 -1.38 0.00 0.00 0.00 175.10 173.90 3iu2 s HIS 426 N 0.86 2.09 0.00 5.22 -3.43 -1.26 -1.35 115.29 117.42 3iu2 s HIS 426 Ca -0.02 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 3iu2 s HIS 426 Cb -0.15 -1.38 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 3iu2 s HIS 426 CO 0.01 -0.19 0.00 0.25 -2.00 0.00 0.00 174.74 172.81 3iu2 n THR 427 N 3.04 0.00 0.00 -5.38 -2.24 -1.17 -4.94 114.28 103.59 3iu2 n THR 427 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iu2 n THR 427 Cb 0.52 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3iu2 n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu2 n GLN 428 N -1.31 2.39 -3.61 -0.78 1.13 -1.26 -5.04 117.38 108.91 3iu2 n GLN 428 Ca 0.00 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.70 3iu2 n GLN 428 Cb 0.25 -0.80 -0.07 0.00 0.11 0.00 0.00 30.24 29.73 3iu2 n GLN 428 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iu2 s THR 429 N -1.47 5.33 0.28 5.09 2.01 -1.26 -5.05 115.64 120.57 3iu2 s THR 429 Ca 0.00 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 3iu2 s THR 429 Cb 0.00 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.80 3iu2 s THR 429 CO 0.00 0.43 1.29 -2.65 -0.69 0.00 0.00 174.62 173.00 3iu2 n PRO 430 N 3.36 1.90 -0.34 4.92 -0.02 -1.26 -4.78 135.00 138.78 3iu2 n PRO 430 Ca -0.14 0.67 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 3iu2 n PRO 430 Cb 0.52 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3iu2 n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iu2 h LEU 431 N 3.22 0.95 -0.76 2.45 5.85 -1.96 -1.51 115.31 123.54 3iu2 h LEU 431 Ca -0.44 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3iu2 h LEU 431 Cb 1.29 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 3iu2 h LEU 431 CO 0.68 0.62 0.38 0.25 -0.34 0.00 0.00 178.44 180.04 3iu2 h LEU 432 N 1.10 0.48 -0.39 2.25 5.85 -1.94 -1.01 115.31 121.64 3iu2 h LEU 432 Ca 0.39 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 59.04 3iu2 h LEU 432 Cb 0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3iu2 h LEU 432 CO -0.15 0.25 -0.28 0.44 -0.34 0.00 0.00 178.44 178.36 3iu2 h ASP 433 N 0.61 0.93 -0.39 1.25 3.45 -1.69 -1.85 116.42 118.73 3iu2 h ASP 433 Ca 0.39 -0.43 0.05 0.00 0.43 0.00 0.00 57.03 57.46 3iu2 h ASP 433 Cb 0.46 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3iu2 h ASP 433 CO -0.30 1.16 0.13 -0.07 -1.57 0.00 0.00 179.24 178.59 3iu2 h LEU 434 N 0.70 0.13 -0.50 1.55 3.38 -0.75 -1.99 115.31 117.82 3iu2 h LEU 434 Ca 0.08 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 3iu2 h LEU 434 Cb 0.85 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3iu2 h LEU 434 CO 0.07 0.11 -0.69 0.24 0.09 0.00 0.00 178.44 178.27 3iu2 h MET 435 N 0.28 0.31 -0.68 1.13 2.86 -1.16 -1.20 114.93 116.47 3iu2 h MET 435 Ca 0.18 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3iu2 h MET 435 Cb 0.17 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3iu2 h MET 435 CO -0.19 0.88 0.41 1.03 1.06 0.00 0.00 176.91 180.10 3iu2 h SER 436 N 0.22 0.65 -0.14 1.22 0.87 -1.19 -0.83 113.55 114.35 3iu2 h SER 436 Ca -0.02 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 3iu2 h SER 436 Cb 1.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3iu2 h SER 436 CO 0.11 0.44 -0.23 0.44 -0.53 0.00 0.00 176.83 177.07 3iu2 h ASP 437 N 0.78 0.58 -0.66 6.23 3.32 -1.09 -2.26 116.42 123.33 3iu2 h ASP 437 Ca 0.29 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3iu2 h ASP 437 Cb 0.09 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3iu2 h ASP 437 CO -0.14 0.80 0.42 0.00 -1.72 0.00 0.00 179.24 178.61 3iu2 h ALA 438 N 1.25 0.84 -0.22 3.45 0.00 -0.65 -0.50 119.26 123.42 3iu2 h ALA 438 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3iu2 h ALA 438 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iu2 h ALA 438 CO 0.05 0.21 0.10 -0.07 0.00 0.00 0.00 179.25 179.54 3iu2 h LEU 439 N 0.84 0.15 -0.24 0.00 3.38 -0.93 -0.90 115.31 117.61 3iu2 h LEU 439 Ca 0.25 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3iu2 h LEU 439 Cb -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3iu2 h LEU 439 CO -0.08 0.12 0.15 0.58 0.09 0.00 0.00 178.44 179.30 3iu2 h VAL 440 N 0.23 1.04 -0.81 1.22 2.07 -1.15 -1.29 116.25 117.56 3iu2 h VAL 440 Ca 0.09 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3iu2 h VAL 440 Cb 0.03 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3iu2 h VAL 440 CO -0.07 0.06 0.53 -0.07 0.02 0.00 0.00 177.57 178.04 3iu2 h LEU 441 N 0.31 0.91 -0.57 2.57 3.38 -0.96 -0.76 115.31 120.19 3iu2 h LEU 441 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3iu2 h LEU 441 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3iu2 h LEU 441 CO -0.03 0.65 0.21 0.00 0.09 0.00 0.00 178.44 179.35 3iu2 h ALA 442 N 1.31 0.74 -0.49 1.53 0.00 -0.90 -1.79 119.26 119.65 3iu2 h ALA 442 Ca 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iu2 h ALA 442 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3iu2 h ALA 442 CO -0.08 0.36 0.28 -0.22 0.00 0.00 0.00 179.25 179.60 3iu2 h LYS 443 N 0.78 0.67 -0.77 0.00 1.63 -0.90 -1.91 116.57 116.07 3iu2 h LYS 443 Ca 0.19 -0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.00 3iu2 h LYS 443 Cb 0.22 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 3iu2 h LYS 443 CO -0.01 0.51 0.51 0.52 -3.45 0.00 0.00 179.45 177.52 3iu2 h MET 444 N 0.65 0.74 -0.13 1.90 2.86 -0.92 -1.88 114.93 118.15 3iu2 h MET 444 Ca 0.17 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3iu2 h MET 444 Cb 0.02 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3iu2 h MET 444 CO -0.03 0.49 0.00 1.63 1.06 0.00 0.00 176.91 180.06 3iu2 n LYS 445 N -4.49 1.42 -0.73 1.72 5.02 -0.69 -4.92 118.16 115.48 3iu2 n LYS 445 Ca 0.12 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 3iu2 n LYS 445 Cb 0.27 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3iu2 n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu2 n GLY 446 N 0.92 0.59 3.77 0.72 0.00 -0.71 -5.05 105.19 105.43 3iu2 n GLY 446 Ca 0.12 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3iu2 n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu2 s PHE 447 N -2.00 2.79 -0.10 1.61 0.08 -0.76 -4.87 117.98 114.73 3iu2 s PHE 447 Ca 0.00 1.54 0.15 0.00 0.12 0.00 0.00 56.93 58.75 3iu2 s PHE 447 Cb 0.00 -3.32 -0.20 0.00 -0.57 0.00 0.00 43.02 38.93 3iu2 s PHE 447 CO 0.00 -1.50 0.62 -0.25 -0.10 0.00 0.00 175.22 173.99 3iu2 n ASP 448 N -0.88 0.69 -3.76 1.36 10.43 0.11 -4.49 116.55 120.00 3iu2 n ASP 448 Ca 0.09 0.31 -0.13 0.00 2.57 0.00 0.00 54.79 57.64 3iu2 n ASP 448 Cb 0.50 0.29 -0.09 0.00 1.84 0.00 0.00 41.12 43.65 3iu2 n ASP 448 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iu2 s VAL 449 N -2.74 0.05 -0.20 2.53 0.11 -1.18 -1.38 120.40 117.59 3iu2 s VAL 449 Ca -0.05 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 3iu2 s VAL 449 Cb 0.08 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3iu2 s VAL 449 CO 0.82 -0.24 -0.13 0.12 -3.33 0.00 0.00 175.10 172.35 3iu2 s PHE 450 N -1.21 2.87 -0.12 1.54 5.36 -0.48 -1.69 117.98 124.24 3iu2 s PHE 450 Ca -0.12 -1.33 -0.05 0.00 -0.96 0.00 0.00 56.93 54.46 3iu2 s PHE 450 Cb -0.05 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 3iu2 s PHE 450 CO 0.04 -0.69 0.06 -0.80 -1.46 0.00 0.00 175.22 172.37 3iu2 s ASN 451 N 1.37 5.70 0.01 6.13 0.01 0.95 -0.32 114.94 128.80 3iu2 s ASN 451 Ca 0.05 0.23 -0.08 0.00 -0.71 0.00 0.00 52.86 52.34 3iu2 s ASN 451 Cb -0.14 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.73 3iu2 s ASN 451 CO -0.08 0.33 0.16 0.00 -1.51 0.00 0.00 177.10 176.00 3iu2 s ALA 452 N -0.57 -0.35 0.59 0.60 0.00 -0.62 -0.86 121.76 120.55 3iu2 s ALA 452 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 3iu2 s ALA 452 Cb -0.12 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3iu2 s ALA 452 CO 0.02 -0.26 0.85 -0.51 0.00 0.00 0.00 175.76 175.85 3iu2 s LEU 453 N -1.64 3.16 -0.17 0.00 1.43 -1.26 -0.88 118.68 119.32 3iu2 s LEU 453 Ca -0.11 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3iu2 s LEU 453 Cb -0.05 -3.00 0.44 0.00 0.03 0.00 0.00 46.19 43.61 3iu2 s LEU 453 CO -0.00 -1.24 1.30 -0.90 0.23 0.00 0.00 176.35 175.74 3iu2 n ASP 454 N -2.51 3.61 -3.96 2.29 5.75 -0.99 -4.77 116.55 115.97 3iu2 n ASP 454 Ca 0.07 -2.64 -0.21 0.00 -0.01 0.00 0.00 54.79 52.00 3iu2 n ASP 454 Cb 0.60 -0.63 0.12 0.00 -1.03 0.00 0.00 41.12 40.18 3iu2 n ASP 454 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iu2 n LEU 455 N 0.11 0.00 0.00 -2.12 -0.00 -1.26 -4.24 117.00 109.50 3iu2 n LEU 455 Ca 0.21 -1.59 0.00 0.00 -0.00 0.00 0.00 56.01 54.63 3iu2 n LEU 455 Cb 0.90 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 3iu2 n LEU 455 CO 0.23 -1.04 0.00 0.23 -0.00 0.00 0.00 177.39 176.82 3iu2 n MET 456 N -2.82 0.00 -0.83 1.47 2.81 -0.71 -1.24 117.12 115.81 3iu2 n MET 456 Ca 0.14 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.07 3iu2 n MET 456 Cb 0.49 0.00 0.35 0.00 -0.71 0.00 0.00 33.22 33.35 3iu2 n MET 456 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iu2 n GLU 457 N 14.00 4.35 0.11 0.03 1.02 -1.26 -4.40 120.64 134.49 3iu2 n GLU 457 Ca 0.00 -2.81 0.02 0.00 -0.02 0.00 0.00 57.16 54.35 3iu2 n GLU 457 Cb 0.00 -2.18 0.37 0.00 -0.02 0.00 0.00 31.44 29.61 3iu2 n GLU 457 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3iu2 h ASN 458 N 3.40 0.24 -0.10 1.62 2.35 -1.42 -1.95 115.58 119.72 3iu2 h ASN 458 Ca 0.04 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3iu2 h ASN 458 Cb 1.89 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 40.19 3iu2 h ASN 458 CO 0.48 0.41 0.13 0.11 -1.65 0.00 0.00 177.43 176.92 3iu2 h LYS 459 N 0.24 0.00 0.00 0.81 1.57 -1.79 -1.31 116.57 116.10 3iu2 h LYS 459 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3iu2 h LYS 459 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3iu2 h LYS 459 CO 0.02 0.00 -0.05 1.79 -0.57 0.00 0.00 179.45 180.65 3iu2 h THR 460 N 0.00 0.18 0.00 -0.16 1.35 -1.73 -3.31 112.91 109.24 3iu2 h THR 460 Ca 0.05 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3iu2 h THR 460 Cb 0.31 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3iu2 h THR 460 CO -0.00 0.05 -0.61 2.22 -0.25 0.00 0.00 175.52 176.93 3iu2 n PHE 461 N -3.24 0.00 0.11 4.73 1.16 -0.55 -4.80 117.46 114.87 3iu2 n PHE 461 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 3iu2 n PHE 461 Cb 0.24 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.05 3iu2 n PHE 461 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3iu2 h LEU 462 N 0.00 -0.38 -0.49 5.98 3.38 -1.49 -1.47 115.31 120.83 3iu2 h LEU 462 Ca 0.00 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3iu2 h LEU 462 Cb 0.01 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iu2 h LEU 462 CO 0.00 -0.21 -0.64 -0.33 0.09 0.00 0.00 178.44 177.35 3iu2 h GLU 463 N -0.30 0.44 -0.71 1.13 5.08 -1.81 -1.38 114.58 117.02 3iu2 h GLU 463 Ca 0.01 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3iu2 h GLU 463 Cb 0.30 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3iu2 h GLU 463 CO -0.05 0.93 0.32 0.87 -1.00 0.00 0.00 179.01 180.08 3iu2 h LYS 464 N 0.32 1.03 -0.66 2.33 1.57 -1.81 -2.68 116.57 116.66 3iu2 h LYS 464 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3iu2 h LYS 464 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3iu2 h LYS 464 CO 0.11 0.81 0.00 1.28 -0.57 0.00 0.00 179.45 181.08 3iu2 n LEU 465 N -4.32 4.63 -1.73 2.94 4.77 -0.58 -4.93 117.00 117.79 3iu2 n LEU 465 Ca 0.07 -2.35 -0.14 0.00 -0.03 0.00 0.00 56.01 53.56 3iu2 n LEU 465 Cb 0.15 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3iu2 n LEU 465 CO 0.39 0.57 -0.12 0.29 -1.33 0.00 0.00 177.39 177.18 3iu2 n LYS 466 N 0.55 -1.76 -2.37 3.23 5.02 -1.01 -5.00 118.16 116.82 3iu2 n LYS 466 Ca 0.22 0.65 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 3iu2 n LYS 466 Cb 0.96 -4.91 -0.02 0.00 -0.02 0.00 0.00 35.03 31.05 3iu2 n LYS 466 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3iu2 s PHE 467 N -2.77 2.92 0.09 2.13 0.08 -0.53 -4.59 117.98 115.31 3iu2 s PHE 467 Ca 0.06 1.57 0.10 0.00 0.12 0.00 0.00 56.93 58.78 3iu2 s PHE 467 Cb -0.03 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 3iu2 s PHE 467 CO 0.08 -1.23 -0.26 0.20 -0.10 0.00 0.00 175.22 173.90 3iu2 s GLY 468 N -1.62 1.49 0.31 4.36 0.00 0.21 -4.61 107.32 107.46 3iu2 s GLY 468 Ca 0.65 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 3iu2 s GLY 468 CO 0.29 -1.32 1.19 -1.50 0.00 0.00 0.00 173.10 171.76 3iu2 s ILE 469 N -0.96 3.14 0.60 0.90 2.07 -1.26 -0.75 121.20 124.93 3iu2 s ILE 469 Ca 0.13 1.12 0.06 0.00 -1.41 0.00 0.00 60.65 60.55 3iu2 s ILE 469 Cb -0.10 -3.71 0.09 0.00 0.13 0.00 0.00 42.46 38.87 3iu2 s ILE 469 CO 0.04 0.25 0.83 -0.83 -1.91 0.00 0.00 174.94 173.33 3iu2 s GLY 470 N -0.75 1.77 0.53 1.50 0.00 0.77 -4.87 107.32 106.27 3iu2 s GLY 470 Ca 0.48 -1.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 3iu2 s GLY 470 CO 0.46 -1.46 1.06 0.99 0.00 0.00 0.00 173.10 174.15 3iu2 s ASP 471 N -4.64 6.05 0.00 1.64 1.01 -1.26 -4.78 116.67 114.69 3iu2 s ASP 471 Ca 0.62 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.83 3iu2 s ASP 471 Cb -0.06 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3iu2 s ASP 471 CO 0.40 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.40 3iu2 n GLY 472 N -0.37 -0.58 3.22 0.21 0.00 -1.26 -4.75 105.19 101.66 3iu2 n GLY 472 Ca 0.10 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3iu2 n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iu2 s ASN 473 N -2.84 2.17 -0.32 1.61 0.01 -1.26 -4.34 114.94 109.97 3iu2 s ASN 473 Ca 0.00 -0.53 -0.09 0.00 -0.71 0.00 0.00 52.86 51.53 3iu2 s ASN 473 Cb 0.00 -0.15 0.01 0.00 0.41 0.00 0.00 41.25 41.51 3iu2 s ASN 473 CO 0.00 0.09 0.15 -0.22 -1.51 0.00 0.00 177.10 175.61 3iu2 s LEU 474 N -1.31 4.22 0.02 0.60 2.96 0.15 -4.29 118.68 121.03 3iu2 s LEU 474 Ca 0.05 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 3iu2 s LEU 474 Cb -0.09 -1.98 -0.06 0.00 0.50 0.00 0.00 46.19 44.56 3iu2 s LEU 474 CO 0.02 -0.25 0.46 -1.10 -1.32 0.00 0.00 176.35 174.17 3iu2 s GLN 475 N 1.57 4.03 -0.10 1.98 -1.52 -0.11 -0.37 119.66 125.13 3iu2 s GLN 475 Ca 0.03 0.52 -0.04 0.00 -1.95 0.00 0.00 55.36 53.93 3iu2 s GLN 475 Cb -0.18 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 3iu2 s GLN 475 CO 0.06 0.65 0.04 0.71 -0.25 0.00 0.00 175.29 176.50 3iu2 s TYR 476 N -1.01 3.28 0.07 0.91 2.02 0.11 -1.79 117.35 120.94 3iu2 s TYR 476 Ca 0.26 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 3iu2 s TYR 476 Cb -0.18 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3iu2 s TYR 476 CO 0.15 0.51 -0.08 0.71 -1.57 0.00 0.00 175.55 175.27 3iu2 s TYR 477 N -0.82 0.84 0.08 2.71 2.02 0.01 -0.64 117.35 121.55 3iu2 s TYR 477 Ca 0.13 -0.63 0.09 0.00 -0.37 0.00 0.00 57.07 56.29 3iu2 s TYR 477 Cb -0.12 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 3iu2 s TYR 477 CO 0.03 -0.07 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.18 3iu2 s LEU 478 N -2.11 2.23 -0.20 -1.29 1.43 -1.26 -2.34 118.68 115.13 3iu2 s LEU 478 Ca -0.01 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 3iu2 s LEU 478 Cb -0.05 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3iu2 s LEU 478 CO -0.01 0.19 0.08 -0.47 0.23 0.00 0.00 176.35 176.37 3iu2 s TYR 479 N -0.93 3.25 -1.32 0.29 5.04 0.47 -4.55 117.35 119.60 3iu2 s TYR 479 Ca 0.11 0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.74 3iu2 s TYR 479 Cb -0.10 -2.13 0.01 0.00 0.35 0.00 0.00 41.96 40.09 3iu2 s TYR 479 CO 0.03 0.10 1.09 -1.71 -1.34 0.00 0.00 175.55 173.73 3iu2 n ASN 480 N 3.79 -4.70 -3.32 4.32 5.15 -0.70 -2.91 115.26 116.89 3iu2 n ASN 480 Ca -0.16 -0.59 -0.07 0.00 -0.60 0.00 0.00 54.58 53.15 3iu2 n ASN 480 Cb 0.52 -4.94 -0.07 0.00 -0.53 0.00 0.00 39.78 34.76 3iu2 n ASN 480 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3iu2 s TRP 481 N -3.35 -0.95 -0.09 1.20 -0.11 -1.26 -3.59 118.94 110.79 3iu2 s TRP 481 Ca 0.38 1.00 -0.19 0.00 1.22 0.00 0.00 56.10 58.51 3iu2 s TRP 481 Cb -0.17 0.12 -0.04 0.00 -1.50 0.00 0.00 33.47 31.87 3iu2 s TRP 481 CO 0.74 -0.74 0.54 -1.59 -4.62 0.00 0.00 176.95 171.28 3iu2 s LYS 482 N 2.60 4.34 0.18 5.86 0.00 0.17 -4.82 119.74 128.06 3iu2 s LYS 482 Ca 0.14 0.57 -0.22 0.00 0.00 0.00 0.00 55.97 56.47 3iu2 s LYS 482 Cb -0.15 -3.42 0.05 0.00 0.00 0.00 0.00 37.83 34.31 3iu2 s LYS 482 CO -0.17 0.18 0.60 0.00 0.00 0.00 0.00 175.35 175.96 3iu2 s PRO 484 N -3.80 3.21 0.82 0.00 0.02 -1.26 -4.80 135.00 129.19 3iu2 s PRO 484 Ca 0.04 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 3iu2 s PRO 484 Cb -0.02 -2.11 0.08 0.00 0.02 0.00 0.00 34.50 32.47 3iu2 s PRO 484 CO -0.08 -1.04 1.09 -1.54 -0.33 0.00 0.00 177.00 175.10 3iu2 s SER 485 N -1.41 4.15 0.07 2.53 1.04 -1.26 -5.00 113.70 113.82 3iu2 s SER 485 Ca 0.73 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.88 3iu2 s SER 485 Cb -0.32 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3iu2 s SER 485 CO 0.36 -2.24 -0.09 0.00 0.98 0.00 0.00 173.24 172.25 3iu2 s MET 486 N -4.92 0.69 0.73 4.02 0.23 0.49 -5.02 119.30 115.53 3iu2 s MET 486 Ca 0.62 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 54.19 3iu2 s MET 486 Cb -0.17 -0.44 0.04 0.00 -1.53 0.00 0.00 34.83 32.73 3iu2 s MET 486 CO 0.56 0.08 1.13 0.20 -2.03 0.00 0.00 175.02 174.96 3iu2 s GLY 487 N -1.97 2.04 0.47 3.16 0.00 -1.26 -4.38 107.32 105.37 3iu2 s GLY 487 Ca -0.02 0.57 0.20 0.00 0.00 0.00 0.00 44.72 45.47 3iu2 s GLY 487 CO 0.00 0.94 1.93 0.00 0.00 0.00 0.00 173.10 175.98 3iu2 h ALA 488 N -0.55 2.32 0.00 3.20 0.00 -1.88 -0.59 119.26 121.76 3iu2 h ALA 488 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iu2 h ALA 488 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3iu2 h ALA 488 CO 0.51 -0.52 0.00 1.05 0.00 0.00 0.00 179.25 180.29 3iu2 h GLU 489 N 0.25 0.00 -0.01 0.00 9.09 -1.77 -2.13 114.58 120.00 3iu2 h GLU 489 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3iu2 h GLU 489 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3iu2 h GLU 489 CO -0.08 0.00 -0.51 1.63 0.05 0.00 0.00 179.01 180.11 3iu2 n LYS 490 N -2.44 1.01 -2.78 1.06 5.02 -0.23 -3.95 118.16 115.85 3iu2 n LYS 490 Ca 0.01 -0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 55.07 3iu2 n LYS 490 Cb 0.22 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3iu2 n LYS 490 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3iu2 s VAL 491 N -2.55 4.76 -0.31 -0.18 1.01 -0.81 -0.53 120.40 121.79 3iu2 s VAL 491 Ca 0.18 1.80 0.11 0.00 0.00 0.00 0.00 61.98 64.07 3iu2 s VAL 491 Cb 0.18 -4.21 0.46 0.00 0.00 0.00 0.00 36.38 32.81 3iu2 s VAL 491 CO 0.60 -0.12 1.14 0.61 0.00 0.00 0.00 175.10 177.33 3iu2 n GLY 492 N 3.53 5.05 2.89 4.51 0.00 0.11 -1.73 105.19 119.55 3iu2 n GLY 492 Ca 0.09 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 3iu2 n GLY 492 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu2 s LEU 493 N -3.60 1.26 -0.13 0.99 2.96 -1.15 -4.19 118.68 114.82 3iu2 s LEU 493 Ca 0.44 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3iu2 s LEU 493 Cb 0.39 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.59 3iu2 s LEU 493 CO -0.02 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.08 3iu2 s VAL 494 N 1.07 1.76 0.38 1.68 1.01 -1.26 -5.08 120.40 119.96 3iu2 s VAL 494 Ca -0.09 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3iu2 s VAL 494 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3iu2 s VAL 494 CO -0.01 0.49 0.36 -0.76 0.00 0.00 0.00 175.10 175.18 3iu2 s LEU 495 N 0.97 3.52 0.00 3.92 1.43 -1.26 -5.07 118.68 122.19 3iu2 s LEU 495 Ca -0.05 -0.60 0.30 0.00 -1.03 0.00 0.00 54.13 52.74 3iu2 s LEU 495 Cb -0.15 -2.18 1.41 0.00 0.03 0.00 0.00 46.19 45.29 3iu2 s LEU 495 CO -0.03 -0.53 1.95 0.00 0.23 0.00 0.00 176.35 177.97