#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 6.69 -0.32 0.55 0.01 -1.26 -5.18 113.70 114.19 3iu2 s SER 116 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 3iu2 s SER 116 Cb 0.00 -2.29 0.10 0.00 0.21 0.00 0.00 66.02 64.04 3iu2 s SER 116 CO 0.00 -0.13 0.10 -0.31 0.41 0.00 0.00 173.24 173.30 3iu2 s TYR 117 N -1.89 2.09 0.26 2.43 2.02 -1.26 -5.03 117.35 115.97 3iu2 s TYR 117 Ca 0.50 -1.99 -0.01 0.00 -0.37 0.00 0.00 57.07 55.20 3iu2 s TYR 117 Cb -0.11 -1.94 0.55 0.00 -0.40 0.00 0.00 41.96 40.06 3iu2 s TYR 117 CO 0.20 -0.89 1.75 0.37 -1.57 0.00 0.00 175.55 175.41 3iu2 h GLN 118 N 7.94 0.54 0.00 -0.62 4.15 -2.02 -0.14 115.11 124.97 3iu2 h GLN 118 Ca -0.11 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 3iu2 h GLN 118 Cb 1.01 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 3iu2 h GLN 118 CO 0.48 0.36 -0.70 0.35 -1.93 0.00 0.00 178.83 177.39 3iu2 h PHE 119 N 0.56 0.00 0.00 3.99 3.57 -2.02 -3.41 116.94 119.63 3iu2 h PHE 119 Ca 0.47 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.94 3iu2 h PHE 119 Cb 0.71 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3iu2 h PHE 119 CO -0.11 0.76 -0.13 -1.49 -2.23 0.00 0.00 178.31 175.11 3iu2 h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.96 -1.05 115.95 116.41 3iu2 h TRP 120 Ca -0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.80 3iu2 h TRP 120 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 3iu2 h TRP 120 CO 0.01 0.13 0.00 -0.44 -3.56 0.00 0.00 178.44 174.58 3iu2 h ASP 121 N 0.00 0.00 0.57 -3.49 3.32 -1.25 -2.35 116.42 113.22 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 -0.29 0.35 -1.72 0.00 0.00 179.24 177.59 3iu2 n THR 122 N -2.61 0.00 -3.86 0.35 -2.24 -0.40 -4.97 114.28 100.54 3iu2 n THR 122 Ca -0.00 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 3iu2 n THR 122 Cb 0.16 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.87 3.46 -1.37 -0.78 -1.52 -0.89 -5.00 119.66 110.69 3iu2 s GLN 123 Ca 0.16 -0.55 -0.12 0.00 -1.95 0.00 0.00 55.36 52.90 3iu2 s GLN 123 Cb 0.18 -2.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 3iu2 s GLN 123 CO 0.61 0.46 2.50 -0.35 -0.25 0.00 0.00 175.29 178.25 3iu2 n PRO 124 N -0.77 2.95 -4.28 2.91 -0.04 -1.26 -4.86 135.00 129.65 3iu2 n PRO 124 Ca -0.07 -2.16 -0.16 0.00 -0.04 0.00 0.00 63.50 61.07 3iu2 n PRO 124 Cb 0.54 -2.90 -0.10 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 2.98 1.35 0.75 0.52 -7.23 -1.26 -1.75 120.40 115.76 3iu2 s VAL 125 Ca 0.57 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 3iu2 s VAL 125 Cb 0.15 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 35.26 3iu2 s VAL 125 CO -0.05 -0.67 1.08 -2.84 -0.31 0.00 0.00 175.10 172.31 3iu2 s PRO 126 N -3.61 2.47 0.36 4.82 0.02 -1.26 -4.94 135.00 132.86 3iu2 s PRO 126 Ca 0.18 0.99 -0.20 0.00 0.02 0.00 0.00 61.00 61.99 3iu2 s PRO 126 Cb 0.01 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 3iu2 s PRO 126 CO 0.03 -1.44 0.87 0.15 -0.33 0.00 0.00 177.00 176.28 3iu2 s LYS 127 N -5.00 4.24 0.21 5.54 1.02 -1.26 -3.69 119.74 120.80 3iu2 s LYS 127 Ca 0.60 1.02 -0.32 0.00 0.02 0.00 0.00 55.97 57.28 3iu2 s LYS 127 Cb -0.15 -2.43 -0.13 0.00 -0.52 0.00 0.00 37.83 34.59 3iu2 s LYS 127 CO 0.55 0.12 1.59 1.28 -0.92 0.00 0.00 175.35 177.97 3iu2 n LEU 128 N -0.20 3.53 0.00 3.17 4.32 -1.26 -2.01 117.00 124.55 3iu2 n LEU 128 Ca 0.04 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 3iu2 n LEU 128 Cb 0.53 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.84 3iu2 n LEU 128 CO 0.40 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 3iu2 n GLY 129 N 3.14 1.85 3.67 -0.72 0.00 -1.26 -4.97 105.19 106.90 3iu2 n GLY 129 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3iu2 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iu2 s GLU 130 N -0.45 4.20 -0.04 1.61 2.12 -0.85 -4.99 118.70 120.30 3iu2 s GLU 130 Ca 0.00 2.17 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 3iu2 s GLU 130 Cb 0.00 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 3iu2 s GLU 130 CO 0.00 -0.78 1.11 0.08 -0.54 0.00 0.00 175.26 175.13 3iu2 s VAL 131 N 3.52 4.47 -0.13 3.70 1.01 -1.26 -4.95 120.40 126.76 3iu2 s VAL 131 Ca 0.72 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.47 3iu2 s VAL 131 Cb -0.34 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3iu2 s VAL 131 CO 0.29 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.60 3iu2 s VAL 132 N 1.74 2.81 -0.05 2.92 1.01 -1.26 -4.97 120.40 122.60 3iu2 s VAL 132 Ca 0.54 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.84 3iu2 s VAL 132 Cb -0.23 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.09 3iu2 s VAL 132 CO 0.23 0.53 0.98 -0.46 0.00 0.00 0.00 175.10 176.38 3iu2 n ASN 133 N 3.61 1.31 -4.66 3.32 6.94 -1.26 -4.30 115.26 120.22 3iu2 n ASN 133 Ca -0.18 -2.24 -0.27 0.00 -0.02 0.00 0.00 54.58 51.86 3iu2 n ASN 133 Cb 0.53 -0.21 -0.10 0.00 -2.36 0.00 0.00 39.78 37.64 3iu2 n ASN 133 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3iu2 s THR 134 N -1.28 2.14 -0.18 5.53 -4.23 -1.26 -5.02 115.64 111.33 3iu2 s THR 134 Ca 0.12 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 3iu2 s THR 134 Cb 0.10 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 71.04 3iu2 s THR 134 CO 0.01 -0.02 0.17 -1.00 -0.54 0.00 0.00 174.62 173.24 3iu2 s HIS 135 N -2.66 -0.08 -5.00 3.99 3.76 -1.24 -3.88 115.29 110.18 3iu2 s HIS 135 Ca 0.37 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 3iu2 s HIS 135 Cb 0.07 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.27 3iu2 s HIS 135 CO 0.20 -0.55 0.00 0.41 -0.85 0.00 0.00 174.74 173.94 3iu2 n GLY 136 N 5.30 -2.27 3.74 -2.22 0.00 -0.65 -5.00 105.19 104.09 3iu2 n GLY 136 Ca -0.06 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.98 2.28 -0.00 1.61 0.04 -1.26 -0.49 135.00 135.20 3iu2 s PRO 137 Ca 0.00 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.72 3iu2 s PRO 137 Cb 0.00 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.48 3iu2 s PRO 137 CO 0.00 -1.68 0.64 0.28 0.04 0.00 0.00 177.00 176.28 3iu2 n VAL 138 N -2.89 1.12 -4.07 -0.36 0.31 -1.26 -4.76 118.33 106.43 3iu2 n VAL 138 Ca 0.11 -0.71 -0.07 0.00 -0.01 0.00 0.00 64.34 63.67 3iu2 n VAL 138 Cb 0.51 -0.63 -0.10 0.00 -0.91 0.00 0.00 33.84 32.72 3iu2 n VAL 138 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3iu2 s GLU 139 N -2.89 0.64 0.50 5.55 -1.05 -1.26 -5.04 118.70 115.15 3iu2 s GLU 139 Ca -0.05 -1.20 -0.21 0.00 -0.15 0.00 0.00 54.97 53.36 3iu2 s GLU 139 Cb 0.09 0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 3iu2 s GLU 139 CO 0.83 -0.13 1.15 -1.25 0.95 0.00 0.00 175.26 176.81 3iu2 s PRO 140 N -3.92 3.57 0.45 -4.83 0.04 -1.26 -4.97 135.00 124.09 3iu2 s PRO 140 Ca 0.07 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 3iu2 s PRO 140 Cb 0.08 -2.23 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3iu2 s PRO 140 CO -0.10 -0.69 0.77 -0.25 0.04 0.00 0.00 177.00 176.77 3iu2 n ASP 141 N -0.84 0.13 -4.72 6.66 8.00 -1.26 -4.96 116.55 119.56 3iu2 n ASP 141 Ca 0.09 0.93 -0.42 0.00 0.71 0.00 0.00 54.79 56.11 3iu2 n ASP 141 Cb 0.49 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 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 -1.92 4.41 0.00 -1.24 -0.14 -1.26 -4.90 119.74 114.69 3iu2 s LYS 142 Ca 0.65 1.86 0.04 0.00 -1.36 0.00 0.00 55.97 57.15 3iu2 s LYS 142 Cb -0.55 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.28 3iu2 s LYS 142 CO 0.56 -0.28 0.36 -0.40 -0.76 0.00 0.00 175.35 174.83 3iu2 n ASP 143 N 3.77 0.68 -3.99 2.83 5.68 -1.26 -4.82 116.55 119.45 3iu2 n ASP 143 Ca 0.09 -0.84 -0.25 0.00 -0.50 0.00 0.00 54.79 53.29 3iu2 n ASP 143 Cb 0.45 0.55 -0.17 0.00 -1.14 0.00 0.00 41.12 40.82 3iu2 n ASP 143 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3iu2 s ASN 144 N -0.88 1.88 -0.07 -1.12 3.84 -1.26 -5.14 114.94 112.19 3iu2 s ASN 144 Ca 0.03 -0.30 0.04 0.00 0.21 0.00 0.00 52.86 52.84 3iu2 s ASN 144 Cb 0.03 -0.83 -0.02 0.00 -0.55 0.00 0.00 41.25 39.89 3iu2 s ASN 144 CO 0.10 -0.02 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.58 3iu2 s ILE 145 N 0.99 2.64 -0.07 -5.21 1.09 -1.26 -5.08 121.20 114.30 3iu2 s ILE 145 Ca -0.08 -0.85 -0.36 0.00 -1.10 0.00 0.00 60.65 58.25 3iu2 s ILE 145 Cb -0.15 -2.02 -0.14 0.00 -1.06 0.00 0.00 42.46 39.09 3iu2 s ILE 145 CO -0.00 0.57 1.70 -1.14 -0.10 0.00 0.00 174.94 175.96 3iu2 n ARG 146 N 2.87 1.72 0.08 2.79 0.63 -1.26 -4.89 116.66 118.60 3iu2 n ARG 146 Ca -0.17 0.63 -0.01 0.00 -0.92 0.00 0.00 57.85 57.37 3iu2 n ARG 146 Cb 0.52 -2.38 -0.04 0.00 0.45 0.00 0.00 32.46 31.01 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 7.25 0.00 -5.99 -0.14 4.20 -1.99 -3.46 115.11 114.98 3iu2 h GLN 147 Ca -0.47 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.63 3iu2 h GLN 147 Cb 1.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 3iu2 h GLN 147 CO 0.91 0.54 -0.21 -1.83 -0.67 0.00 0.00 178.83 177.56 3iu2 s GLU 148 N -2.88 3.90 0.57 1.46 -1.05 -1.26 -5.06 118.70 114.37 3iu2 s GLU 148 Ca 0.01 0.39 -0.21 0.00 -0.15 0.00 0.00 54.97 55.01 3iu2 s GLU 148 Cb 0.08 -3.22 -0.04 0.00 -0.44 0.00 0.00 34.13 30.51 3iu2 s GLU 148 CO 0.78 0.69 1.33 -2.30 0.95 0.00 0.00 175.26 176.71 3iu2 n PRO 149 N 1.85 1.56 -1.49 -4.83 -0.02 -1.26 -4.98 135.00 125.83 3iu2 n PRO 149 Ca -0.14 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 3iu2 n PRO 149 Cb 0.52 -2.55 0.09 0.00 -0.02 0.00 0.00 33.50 31.54 3iu2 n PRO 149 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3iu2 s TYR 150 N -1.31 2.05 -0.16 6.00 1.51 -1.26 -4.95 117.35 119.22 3iu2 s TYR 150 Ca 0.74 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 58.09 3iu2 s TYR 150 Cb -0.41 -3.51 -0.01 0.00 -0.11 0.00 0.00 41.96 37.92 3iu2 s TYR 150 CO 0.48 -2.66 1.09 0.99 -1.11 0.00 0.00 175.55 174.34 3iu2 s THR 151 N -1.88 4.59 0.56 -0.71 2.01 -1.26 -5.03 115.64 113.92 3iu2 s THR 151 Ca 0.76 1.90 -0.07 0.00 0.31 0.00 0.00 61.69 64.58 3iu2 s THR 151 Cb -0.30 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 3iu2 s THR 151 CO 0.44 -0.10 0.91 -0.76 -0.69 0.00 0.00 174.62 174.41 3iu2 s LEU 152 N 2.82 3.37 0.55 4.42 1.43 -1.26 -5.02 118.68 124.98 3iu2 s LEU 152 Ca 0.48 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.42 3iu2 s LEU 152 Cb -0.18 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 41.99 3iu2 s LEU 152 CO 0.13 -0.83 0.91 -2.65 0.23 0.00 0.00 176.35 174.13 3iu2 n PRO 153 N -2.53 0.97 -1.69 1.29 -0.02 -1.26 -4.86 135.00 126.90 3iu2 n PRO 153 Ca 0.03 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.44 3iu2 n PRO 153 Cb 0.56 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3iu2 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iu2 n GLN 154 N -0.53 2.15 -0.17 -0.52 10.64 -1.26 -2.48 117.38 125.20 3iu2 n GLN 154 Ca 0.12 0.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.05 3iu2 n GLN 154 Cb 0.45 -2.41 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 3iu2 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3iu2 n GLY 155 N 1.72 0.65 3.22 2.61 0.00 -1.26 -5.08 105.19 107.06 3iu2 n GLY 155 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.28 1.31 0.03 1.61 0.40 -1.04 -1.18 117.98 116.84 3iu2 s PHE 156 Ca 0.00 -0.57 -0.15 0.00 -0.60 0.00 0.00 56.93 55.61 3iu2 s PHE 156 Cb 0.00 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.86 3iu2 s PHE 156 CO 0.00 0.10 0.34 -0.08 0.70 0.00 0.00 175.22 176.29 3iu2 s THR 157 N -2.12 0.07 0.42 0.64 -1.32 -0.10 -4.75 115.64 108.48 3iu2 s THR 157 Ca 0.07 -0.57 -0.23 0.00 -1.21 0.00 0.00 61.69 59.75 3iu2 s THR 157 Cb -0.05 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3iu2 s THR 157 CO 0.02 -0.31 1.04 0.26 -2.21 0.00 0.00 174.62 173.42 3iu2 s TRP 158 N -2.27 3.21 -0.26 9.09 0.52 -1.26 -0.60 118.94 127.37 3iu2 s TRP 158 Ca -0.07 1.63 -0.04 0.00 0.02 0.00 0.00 56.10 57.64 3iu2 s TRP 158 Cb -0.02 -3.09 0.14 0.00 -1.15 0.00 0.00 33.47 29.35 3iu2 s TRP 158 CO -0.01 -0.63 0.49 0.34 0.02 0.00 0.00 176.95 177.16 3iu2 s ASP 159 N -1.71 -0.53 0.21 2.95 2.15 -0.70 -4.85 116.67 114.20 3iu2 s ASP 159 Ca 0.60 0.80 -0.31 0.00 0.43 0.00 0.00 52.55 54.07 3iu2 s ASP 159 Cb -0.20 1.64 -0.10 0.00 -0.30 0.00 0.00 42.92 43.96 3iu2 s ASP 159 CO 0.25 -0.26 1.53 0.00 -0.17 0.00 0.00 175.17 176.52 3iu2 s ALA 160 N 2.70 3.73 -0.30 3.66 0.00 -1.26 -1.50 121.76 128.79 3iu2 s ALA 160 Ca 0.09 1.39 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 3iu2 s ALA 160 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3iu2 s ALA 160 CO -0.17 -0.80 0.27 -0.51 0.00 0.00 0.00 175.76 174.55 3iu2 s LEU 161 N 0.43 4.17 -0.70 0.00 1.43 -0.33 -4.90 118.68 118.77 3iu2 s LEU 161 Ca 0.66 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.46 3iu2 s LEU 161 Cb -0.44 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.60 3iu2 s LEU 161 CO 0.37 -0.16 1.18 -0.62 0.23 0.00 0.00 176.35 177.35 3iu2 s ASP 162 N 1.72 6.18 0.01 2.29 2.15 -1.26 -4.78 116.67 122.98 3iu2 s ASP 162 Ca 0.09 -0.58 0.20 0.00 0.43 0.00 0.00 52.55 52.69 3iu2 s ASP 162 Cb -0.16 -2.52 0.85 0.00 -0.30 0.00 0.00 42.92 40.79 3iu2 s ASP 162 CO 0.11 -1.69 1.64 0.18 -0.17 0.00 0.00 175.17 175.24 3iu2 n LEU 163 N 8.80 0.04 0.18 -1.34 4.77 -1.26 -1.76 117.00 126.43 3iu2 n LEU 163 Ca 0.01 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3iu2 n LEU 163 Cb 0.48 -0.50 0.41 0.00 -2.33 0.00 0.00 43.42 41.48 3iu2 n LEU 163 CO 0.69 -0.17 0.88 1.23 -1.33 0.00 0.00 177.39 178.69 3iu2 h GLY 164 N 3.40 0.00 -6.02 -0.72 0.00 -2.00 -3.42 103.07 94.31 3iu2 h GLY 164 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3iu2 h GLY 164 CO 0.00 0.00 0.49 -0.35 0.00 0.00 0.00 176.54 176.68 3iu2 s ASP 165 N -5.21 6.76 0.16 0.19 3.68 -0.72 -4.97 116.67 116.55 3iu2 s ASP 165 Ca 0.06 0.84 -0.13 0.00 2.13 0.00 0.00 52.55 55.45 3iu2 s ASP 165 Cb 0.09 -2.44 0.05 0.00 -1.45 0.00 0.00 42.92 39.18 3iu2 s ASP 165 CO 0.57 -0.62 1.75 -0.09 0.13 0.00 0.00 175.17 176.90 3iu2 h ARG 166 N 7.97 0.77 -0.48 4.34 9.65 -1.85 -1.42 114.38 133.35 3iu2 h ARG 166 Ca -0.23 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.48 3iu2 h ARG 166 Cb 1.09 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 3iu2 h ARG 166 CO 0.90 0.63 0.06 0.78 2.80 0.00 0.00 179.97 185.15 3iu2 h GLY 167 N 0.72 0.82 0.84 2.80 0.00 -1.94 -0.92 103.07 105.39 3iu2 h GLY 167 Ca 0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3iu2 h GLY 167 CO -0.02 0.46 -0.09 -2.08 0.00 0.00 0.00 176.54 174.81 3iu2 h VAL 168 N 0.73 1.29 -0.96 4.60 2.07 -1.76 -1.60 116.25 120.62 3iu2 h VAL 168 Ca 0.15 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.59 3iu2 h VAL 168 Cb 0.35 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3iu2 h VAL 168 CO 0.01 0.35 0.62 0.25 0.02 0.00 0.00 177.57 178.82 3iu2 h LEU 169 N 0.21 1.00 -1.34 2.57 5.85 -1.04 -0.88 115.31 121.67 3iu2 h LEU 169 Ca 0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3iu2 h LEU 169 Cb 0.58 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3iu2 h LEU 169 CO 0.03 0.66 0.43 0.11 -0.34 0.00 0.00 178.44 179.33 3iu2 h LYS 170 N 1.15 0.87 -0.56 1.25 1.57 -1.01 -0.35 116.57 119.49 3iu2 h LYS 170 Ca 0.41 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3iu2 h LYS 170 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3iu2 h LYS 170 CO -0.16 0.58 -0.03 0.93 -0.57 0.00 0.00 179.45 180.20 3iu2 h GLU 171 N 0.90 1.01 -0.16 3.15 5.08 -0.18 -1.57 114.58 122.82 3iu2 h GLU 171 Ca 0.24 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3iu2 h GLU 171 Cb -0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3iu2 h GLU 171 CO -0.05 1.02 0.00 1.25 -1.00 0.00 0.00 179.01 180.24 3iu2 h LEU 172 N 0.90 0.27 -0.69 1.33 5.85 -0.94 -1.64 115.31 120.38 3iu2 h LEU 172 Ca 0.15 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 58.71 3iu2 h LEU 172 Cb 0.59 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 3iu2 h LEU 172 CO 0.04 0.51 0.14 0.22 -0.34 0.00 0.00 178.44 179.00 3iu2 h TYR 173 N 0.02 0.21 -0.24 1.25 3.20 -1.03 -1.39 116.97 119.00 3iu2 h TYR 173 Ca 0.05 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3iu2 h TYR 173 Cb 0.37 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3iu2 h TYR 173 CO 0.03 -0.08 -0.14 1.15 -1.64 0.00 0.00 178.16 177.47 3iu2 h THR 174 N 0.25 1.31 -0.30 1.81 2.02 -1.17 0.11 112.91 116.93 3iu2 h THR 174 Ca 0.38 -1.25 0.05 0.00 0.77 0.00 0.00 66.41 66.36 3iu2 h THR 174 Cb 0.62 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 3iu2 h THR 174 CO -0.49 0.39 0.05 0.25 0.37 0.00 0.00 175.52 176.08 3iu2 h LEU 175 N 0.24 -0.02 -0.26 2.58 5.85 -0.89 -2.21 115.31 120.60 3iu2 h LEU 175 Ca 0.05 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3iu2 h LEU 175 Cb 0.66 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3iu2 h LEU 175 CO 0.04 0.03 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.75 3iu2 h LEU 176 N 0.15 0.75 -1.65 2.25 3.38 -1.18 -0.89 115.31 118.11 3iu2 h LEU 176 Ca 0.14 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.74 3iu2 h LEU 176 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3iu2 h LEU 176 CO -0.20 1.11 0.46 -1.13 0.09 0.00 0.00 178.44 178.77 3iu2 h ASN 177 N 0.41 0.33 0.00 -0.43 -0.73 -0.67 -0.85 115.58 113.65 3iu2 h ASN 177 Ca 0.03 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3iu2 h ASN 177 Cb 0.94 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.47 3iu2 h ASN 177 CO 0.08 0.18 -1.59 -0.62 -0.37 0.00 0.00 177.43 175.12 3iu2 n GLU 178 N -4.46 0.53 0.00 6.67 1.02 -0.84 -4.71 120.64 118.84 3iu2 n GLU 178 Ca 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3iu2 n GLU 178 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.95 0.13 -2.14 1.62 3.02 -0.35 -4.89 115.26 110.69 3iu2 n ASN 179 Ca -0.01 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3iu2 n ASN 179 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.01 0.00 -1.92 3.10 9.36 -0.34 -4.70 117.16 122.64 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 0.25 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.93 3iu2 n TYR 180 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iu2 s VAL 181 N 0.58 2.70 0.25 2.97 1.01 -1.26 -4.84 120.40 121.81 3iu2 s VAL 181 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.50 3iu2 s VAL 181 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3iu2 s VAL 181 CO 0.00 0.03 0.04 -1.61 0.00 0.00 0.00 175.10 173.55 3iu2 s GLU 182 N 1.52 2.45 1.06 2.72 2.02 -1.26 -2.17 118.70 125.04 3iu2 s GLU 182 Ca 0.71 -1.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.26 3iu2 s GLU 182 Cb -0.43 -2.28 0.22 0.00 0.10 0.00 0.00 34.13 31.74 3iu2 s GLU 182 CO 0.32 0.39 1.17 0.16 0.02 0.00 0.00 175.26 177.31 3iu2 s ASP 183 N -3.58 2.18 0.06 -0.19 -4.77 -0.55 -4.90 116.67 104.92 3iu2 s ASP 183 Ca 0.31 0.67 0.18 0.00 -3.30 0.00 0.00 52.55 50.41 3iu2 s ASP 183 Cb -0.07 -0.98 0.77 0.00 -1.09 0.00 0.00 42.92 41.55 3iu2 s ASP 183 CO 0.21 -3.35 1.58 0.47 0.70 0.00 0.00 175.17 174.78 3iu2 n ASP 184 N -4.25 0.18 -1.02 2.11 8.00 -1.26 -2.05 116.55 118.26 3iu2 n ASP 184 Ca 0.11 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.26 3iu2 n ASP 184 Cb 0.59 -0.58 0.17 0.00 -0.02 0.00 0.00 41.12 41.28 3iu2 n ASP 184 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iu2 n ASP 185 N -1.69 3.19 -3.88 -2.24 10.43 -1.26 -4.99 116.55 116.12 3iu2 n ASP 185 Ca 0.04 -1.94 -0.24 0.00 2.57 0.00 0.00 54.79 55.21 3iu2 n ASP 185 Cb 0.21 -0.17 -0.01 0.00 1.84 0.00 0.00 41.12 42.99 3iu2 n ASP 185 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3iu2 n ASN 186 N 1.33 -0.58 -0.00 -2.24 4.13 -0.87 -4.90 115.26 112.13 3iu2 n ASN 186 Ca 0.16 -0.96 -0.00 0.00 1.68 0.00 0.00 54.58 55.47 3iu2 n ASN 186 Cb 0.57 -3.33 -0.01 0.00 -1.54 0.00 0.00 39.78 35.47 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 -4.36 2.40 -4.11 3.52 2.81 -1.26 -4.92 117.12 111.19 3iu2 n MET 187 Ca -0.31 -0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.42 3iu2 n MET 187 Cb 0.68 -1.03 -0.15 0.00 -0.71 0.00 0.00 33.22 32.02 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 -2.04 0.43 0.02 2.03 0.08 -1.26 -1.51 117.98 115.72 3iu2 s PHE 188 Ca -0.00 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.02 3iu2 s PHE 188 Cb 0.00 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.13 3iu2 s PHE 188 CO 0.04 -0.03 -0.16 0.50 -0.10 0.00 0.00 175.22 175.47 3iu2 s ARG 189 N 0.08 1.14 0.39 0.44 3.52 -1.12 -1.48 118.95 121.91 3iu2 s ARG 189 Ca -0.00 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.62 3iu2 s ARG 189 Cb -0.04 -1.15 -0.11 0.00 -1.56 0.00 0.00 34.95 32.09 3iu2 s ARG 189 CO -0.00 0.30 1.30 1.19 -0.81 0.00 0.00 175.30 177.27 3iu2 n PHE 190 N 2.19 2.27 -3.26 5.12 0.99 -0.92 -0.56 117.46 123.28 3iu2 n PHE 190 Ca -0.16 0.51 -0.26 0.00 -0.00 0.00 0.00 57.45 57.54 3iu2 n PHE 190 Cb 0.54 -2.40 -0.07 0.00 -1.00 0.00 0.00 39.48 36.55 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 0.41 3.17 -4.70 4.37 2.03 -0.47 -4.55 116.55 116.80 3iu2 n ASP 191 Ca 0.05 -3.35 -0.42 0.00 0.52 0.00 0.00 54.79 51.59 3iu2 n ASP 191 Cb 0.38 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 3iu2 n ASP 191 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3iu2 s TYR 192 N -2.50 2.42 0.65 -0.67 1.51 -1.26 -4.28 117.35 113.22 3iu2 s TYR 192 Ca 0.41 0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 56.50 3iu2 s TYR 192 Cb 0.20 -4.13 -0.02 0.00 -0.11 0.00 0.00 41.96 37.89 3iu2 s TYR 192 CO -0.06 -4.55 1.05 -1.54 -1.11 0.00 0.00 175.55 169.34 3iu2 s SER 193 N 2.20 5.92 0.15 2.29 1.04 -1.26 -4.89 113.70 119.15 3iu2 s SER 193 Ca 0.78 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 58.45 3iu2 s SER 193 Cb -0.46 -2.39 0.05 0.00 0.10 0.00 0.00 66.02 63.32 3iu2 s SER 193 CO 0.35 -1.07 1.71 -0.65 0.98 0.00 0.00 173.24 174.56 3iu2 h PRO 194 N -0.46 0.09 -0.75 4.02 0.11 -1.95 -0.65 132.00 132.42 3iu2 h PRO 194 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3iu2 h PRO 194 Cb 1.20 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3iu2 h PRO 194 CO 0.61 0.06 0.42 0.93 -0.21 0.00 0.00 178.00 179.82 3iu2 h GLU 195 N 0.10 1.03 -0.33 1.05 3.07 -1.99 -0.89 114.58 116.62 3iu2 h GLU 195 Ca 0.15 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 3iu2 h GLU 195 Cb 0.20 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3iu2 h GLU 195 CO -0.25 0.75 0.17 0.35 -1.40 0.00 0.00 179.01 178.63 3iu2 h PHE 196 N 1.04 0.47 -0.97 4.33 3.57 -1.82 -2.34 116.94 121.22 3iu2 h PHE 196 Ca 0.27 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3iu2 h PHE 196 Cb 0.01 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 3iu2 h PHE 196 CO 0.01 0.39 0.63 -0.07 -2.23 0.00 0.00 178.31 177.04 3iu2 h LEU 197 N 0.41 1.01 -0.92 0.59 3.38 -0.08 -0.28 115.31 119.43 3iu2 h LEU 197 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3iu2 h LEU 197 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3iu2 h LEU 197 CO -0.02 0.66 0.13 -0.07 0.09 0.00 0.00 178.44 179.23 3iu2 h LEU 198 N 1.15 0.87 -0.26 1.67 3.38 -1.07 0.13 115.31 121.18 3iu2 h LEU 198 Ca 0.41 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3iu2 h LEU 198 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iu2 h LEU 198 CO -0.15 0.86 0.02 -0.25 0.09 0.00 0.00 178.44 179.00 3iu2 h TRP 199 N 0.88 0.48 -0.13 1.13 7.01 -0.74 -1.46 115.95 123.11 3iu2 h TRP 199 Ca 0.19 -0.08 -0.17 0.00 2.11 0.00 0.00 58.89 60.94 3iu2 h TRP 199 Cb 0.34 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 3iu2 h TRP 199 CO 0.02 0.58 -0.64 0.00 -2.79 0.00 0.00 178.44 175.62 3iu2 h ALA 200 N 0.83 0.64 0.00 2.65 0.00 -0.94 -3.36 119.26 119.09 3iu2 h ALA 200 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3iu2 h ALA 200 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iu2 h ALA 200 CO 0.01 0.72 -1.61 1.28 0.00 0.00 0.00 179.25 179.65 3iu2 n LEU 201 N -3.90 0.35 -2.68 0.00 4.77 0.44 -4.51 117.00 111.47 3iu2 n LEU 201 Ca -0.04 -0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.47 3iu2 n LEU 201 Cb 0.65 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.74 3iu2 n LEU 201 CO 0.48 0.09 0.33 0.54 -1.33 0.00 0.00 177.39 177.49 3iu2 n ARG 202 N -1.96 3.40 -1.53 3.23 1.74 -0.55 -4.85 116.66 116.13 3iu2 n ARG 202 Ca -0.01 -4.54 -0.29 0.00 -0.77 0.00 0.00 57.85 52.24 3iu2 n ARG 202 Cb 0.47 -2.26 0.16 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.59 0.60 0.12 5.56 0.04 -1.26 -4.87 135.00 131.59 3iu2 s PRO 203 Ca 0.48 0.08 -0.35 0.00 0.04 0.00 0.00 61.00 61.25 3iu2 s PRO 203 Cb 0.36 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.96 3iu2 s PRO 203 CO -0.19 -2.52 1.46 -2.30 0.04 0.00 0.00 177.00 173.48 3iu2 n PRO 204 N -3.95 1.63 -0.45 0.56 -0.02 -1.26 -1.77 135.00 129.74 3iu2 n PRO 204 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3iu2 n PRO 204 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.96 0.73 3.63 -1.23 0.00 -1.26 -4.79 105.19 105.23 3iu2 n GLY 205 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.01 1.06 -4.83 1.61 4.27 -0.73 -4.68 117.44 112.13 3iu2 n TRP 206 Ca 0.00 0.46 -0.25 0.00 -3.89 0.00 0.00 57.50 53.82 3iu2 n TRP 206 Cb 0.00 -2.18 -0.16 0.00 -1.36 0.00 0.00 31.31 27.61 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 -1.87 2.00 0.29 5.67 1.43 -1.26 -5.05 118.68 119.88 3iu2 s LEU 207 Ca 0.73 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3iu2 s LEU 207 Cb -0.44 -0.91 0.45 0.00 0.03 0.00 0.00 46.19 45.31 3iu2 s LEU 207 CO 0.49 0.20 1.83 1.55 0.23 0.00 0.00 176.35 180.65 3iu2 h PRO 208 N 5.86 0.73 0.00 1.29 0.13 -1.95 -2.47 132.00 135.58 3iu2 h PRO 208 Ca -0.36 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3iu2 h PRO 208 Cb 1.16 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3iu2 h PRO 208 CO 0.48 0.70 0.00 1.96 -0.23 0.00 0.00 178.00 180.91 3iu2 h GLN 209 N 0.70 0.00 -0.08 0.86 1.08 -1.97 -2.77 115.11 112.93 3iu2 h GLN 209 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3iu2 h GLN 209 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3iu2 h GLN 209 CO 0.01 0.00 0.00 0.91 -0.95 0.00 0.00 178.83 178.80 3iu2 n TRP 210 N -2.51 0.09 -3.38 2.96 8.01 -0.93 -4.34 117.44 117.33 3iu2 n TRP 210 Ca 0.01 -0.05 -0.45 0.00 -1.31 0.00 0.00 57.50 55.71 3iu2 n TRP 210 Cb 0.21 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.49 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 -1.91 3.92 -0.47 -5.99 3.76 -1.05 -1.56 115.29 111.99 3iu2 s HIS 211 Ca 0.36 -2.36 -0.14 0.00 -0.15 0.00 0.00 55.06 52.77 3iu2 s HIS 211 Cb 0.19 -3.74 0.08 0.00 1.11 0.00 0.00 32.58 30.22 3iu2 s HIS 211 CO 0.30 -0.95 0.39 0.00 -0.85 0.00 0.00 174.74 173.63 3iu2 s GLY 213 N 2.67 1.38 -0.08 0.00 0.00 -0.56 -1.51 107.32 109.22 3iu2 s GLY 213 Ca 0.04 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.71 3iu2 s GLY 213 CO 0.05 -1.01 -0.16 0.14 0.00 0.00 0.00 173.10 172.12 3iu2 s VAL 214 N -2.27 1.47 0.18 1.40 1.01 -0.45 -1.71 120.40 120.03 3iu2 s VAL 214 Ca 0.41 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3iu2 s VAL 214 Cb -0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3iu2 s VAL 214 CO 0.34 0.43 -0.20 -0.13 0.00 0.00 0.00 175.10 175.54 3iu2 s ARG 215 N 0.61 1.37 0.09 2.72 0.52 0.23 -1.08 118.95 123.41 3iu2 s ARG 215 Ca -0.15 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 53.29 3iu2 s ARG 215 Cb -0.16 -1.51 -0.07 0.00 0.52 0.00 0.00 34.95 33.73 3iu2 s ARG 215 CO 0.05 0.31 1.38 0.08 0.02 0.00 0.00 175.30 177.14 3iu2 s VAL 216 N -1.95 3.43 0.14 3.52 1.01 -0.41 -0.92 120.40 125.22 3iu2 s VAL 216 Ca 0.18 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 3iu2 s VAL 216 Cb -0.06 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3iu2 s VAL 216 CO 0.08 0.06 1.72 0.58 0.00 0.00 0.00 175.10 177.55 3iu2 h VAL 217 N 4.39 0.84 -0.10 2.92 2.07 -1.46 0.20 116.25 125.10 3iu2 h VAL 217 Ca -0.41 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 3iu2 h VAL 217 Cb 1.20 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3iu2 h VAL 217 CO 0.87 0.02 -0.44 0.77 0.02 0.00 0.00 177.57 178.81 3iu2 h SER 218 N 0.11 0.56 0.21 0.57 4.64 -1.92 -3.36 113.55 114.36 3iu2 h SER 218 Ca 0.12 -0.63 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 3iu2 h SER 218 Cb 0.15 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3iu2 h SER 218 CO -0.19 1.10 -1.81 -1.54 -0.87 0.00 0.00 176.83 173.51 3iu2 n SER 219 N -4.29 0.19 0.00 4.97 3.41 -1.22 -4.98 113.62 111.70 3iu2 n SER 219 Ca -0.08 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3iu2 n SER 219 Cb 0.56 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 3iu2 n SER 219 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iu2 n ARG 220 N -2.39 -0.92 -1.70 4.33 5.12 0.70 -4.99 116.66 116.81 3iu2 n ARG 220 Ca -0.05 0.23 -0.44 0.00 -1.93 0.00 0.00 57.85 55.66 3iu2 n ARG 220 Cb 0.61 -3.92 -0.03 0.00 -1.16 0.00 0.00 32.46 27.96 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 -1.16 2.36 -2.42 5.56 4.81 -1.26 -4.56 118.16 121.49 3iu2 n LYS 221 Ca 0.00 0.84 -0.43 0.00 -0.87 0.00 0.00 58.31 57.86 3iu2 n LYS 221 Cb 0.23 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 32.67 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 0.26 4.21 0.00 3.14 2.96 -1.26 -1.28 118.68 126.71 3iu2 s LEU 222 Ca 0.70 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 3iu2 s LEU 222 Cb -0.59 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.56 3iu2 s LEU 222 CO 0.44 -0.72 0.09 1.33 -1.32 0.00 0.00 176.35 176.17 3iu2 n VAL 223 N 5.16 0.00 -3.72 1.68 0.24 -0.24 -4.90 118.33 116.55 3iu2 n VAL 223 Ca 0.13 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 3iu2 n VAL 223 Cb 0.45 1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.38 -0.14 -0.02 7.63 0.00 -0.94 -0.67 107.32 112.80 3iu2 s GLY 224 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 3iu2 s GLY 224 CO 0.00 -0.47 0.65 -0.12 0.00 0.00 0.00 173.10 173.16 3iu2 s PHE 225 N -3.72 -0.61 -0.05 1.90 5.36 -0.40 -1.34 117.98 119.11 3iu2 s PHE 225 Ca 0.03 0.97 -0.24 0.00 -0.96 0.00 0.00 56.93 56.74 3iu2 s PHE 225 Cb 0.03 0.41 0.05 0.00 -0.34 0.00 0.00 43.02 43.17 3iu2 s PHE 225 CO -0.11 -0.63 0.52 -1.50 -1.46 0.00 0.00 175.22 172.05 3iu2 s ILE 226 N -1.54 0.02 0.06 3.12 2.07 -0.57 -0.98 121.20 123.38 3iu2 s ILE 226 Ca -0.10 -0.18 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 3iu2 s ILE 226 Cb -0.00 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 3iu2 s ILE 226 CO 0.07 -0.10 -0.08 -0.94 -1.91 0.00 0.00 174.94 171.97 3iu2 s SER 227 N -1.10 1.00 -0.01 4.50 1.04 -0.85 -1.18 113.70 117.10 3iu2 s SER 227 Ca -0.11 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.72 3iu2 s SER 227 Cb -0.02 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3iu2 s SER 227 CO 0.07 -0.25 -0.18 0.00 0.98 0.00 0.00 173.24 173.86 3iu2 s ALA 228 N -1.87 1.49 0.05 5.32 0.00 -0.60 -2.33 121.76 123.81 3iu2 s ALA 228 Ca -0.04 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3iu2 s ALA 228 Cb -0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3iu2 s ALA 228 CO -0.00 0.36 -0.16 0.96 0.00 0.00 0.00 175.76 176.92 3iu2 s ILE 229 N -0.41 1.28 0.40 0.00 -4.36 -0.78 -4.75 121.20 112.59 3iu2 s ILE 229 Ca 0.07 -1.10 -0.25 0.00 -0.26 0.00 0.00 60.65 59.10 3iu2 s ILE 229 Cb -0.07 -1.15 -0.08 0.00 1.25 0.00 0.00 42.46 42.40 3iu2 s ILE 229 CO -0.01 0.03 1.14 -2.16 0.24 0.00 0.00 174.94 174.19 3iu2 s PRO 230 N -1.24 4.06 -0.19 0.37 0.04 -1.26 -0.56 135.00 136.22 3iu2 s PRO 230 Ca 0.03 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 3iu2 s PRO 230 Cb -0.08 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.87 3iu2 s PRO 230 CO 0.02 -0.29 0.49 0.00 0.04 0.00 0.00 177.00 177.25 3iu2 s ALA 231 N -1.46 -1.25 -0.08 8.56 0.00 -0.43 -4.80 121.76 122.30 3iu2 s ALA 231 Ca 0.57 1.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 3iu2 s ALA 231 Cb -0.29 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3iu2 s ALA 231 CO 0.36 -0.28 0.77 -0.80 0.00 0.00 0.00 175.76 175.82 3iu2 s ASN 232 N 1.07 7.04 -0.09 0.00 0.01 -1.26 -0.01 114.94 121.71 3iu2 s ASN 232 Ca -0.07 1.26 0.03 0.00 -0.71 0.00 0.00 52.86 53.37 3iu2 s ASN 232 Cb -0.06 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.16 3iu2 s ASN 232 CO -0.10 -0.19 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.49 3iu2 s ILE 233 N 1.09 1.59 -0.30 0.60 -1.09 -0.04 -0.77 121.20 122.29 3iu2 s ILE 233 Ca 0.40 -0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 57.92 3iu2 s ILE 233 Cb -0.18 -1.41 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 3iu2 s ILE 233 CO 0.19 0.46 0.41 -2.28 -1.23 0.00 0.00 174.94 172.49 3iu2 s HIS 234 N 0.57 3.23 -0.22 3.97 5.65 0.14 -1.18 115.29 127.44 3iu2 s HIS 234 Ca -0.15 0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.44 3iu2 s HIS 234 Cb -0.17 -2.68 0.06 0.00 -1.18 0.00 0.00 32.58 28.61 3iu2 s HIS 234 CO 0.05 -0.34 -0.04 -1.50 -0.65 0.00 0.00 174.74 172.26 3iu2 s ILE 235 N 2.15 1.33 0.00 0.89 1.10 0.27 -1.26 121.20 125.68 3iu2 s ILE 235 Ca 0.16 -1.08 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 3iu2 s ILE 235 Cb -0.16 -1.64 0.00 0.00 0.15 0.00 0.00 42.46 40.81 3iu2 s ILE 235 CO 0.11 -0.11 0.00 -1.22 -2.11 0.00 0.00 174.94 171.61 3iu2 n TYR 236 N 4.75 0.00 1.57 3.50 4.01 -0.31 -1.71 117.16 128.97 3iu2 n TYR 236 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.66 3iu2 n TYR 236 Cb 0.45 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.59 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 3.84 0.74 -4.26 7.72 8.00 -1.26 -4.87 116.55 126.47 3iu2 n ASP 237 Ca 0.00 -1.94 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 3iu2 n ASP 237 Cb 0.00 -0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.82 1.91 -0.21 -3.53 2.01 -0.69 -5.11 115.64 108.18 3iu2 s THR 238 Ca 0.12 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3iu2 s THR 238 Cb 0.06 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3iu2 s THR 238 CO 0.08 0.54 0.03 -1.61 -0.69 0.00 0.00 174.62 172.97 3iu2 s GLU 239 N -0.34 3.67 -0.02 4.92 2.02 -1.26 -0.57 118.70 127.13 3iu2 s GLU 239 Ca 0.03 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.59 3iu2 s GLU 239 Cb -0.11 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3iu2 s GLU 239 CO 0.01 -0.02 -0.18 0.15 0.02 0.00 0.00 175.26 175.23 3iu2 s LYS 240 N 1.13 1.55 -0.12 1.61 -0.14 -0.32 -4.97 119.74 118.48 3iu2 s LYS 240 Ca 0.03 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 53.69 3iu2 s LYS 240 Cb -0.14 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.50 3iu2 s LYS 240 CO 0.02 0.38 1.42 0.15 -0.76 0.00 0.00 175.35 176.56 3iu2 s LYS 241 N -0.38 4.21 0.29 1.68 3.01 -1.26 -0.86 119.74 126.44 3iu2 s LYS 241 Ca 0.06 1.87 0.02 0.00 -1.01 0.00 0.00 55.97 56.91 3iu2 s LYS 241 Cb -0.08 -3.85 -0.01 0.00 -1.01 0.00 0.00 37.83 32.88 3iu2 s LYS 241 CO -0.00 -0.76 0.08 -1.33 0.51 0.00 0.00 175.35 173.85 3iu2 n MET 242 N 6.82 0.78 -4.41 1.68 2.81 0.99 -4.58 117.12 121.21 3iu2 n MET 242 Ca 0.15 -2.39 -0.26 0.00 -1.81 0.00 0.00 57.70 53.39 3iu2 n MET 242 Cb 0.44 1.17 -0.11 0.00 -0.71 0.00 0.00 33.22 34.01 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 -2.53 2.50 -0.20 2.03 -7.23 -1.02 -1.32 120.40 112.63 3iu2 s VAL 243 Ca 0.12 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 3iu2 s VAL 243 Cb 0.01 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3iu2 s VAL 243 CO 0.08 -0.16 0.08 -1.61 -0.31 0.00 0.00 175.10 173.18 3iu2 s GLU 244 N -2.83 3.93 -0.19 4.82 2.02 0.28 -1.14 118.70 125.59 3iu2 s GLU 244 Ca 0.23 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 54.77 3iu2 s GLU 244 Cb -0.08 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3iu2 s GLU 244 CO 0.11 0.17 0.11 0.42 0.02 0.00 0.00 175.26 176.09 3iu2 s ILE 245 N 0.67 5.22 0.22 -1.63 -1.09 -0.95 -1.87 121.20 121.76 3iu2 s ILE 245 Ca 0.04 0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 3iu2 s ILE 245 Cb -0.13 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3iu2 s ILE 245 CO 0.02 0.46 0.45 0.21 -1.23 0.00 0.00 174.94 174.85 3iu2 s ASN 246 N 0.27 -0.11 -1.61 3.58 3.84 -0.99 -4.60 114.94 115.33 3iu2 s ASN 246 Ca 0.07 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.34 3iu2 s ASN 246 Cb -0.11 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 3iu2 s ASN 246 CO -0.01 -1.07 0.00 0.49 -2.79 0.00 0.00 177.10 173.72 3iu2 n PHE 247 N -0.34 -0.70 -1.72 0.43 3.01 -1.26 -2.00 117.46 114.88 3iu2 n PHE 247 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 3iu2 n PHE 247 Cb 0.62 -3.48 -0.03 0.00 -0.01 0.00 0.00 39.48 36.58 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 -4.98 4.42 -0.13 4.37 0.20 -1.26 -4.06 118.68 117.23 3iu2 s LEU 248 Ca 0.00 2.61 -0.09 0.00 0.69 0.00 0.00 54.13 57.34 3iu2 s LEU 248 Cb 0.00 -3.53 0.04 0.00 -0.43 0.00 0.00 46.19 42.27 3iu2 s LEU 248 CO 0.00 -1.03 0.33 0.00 -0.29 0.00 0.00 176.35 175.36 3iu2 s VAL 250 N 0.88 1.54 0.38 0.00 1.01 -1.26 -1.27 120.40 121.69 3iu2 s VAL 250 Ca -0.06 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 3iu2 s VAL 250 Cb -0.07 -1.33 -0.11 0.00 0.00 0.00 0.00 36.38 34.87 3iu2 s VAL 250 CO -0.06 0.44 1.05 1.57 0.00 0.00 0.00 175.10 178.10 3iu2 n HIS 251 N 3.16 1.37 -0.33 5.22 -0.00 0.15 -4.81 115.22 119.98 3iu2 n HIS 251 Ca -0.18 0.58 0.19 0.00 0.46 0.00 0.00 57.72 58.77 3iu2 n HIS 251 Cb 0.53 -2.26 0.44 0.00 -0.12 0.00 0.00 29.99 28.57 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 1.78 0.50 -0.06 1.57 1.57 -1.90 0.27 116.57 120.31 3iu2 h LYS 252 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3iu2 h LYS 252 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3iu2 h LYS 252 CO 0.58 0.33 0.00 0.36 -0.57 0.00 0.00 179.45 180.16 3iu2 n LYS 253 N -4.71 1.35 -0.07 3.15 2.85 -1.26 -3.13 118.16 116.33 3iu2 n LYS 253 Ca 0.25 -0.51 0.04 0.00 -1.05 0.00 0.00 58.31 57.04 3iu2 n LYS 253 Cb 0.77 -1.39 0.08 0.00 -0.65 0.00 0.00 35.03 33.84 3iu2 n LYS 253 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3iu2 n LEU 254 N -0.31 2.24 -4.77 -5.58 0.00 0.07 -5.06 117.00 103.60 3iu2 n LEU 254 Ca 0.17 -1.57 -0.36 0.00 0.00 0.00 0.00 56.01 54.25 3iu2 n LEU 254 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 43.42 43.54 3iu2 n LEU 254 CO 0.14 0.52 0.82 -0.13 0.00 0.00 0.00 177.39 178.74 3iu2 s ARG 255 N -0.86 3.37 -1.42 1.96 1.81 -1.15 -3.51 118.95 119.15 3iu2 s ARG 255 Ca 0.14 1.73 -0.05 0.00 -1.72 0.00 0.00 55.73 55.82 3iu2 s ARG 255 Cb 0.08 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 3iu2 s ARG 255 CO 0.11 -0.86 0.71 0.43 -0.68 0.00 0.00 175.30 175.01 3iu2 n SER 256 N -1.14 -5.96 -0.02 0.23 7.64 -1.26 -4.89 113.62 108.23 3iu2 n SER 256 Ca 0.11 -0.33 0.02 0.00 1.01 0.00 0.00 58.87 59.68 3iu2 n SER 256 Cb 0.50 -4.73 0.03 0.00 -1.01 0.00 0.00 64.21 59.00 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 -4.06 2.57 -2.63 1.43 5.02 -1.23 -5.00 118.16 114.26 3iu2 n LYS 257 Ca -0.08 -1.75 -0.15 0.00 -2.02 0.00 0.00 58.31 54.31 3iu2 n LYS 257 Cb 0.60 -1.12 0.02 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.72 -2.68 0.11 1.97 5.12 -1.26 -4.93 116.66 114.26 3iu2 n ARG 258 Ca 0.04 0.63 -0.20 0.00 -1.93 0.00 0.00 57.85 56.38 3iu2 n ARG 258 Cb 0.34 -4.87 -0.13 0.00 -1.16 0.00 0.00 32.46 26.65 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 -0.68 1.37 -0.44 1.55 2.07 -1.94 -3.37 116.25 114.81 3iu2 h VAL 259 Ca -0.35 -2.75 0.07 0.00 0.82 0.00 0.00 66.70 64.49 3iu2 h VAL 259 Cb 1.24 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.82 3iu2 h VAL 259 CO 0.38 0.82 0.10 0.00 0.02 0.00 0.00 177.57 178.89 3iu2 h ALA 260 N 0.40 0.49 -0.61 1.67 0.00 -1.95 -1.43 119.26 117.82 3iu2 h ALA 260 Ca -0.18 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3iu2 h ALA 260 Cb 1.98 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 3iu2 h ALA 260 CO 0.23 -0.30 0.41 -1.35 0.00 0.00 0.00 179.25 178.23 3iu2 h PRO 261 N 0.23 0.60 -0.26 0.00 0.11 -2.00 -0.99 132.00 129.70 3iu2 h PRO 261 Ca 0.21 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 3iu2 h PRO 261 Cb 0.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3iu2 h PRO 261 CO -0.27 0.40 -0.19 0.28 -0.21 0.00 0.00 178.00 178.00 3iu2 h VAL 262 N 0.62 1.31 -0.83 3.15 2.07 -1.45 -1.66 116.25 119.45 3iu2 h VAL 262 Ca 0.26 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.52 3iu2 h VAL 262 Cb 0.24 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3iu2 h VAL 262 CO -0.08 0.42 0.51 -0.07 0.02 0.00 0.00 177.57 178.37 3iu2 h LEU 263 N 0.30 0.79 -0.17 2.57 3.38 -0.77 0.53 115.31 121.93 3iu2 h LEU 263 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3iu2 h LEU 263 Cb 0.73 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3iu2 h LEU 263 CO 0.05 0.50 -0.02 0.40 0.09 0.00 0.00 178.44 179.46 3iu2 h ILE 264 N 0.92 1.27 -0.57 1.22 2.04 -1.07 -1.79 117.51 119.52 3iu2 h ILE 264 Ca 0.37 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3iu2 h ILE 264 Cb 0.20 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3iu2 h ILE 264 CO -0.18 0.27 0.17 0.03 0.00 0.00 0.00 178.15 178.44 3iu2 h ARG 265 N 0.05 0.86 -0.22 2.37 3.08 -1.09 -1.43 114.38 118.00 3iu2 h ARG 265 Ca 0.05 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 3iu2 h ARG 265 Cb 0.42 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3iu2 h ARG 265 CO 0.01 0.76 -0.23 1.49 -1.07 0.00 0.00 179.97 180.92 3iu2 h GLU 266 N 0.84 0.55 -0.57 0.04 4.57 -0.77 -1.16 114.58 118.07 3iu2 h GLU 266 Ca 0.19 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3iu2 h GLU 266 Cb 0.26 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3iu2 h GLU 266 CO -0.01 0.88 0.14 0.97 -1.18 0.00 0.00 179.01 179.82 3iu2 h ILE 267 N 0.24 1.23 -0.22 2.32 6.09 -1.26 -0.93 117.51 124.99 3iu2 h ILE 267 Ca 0.03 -0.85 0.05 0.00 -1.37 0.00 0.00 64.86 62.73 3iu2 h ILE 267 Cb 0.79 0.64 -0.05 0.00 0.47 0.00 0.00 36.82 38.68 3iu2 h ILE 267 CO 0.06 0.32 -0.08 0.74 -3.07 0.00 0.00 178.15 176.11 3iu2 h THR 268 N 0.85 0.71 -0.73 2.19 2.02 -1.09 -0.22 112.91 116.65 3iu2 h THR 268 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3iu2 h THR 268 Cb 0.31 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3iu2 h THR 268 CO -0.00 0.00 0.44 -0.09 0.37 0.00 0.00 175.52 176.24 3iu2 h ARG 269 N -0.04 0.99 -0.12 6.66 2.43 -0.76 0.04 114.38 123.58 3iu2 h ARG 269 Ca 0.12 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3iu2 h ARG 269 Cb 0.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3iu2 h ARG 269 CO -0.26 0.70 -0.36 0.00 -1.51 0.00 0.00 179.97 178.55 3iu2 h ARG 270 N 0.99 0.24 -0.04 0.20 3.08 -0.78 -2.14 114.38 115.93 3iu2 h ARG 270 Ca 0.26 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 59.99 3iu2 h ARG 270 Cb -0.03 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.03 3iu2 h ARG 270 CO -0.05 0.57 -0.85 0.28 -1.07 0.00 0.00 179.97 178.85 3iu2 h VAL 271 N 0.21 1.31 -0.81 2.04 2.07 -0.72 -3.18 116.25 117.16 3iu2 h VAL 271 Ca 0.02 -2.12 0.14 0.00 0.82 0.00 0.00 66.70 65.57 3iu2 h VAL 271 Cb 0.73 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 3iu2 h VAL 271 CO 0.06 0.65 0.53 0.45 0.02 0.00 0.00 177.57 179.28 3iu2 h HIS 272 N 0.31 0.63 0.00 1.57 3.86 -0.75 -1.82 115.15 118.95 3iu2 h HIS 272 Ca -0.10 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3iu2 h HIS 272 Cb 1.51 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.78 3iu2 h HIS 272 CO 0.11 0.24 -0.10 -0.07 0.86 0.00 0.00 177.93 178.97 3iu2 h LEU 273 N 0.54 0.00 -2.00 2.43 3.38 -1.37 -1.36 115.31 116.94 3iu2 h LEU 273 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3iu2 h LEU 273 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3iu2 h LEU 273 CO -0.15 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 3iu2 n GLU 274 N -3.99 2.33 -1.72 1.13 -0.58 -0.69 -4.95 120.64 112.17 3iu2 n GLU 274 Ca -0.02 -1.91 -0.07 0.00 -0.42 0.00 0.00 57.16 54.74 3iu2 n GLU 274 Cb 0.19 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.27 0.44 3.48 0.62 0.00 -0.51 -5.03 105.19 105.45 3iu2 n GLY 275 Ca 0.18 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.30 3.66 0.00 -0.61 -1.09 -1.16 -5.01 121.20 114.69 3iu2 s ILE 276 Ca 0.00 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3iu2 s ILE 276 Cb 0.00 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 3iu2 s ILE 276 CO 0.00 0.52 0.56 0.49 -1.23 0.00 0.00 174.94 175.28 3iu2 n PHE 277 N 3.30 0.00 -4.24 3.97 3.72 -1.26 -3.63 117.46 119.32 3iu2 n PHE 277 Ca -0.18 -0.14 -0.20 0.00 -0.05 0.00 0.00 57.45 56.89 3iu2 n PHE 277 Cb 0.53 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.28 1.01 0.06 -1.08 1.11 -1.26 -4.67 119.66 114.55 3iu2 s GLN 278 Ca 0.00 -1.16 -0.06 0.00 0.01 0.00 0.00 55.36 54.15 3iu2 s GLN 278 Cb 0.00 -1.02 -0.01 0.00 -1.01 0.00 0.00 33.01 30.97 3iu2 s GLN 278 CO 0.00 0.21 0.11 0.00 0.01 0.00 0.00 175.29 175.62 3iu2 s ALA 279 N -1.69 -0.01 0.06 6.09 0.00 -1.16 -2.43 121.76 122.63 3iu2 s ALA 279 Ca 0.06 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.38 3iu2 s ALA 279 Cb -0.07 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3iu2 s ALA 279 CO 0.03 -0.41 -0.20 0.54 0.00 0.00 0.00 175.76 175.73 3iu2 s VAL 280 N -3.39 2.66 0.17 0.00 0.11 -0.30 -0.26 120.40 119.39 3iu2 s VAL 280 Ca 0.02 -1.31 -0.22 0.00 -2.93 0.00 0.00 61.98 57.53 3iu2 s VAL 280 Cb 0.03 -2.13 0.06 0.00 -1.53 0.00 0.00 36.38 32.81 3iu2 s VAL 280 CO -0.08 0.28 0.60 -0.72 -3.33 0.00 0.00 175.10 171.85 3iu2 s TYR 281 N -0.95 -0.47 0.16 1.54 -0.85 -0.81 -2.24 117.35 113.72 3iu2 s TYR 281 Ca 0.15 0.22 0.08 0.00 -0.52 0.00 0.00 57.07 56.99 3iu2 s TYR 281 Cb -0.10 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3iu2 s TYR 281 CO 0.06 -0.88 -0.17 0.95 -1.52 0.00 0.00 175.55 173.99 3iu2 s THR 282 N -3.77 1.67 0.09 -3.49 -4.23 -1.26 -0.51 115.64 104.13 3iu2 s THR 282 Ca 0.02 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 3iu2 s THR 282 Cb -0.01 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 72.10 3iu2 s THR 282 CO -0.11 -0.37 0.44 0.00 -0.54 0.00 0.00 174.62 174.05 3iu2 s ALA 283 N -2.16 -1.08 -2.38 3.99 0.00 -0.73 -4.99 121.76 114.42 3iu2 s ALA 283 Ca 0.14 0.20 0.29 0.00 0.00 0.00 0.00 51.96 52.59 3iu2 s ALA 283 Cb -0.05 0.57 1.25 0.00 0.00 0.00 0.00 23.12 24.89 3iu2 s ALA 283 CO 0.05 -0.59 1.86 0.41 0.00 0.00 0.00 175.76 177.50 3iu2 n GLY 284 N 0.05 -0.24 3.75 0.00 0.00 -1.26 -0.57 105.19 106.92 3iu2 n GLY 284 Ca -0.17 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 4.36 -0.28 1.61 -7.23 -1.26 -4.61 120.40 110.99 3iu2 s VAL 285 Ca 0.40 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 3iu2 s VAL 285 Cb 0.21 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 34.03 3iu2 s VAL 285 CO 0.34 0.06 0.87 -0.69 -0.31 0.00 0.00 175.10 175.38 3iu2 s VAL 286 N -1.47 4.75 0.20 1.32 1.01 -1.26 -4.81 120.40 120.15 3iu2 s VAL 286 Ca 0.29 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.81 3iu2 s VAL 286 Cb -0.11 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3iu2 s VAL 286 CO 0.21 -0.21 -0.06 -0.76 0.00 0.00 0.00 175.10 174.29 3iu2 s LEU 287 N 3.04 2.37 -0.02 3.92 1.43 -1.26 -5.11 118.68 123.06 3iu2 s LEU 287 Ca 0.36 -1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 3iu2 s LEU 287 Cb -0.14 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 3iu2 s LEU 287 CO 0.10 -0.41 1.49 -2.84 0.23 0.00 0.00 176.35 174.93 3iu2 s PRO 288 N -3.79 4.24 -0.02 1.29 0.02 -1.26 -3.57 135.00 131.90 3iu2 s PRO 288 Ca 0.24 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3iu2 s PRO 288 Cb 0.04 -3.70 0.03 0.00 0.02 0.00 0.00 34.50 30.89 3iu2 s PRO 288 CO 0.06 -0.68 0.02 0.21 -0.33 0.00 0.00 177.00 176.27 3iu2 s LYS 289 N 2.95 0.10 0.33 5.54 2.20 -1.24 -4.74 119.74 124.87 3iu2 s LYS 289 Ca 0.67 0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 3iu2 s LYS 289 Cb -0.32 -0.34 -0.11 0.00 -1.51 0.00 0.00 37.83 35.55 3iu2 s LYS 289 CO 0.27 -0.15 1.53 -2.14 -0.36 0.00 0.00 175.35 174.50 3iu2 s PRO 290 N 1.04 4.13 0.14 4.03 0.02 -1.23 -4.73 135.00 138.39 3iu2 s PRO 290 Ca -0.09 2.56 0.24 0.00 0.02 0.00 0.00 61.00 63.72 3iu2 s PRO 290 Cb -0.13 -3.00 0.21 0.00 0.02 0.00 0.00 34.50 31.59 3iu2 s PRO 290 CO -0.02 -0.57 1.21 -0.39 -0.33 0.00 0.00 177.00 176.89 3iu2 h VAL 291 N 3.21 0.00 -2.16 3.83 -1.51 -1.21 -3.45 116.25 114.96 3iu2 h VAL 291 Ca -0.49 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 3iu2 h VAL 291 Cb 1.23 1.16 -0.18 0.00 -2.13 0.00 0.00 31.29 31.37 3iu2 h VAL 291 CO 0.72 0.00 0.32 -0.83 -1.23 0.00 0.00 177.57 176.55 3iu2 s GLY 292 N -3.86 -0.50 -0.09 5.19 0.00 -1.21 -0.01 107.32 106.83 3iu2 s GLY 292 Ca 0.04 1.25 -0.00 0.00 0.00 0.00 0.00 44.72 46.01 3iu2 s GLY 292 CO 0.75 0.71 -0.06 -1.59 0.00 0.00 0.00 173.10 172.92 3iu2 s THR 293 N -2.00 0.82 0.31 0.90 2.01 -1.26 -0.52 115.64 115.90 3iu2 s THR 293 Ca -0.04 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 61.87 3iu2 s THR 293 Cb -0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3iu2 s THR 293 CO 0.01 0.33 0.06 0.00 -0.69 0.00 0.00 174.62 174.32 3iu2 s ARG 295 N -3.76 1.64 -0.02 0.00 1.81 -1.26 -0.93 118.95 116.44 3iu2 s ARG 295 Ca 0.35 -1.21 -0.17 0.00 -1.72 0.00 0.00 55.73 52.98 3iu2 s ARG 295 Cb -0.03 -1.96 -0.06 0.00 -0.45 0.00 0.00 34.95 32.46 3iu2 s ARG 295 CO 0.21 0.49 0.46 -0.47 -0.68 0.00 0.00 175.30 175.30 3iu2 s TYR 296 N -0.92 3.69 0.10 -0.53 6.14 -1.26 -2.46 117.35 122.10 3iu2 s TYR 296 Ca 0.13 1.02 0.10 0.00 0.64 0.00 0.00 57.07 58.96 3iu2 s TYR 296 Cb -0.10 -2.40 -0.04 0.00 0.42 0.00 0.00 41.96 39.84 3iu2 s TYR 296 CO 0.04 0.51 -0.25 -1.58 0.64 0.00 0.00 175.55 174.91 3iu2 s TRP 297 N -0.63 2.15 -0.02 4.97 0.52 0.28 -0.15 118.94 126.06 3iu2 s TRP 297 Ca 0.25 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.04 3iu2 s TRP 297 Cb -0.17 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 3iu2 s TRP 297 CO 0.14 0.25 -0.19 -1.01 0.02 0.00 0.00 176.95 176.15 3iu2 s HIS 298 N -1.01 1.76 -0.22 -1.98 3.76 -0.11 -1.78 115.29 115.69 3iu2 s HIS 298 Ca 0.11 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.70 3iu2 s HIS 298 Cb -0.10 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.50 3iu2 s HIS 298 CO 0.05 -0.04 -0.13 0.50 -0.85 0.00 0.00 174.74 174.26 3iu2 s ARG 299 N -0.44 2.40 0.18 1.40 6.06 0.89 -0.12 118.95 129.32 3iu2 s ARG 299 Ca 0.07 -1.09 -0.32 0.00 -2.50 0.00 0.00 55.73 51.90 3iu2 s ARG 299 Cb -0.08 -2.69 -0.11 0.00 0.06 0.00 0.00 34.95 32.13 3iu2 s ARG 299 CO -0.01 -0.44 1.64 -1.12 -2.50 0.00 0.00 175.30 172.87 3iu2 s SER 300 N 1.22 6.50 -0.09 -2.12 0.01 -1.26 -1.24 113.70 116.72 3iu2 s SER 300 Ca -0.03 2.71 0.01 0.00 1.31 0.00 0.00 55.95 59.95 3iu2 s SER 300 Cb -0.17 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 3iu2 s SER 300 CO -0.08 -0.89 -0.08 0.18 0.41 0.00 0.00 173.24 172.79 3iu2 n LEU 301 N 4.06 2.76 -3.65 2.44 4.77 -0.47 -4.83 117.00 122.08 3iu2 n LEU 301 Ca 0.15 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3iu2 n LEU 301 Cb 0.37 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3iu2 n LEU 301 CO 0.62 0.62 -0.01 -3.20 -1.33 0.00 0.00 177.39 174.10 3iu2 n ASN 302 N -2.74 3.06 0.10 -1.43 2.85 -0.48 -4.96 115.26 111.65 3iu2 n ASN 302 Ca -0.17 -3.25 0.04 0.00 -0.11 0.00 0.00 54.58 51.10 3iu2 n ASN 302 Cb 0.69 -0.71 0.46 0.00 1.24 0.00 0.00 39.78 41.46 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 4.83 0.31 -0.68 1.20 0.13 -1.88 -2.05 132.00 133.86 3iu2 h PRO 303 Ca 0.17 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.30 3iu2 h PRO 303 Cb 0.73 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 3iu2 h PRO 303 CO 0.74 0.28 0.42 -0.09 -0.23 0.00 0.00 178.00 179.13 3iu2 h ARG 304 N 0.31 0.80 -0.23 0.86 2.43 -1.94 -0.78 114.38 115.83 3iu2 h ARG 304 Ca 0.08 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 3iu2 h ARG 304 Cb 0.11 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3iu2 h ARG 304 CO -0.01 0.53 -0.47 -0.22 -1.51 0.00 0.00 179.97 178.30 3iu2 h LYS 305 N 0.83 0.72 -0.97 0.20 3.64 -1.81 -2.12 116.57 117.06 3iu2 h LYS 305 Ca 0.28 -0.47 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3iu2 h LYS 305 Cb 0.03 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 3iu2 h LYS 305 CO -0.11 1.09 0.63 -0.07 -2.27 0.00 0.00 179.45 178.72 3iu2 h LEU 306 N 0.44 1.03 -0.27 5.20 3.38 -1.19 -2.07 115.31 121.84 3iu2 h LEU 306 Ca 0.01 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3iu2 h LEU 306 Cb 1.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3iu2 h LEU 306 CO 0.10 0.69 -0.50 0.40 0.09 0.00 0.00 178.44 179.23 3iu2 h ILE 307 N 1.19 1.29 -0.29 1.22 2.04 -1.13 0.25 117.51 122.08 3iu2 h ILE 307 Ca 0.40 -1.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 3iu2 h ILE 307 Cb 0.07 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3iu2 h ILE 307 CO -0.13 0.54 -0.13 1.05 0.00 0.00 0.00 178.15 179.48 3iu2 h GLU 308 N 0.56 0.48 -0.29 2.37 4.11 -1.02 -2.29 114.58 118.51 3iu2 h GLU 308 Ca 0.01 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.30 3iu2 h GLU 308 Cb 1.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3iu2 h GLU 308 CO 0.11 0.61 0.00 1.33 0.07 0.00 0.00 179.01 181.13 3iu2 n VAL 309 N -4.20 0.38 -2.06 -1.06 0.24 -0.81 -4.95 118.33 105.87 3iu2 n VAL 309 Ca 0.00 -0.51 -0.18 0.00 -2.04 0.00 0.00 64.34 61.62 3iu2 n VAL 309 Cb 0.32 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.73 -1.35 -0.16 7.34 4.76 -0.86 -4.88 118.16 123.74 3iu2 n LYS 310 Ca 0.17 0.95 -0.11 0.00 -2.87 0.00 0.00 58.31 56.44 3iu2 n LYS 310 Cb 0.41 -5.36 -0.00 0.00 -1.84 0.00 0.00 35.03 28.24 3iu2 n LYS 310 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3iu2 h PHE 311 N 0.00 1.09 -2.11 2.13 3.57 -0.81 -3.46 116.94 117.36 3iu2 h PHE 311 Ca -0.40 -0.25 -0.60 0.00 3.53 0.00 0.00 57.97 60.25 3iu2 h PHE 311 Cb 1.26 -0.26 -0.14 0.00 2.79 0.00 0.00 35.95 39.60 3iu2 h PHE 311 CO 0.48 1.06 -0.70 -1.12 -2.23 0.00 0.00 178.31 175.80 3iu2 s SER 312 N -6.63 3.57 0.12 0.41 0.01 -0.68 -4.99 113.70 105.50 3iu2 s SER 312 Ca -0.12 -1.15 0.10 0.00 1.31 0.00 0.00 55.95 56.09 3iu2 s SER 312 Cb 0.12 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3iu2 s SER 312 CO 0.86 -0.15 -0.24 -1.38 0.41 0.00 0.00 173.24 172.73 3iu2 s HIS 313 N -2.63 2.10 0.06 2.43 -3.43 -1.26 -4.23 115.29 108.32 3iu2 s HIS 313 Ca 0.31 -0.40 -0.31 0.00 -0.80 0.00 0.00 55.06 53.87 3iu2 s HIS 313 Cb 0.01 -1.14 -0.08 0.00 -1.43 0.00 0.00 32.58 29.94 3iu2 s HIS 313 CO 0.15 0.29 1.59 -0.51 -2.00 0.00 0.00 174.74 174.27 3iu2 s LEU 314 N -2.02 4.36 0.54 5.38 1.43 -1.26 -4.98 118.68 122.12 3iu2 s LEU 314 Ca 0.11 2.41 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 3iu2 s LEU 314 Cb -0.10 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 3iu2 s LEU 314 CO 0.05 -0.85 0.86 -1.20 0.23 0.00 0.00 176.35 175.44 3iu2 n SER 315 N 5.44 0.41 -0.32 2.29 7.64 -1.26 -4.89 113.62 122.93 3iu2 n SER 315 Ca 0.15 0.85 -0.08 0.00 1.01 0.00 0.00 58.87 60.80 3iu2 n SER 315 Cb 0.41 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 3iu2 n SER 315 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3iu2 h ARG 316 N 0.72 -0.11 -0.78 1.43 3.08 -2.03 -2.68 114.38 114.02 3iu2 h ARG 316 Ca -0.46 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.07 3iu2 h ARG 316 Cb 1.37 0.02 -0.31 0.00 0.08 0.00 0.00 29.97 31.13 3iu2 h ARG 316 CO 0.52 -0.07 0.04 0.09 -1.07 0.00 0.00 179.97 179.47 3iu2 n ASN 317 N -5.36 5.42 -3.94 7.04 5.03 -1.26 -4.95 115.26 117.23 3iu2 n ASN 317 Ca 0.03 -3.77 -0.22 0.00 0.87 0.00 0.00 54.58 51.50 3iu2 n ASN 317 Cb 0.33 -0.66 -0.16 0.00 -1.02 0.00 0.00 39.78 38.26 3iu2 n ASN 317 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3iu2 s MET 318 N -3.60 1.16 0.80 3.52 1.75 -1.01 -5.15 119.30 116.76 3iu2 s MET 318 Ca 0.55 -0.22 -0.12 0.00 -1.25 0.00 0.00 55.69 54.65 3iu2 s MET 318 Cb 0.45 -1.05 0.07 0.00 2.84 0.00 0.00 34.83 37.14 3iu2 s MET 318 CO 0.02 -0.04 1.17 0.95 -0.65 0.00 0.00 175.02 176.46 3iu2 s THR 319 N 0.81 2.23 0.12 10.11 -4.23 -1.26 -4.53 115.64 118.89 3iu2 s THR 319 Ca -0.13 0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 3iu2 s THR 319 Cb -0.15 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 3iu2 s THR 319 CO 0.02 -0.10 1.68 -0.03 -0.54 0.00 0.00 174.62 175.65 3iu2 h MET 320 N -1.01 0.50 -0.68 3.99 4.05 -1.99 -0.37 114.93 119.41 3iu2 h MET 320 Ca -0.46 -0.08 0.08 0.00 -0.28 0.00 0.00 59.70 58.95 3iu2 h MET 320 Cb 1.32 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.97 3iu2 h MET 320 CO 0.66 0.47 0.36 0.37 0.23 0.00 0.00 176.91 179.00 3iu2 h GLN 321 N 0.40 0.62 -0.62 0.39 4.15 -1.99 -0.44 115.11 117.61 3iu2 h GLN 321 Ca 0.11 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 3iu2 h GLN 321 Cb 0.15 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3iu2 h GLN 321 CO -0.01 0.41 0.15 -0.09 -1.93 0.00 0.00 178.83 177.36 3iu2 h ARG 322 N 0.64 0.98 -0.39 1.69 9.65 -1.87 -1.80 114.38 123.27 3iu2 h ARG 322 Ca 0.32 -0.22 -0.09 0.00 -1.10 0.00 0.00 59.98 58.90 3iu2 h ARG 322 Cb 0.27 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3iu2 h ARG 322 CO -0.22 0.87 -0.10 1.15 2.80 0.00 0.00 179.97 184.46 3iu2 h THR 323 N 0.93 1.28 -0.75 0.20 2.02 -0.27 -1.29 112.91 115.03 3iu2 h THR 323 Ca 0.20 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3iu2 h THR 323 Cb 0.33 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3iu2 h THR 323 CO 0.00 0.40 0.25 0.24 0.37 0.00 0.00 175.52 176.78 3iu2 h MET 324 N 0.57 1.14 -0.39 6.66 2.86 -1.01 -2.46 114.93 122.30 3iu2 h MET 324 Ca 0.10 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3iu2 h MET 324 Cb 0.63 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 3iu2 h MET 324 CO 0.04 0.96 0.18 0.87 1.06 0.00 0.00 176.91 180.02 3iu2 h LYS 325 N 1.10 0.36 -0.53 1.72 1.79 -1.15 -1.98 116.57 117.88 3iu2 h LYS 325 Ca 0.24 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 3iu2 h LYS 325 Cb 0.27 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 3iu2 h LYS 325 CO -0.01 0.24 0.28 1.25 -1.08 0.00 0.00 179.45 180.13 3iu2 h LEU 326 N 0.37 0.41 -1.25 2.94 5.85 -0.88 -3.05 115.31 119.69 3iu2 h LEU 326 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3iu2 h LEU 326 Cb 0.10 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3iu2 h LEU 326 CO -0.14 0.28 0.00 -1.22 -0.34 0.00 0.00 178.44 177.02 3iu2 n TYR 327 N -4.86 0.05 -1.99 1.25 4.01 -0.96 -4.95 117.16 109.70 3iu2 n TYR 327 Ca 0.05 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 3iu2 n TYR 327 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.95 4.26 0.23 -0.72 3.52 -0.76 -4.89 118.95 118.64 3iu2 s ARG 328 Ca 0.35 2.35 0.11 0.00 -0.13 0.00 0.00 55.73 58.41 3iu2 s ARG 328 Cb 0.20 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 3iu2 s ARG 328 CO 0.32 -0.37 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.72 3iu2 s LEU 329 N -1.30 2.56 0.81 -0.88 1.43 -1.26 -5.07 118.68 114.97 3iu2 s LEU 329 Ca 0.54 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 3iu2 s LEU 329 Cb -0.42 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3iu2 s LEU 329 CO 0.52 0.08 0.70 -2.65 0.23 0.00 0.00 176.35 175.23 3iu2 n PRO 330 N -0.17 0.10 0.14 1.29 -0.02 -1.26 -4.94 135.00 130.15 3iu2 n PRO 330 Ca -0.09 0.09 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3iu2 n PRO 330 Cb 0.58 -2.03 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 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 -0.86 0.00 -5.00 -0.52 5.08 -2.00 -3.46 114.58 107.81 3iu2 h GLU 331 Ca -0.45 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.54 3iu2 h GLU 331 Cb 1.31 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.34 3iu2 h GLU 331 CO 0.41 0.29 -0.77 0.99 -1.00 0.00 0.00 179.01 178.93 3iu2 s THR 332 N -3.06 0.87 0.62 1.13 2.01 -1.26 -4.93 115.64 111.01 3iu2 s THR 332 Ca 0.03 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 3iu2 s THR 332 Cb 0.07 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3iu2 s THR 332 CO 0.74 -0.19 1.23 -2.84 -0.69 0.00 0.00 174.62 172.87 3iu2 s PRO 333 N -1.40 2.80 0.07 4.92 0.02 -1.26 -4.98 135.00 135.17 3iu2 s PRO 333 Ca -0.03 1.89 0.22 0.00 0.02 0.00 0.00 61.00 63.09 3iu2 s PRO 333 Cb -0.09 -1.90 -0.18 0.00 0.02 0.00 0.00 34.50 32.35 3iu2 s PRO 333 CO 0.01 -1.36 0.74 0.36 -0.33 0.00 0.00 177.00 176.43 3iu2 n LYS 334 N -1.76 0.62 -2.19 5.54 2.85 -1.26 -4.95 118.16 117.00 3iu2 n LYS 334 Ca 0.14 -0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 3iu2 n LYS 334 Cb 0.49 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 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 -3.44 3.52 0.09 0.58 2.01 -1.26 -4.95 115.64 112.19 3iu2 s THR 335 Ca -0.04 1.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 3iu2 s THR 335 Cb 0.12 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 3iu2 s THR 335 CO 0.85 0.04 1.69 0.00 -0.69 0.00 0.00 174.62 176.51 3iu2 s ALA 336 N 1.80 3.72 0.00 7.40 0.00 -1.26 -3.14 121.76 130.27 3iu2 s ALA 336 Ca 0.65 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3iu2 s ALA 336 Cb -0.34 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3iu2 s ALA 336 CO 0.29 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3iu2 n GLY 337 N 4.03 0.72 3.75 0.00 0.00 -1.26 -4.65 105.19 107.77 3iu2 n GLY 337 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.45 0.14 0.99 2.96 -1.19 -1.25 118.68 124.79 3iu2 s LEU 338 Ca 0.00 2.37 -0.24 0.00 -0.22 0.00 0.00 54.13 56.04 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 -0.41 0.63 0.00 -1.32 0.00 0.00 176.35 175.26 3iu2 s ARG 339 N -0.68 1.23 0.50 1.98 1.70 -0.49 -4.96 118.95 118.22 3iu2 s ARG 339 Ca 0.52 -0.45 -0.23 0.00 -0.47 0.00 0.00 55.73 55.10 3iu2 s ARG 339 Cb -0.35 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 3iu2 s ARG 339 CO 0.41 -0.54 1.34 -2.30 -1.08 0.00 0.00 175.30 173.13 3iu2 n PRO 340 N -0.36 1.84 -1.78 3.89 -0.02 -1.26 -0.60 135.00 136.71 3iu2 n PRO 340 Ca -0.16 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3iu2 n PRO 340 Cb 0.65 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3iu2 n PRO 340 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3iu2 n MET 341 N -0.58 2.66 -4.54 -0.52 1.56 -0.35 -4.65 117.12 110.69 3iu2 n MET 341 Ca 0.08 0.93 -0.25 0.00 -0.27 0.00 0.00 57.70 58.19 3iu2 n MET 341 Cb 0.43 -2.67 -0.10 0.00 2.15 0.00 0.00 33.22 33.03 3iu2 n MET 341 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3iu2 s GLU 342 N -2.13 1.84 0.25 2.12 2.02 -1.26 -4.66 118.70 116.88 3iu2 s GLU 342 Ca 0.54 -2.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 3iu2 s GLU 342 Cb -0.47 -1.14 0.46 0.00 0.10 0.00 0.00 34.13 33.08 3iu2 s GLU 342 CO 0.64 -0.20 1.76 1.15 0.02 0.00 0.00 175.26 178.62 3iu2 h THR 343 N 1.88 0.73 0.00 3.63 2.02 -2.03 -1.16 112.91 117.98 3iu2 h THR 343 Ca -0.41 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3iu2 h THR 343 Cb 1.25 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3iu2 h THR 343 CO 0.72 0.10 0.00 0.07 0.37 0.00 0.00 175.52 176.78 3iu2 h LYS 344 N 0.56 0.00 0.00 6.66 2.10 -2.02 -1.96 116.57 121.91 3iu2 h LYS 344 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3iu2 h LYS 344 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3iu2 h LYS 344 CO -0.35 0.00 -0.26 -0.25 -2.00 0.00 0.00 179.45 176.59 3iu2 n ASP 345 N -2.84 0.30 -0.12 7.07 8.00 -0.44 -4.41 116.55 124.11 3iu2 n ASP 345 Ca -0.02 0.15 -0.05 0.00 0.71 0.00 0.00 54.79 55.59 3iu2 n ASP 345 Cb 0.09 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.57 0.53 2.04 -1.43 -0.41 117.51 118.34 3iu2 h ILE 346 Ca 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3iu2 h ILE 346 Cb 0.53 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3iu2 h ILE 346 CO 0.00 0.01 0.21 -0.65 0.00 0.00 0.00 178.15 177.72 3iu2 h PRO 347 N 0.06 0.87 -0.16 2.37 0.11 -1.82 -1.90 132.00 131.53 3iu2 h PRO 347 Ca 0.19 -0.17 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3iu2 h PRO 347 Cb 0.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3iu2 h PRO 347 CO -0.35 0.76 -0.52 -0.24 -0.21 0.00 0.00 178.00 177.44 3iu2 h VAL 348 N 0.79 1.33 -0.85 3.15 3.04 -1.75 -0.82 116.25 121.14 3iu2 h VAL 348 Ca 0.19 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 64.08 3iu2 h VAL 348 Cb 0.23 1.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 3iu2 h VAL 348 CO -0.01 0.54 0.44 0.58 -1.01 0.00 0.00 177.57 178.11 3iu2 h VAL 349 N 0.35 1.25 -0.45 1.51 2.07 -0.99 0.49 116.25 120.48 3iu2 h VAL 349 Ca 0.01 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3iu2 h VAL 349 Cb 1.03 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3iu2 h VAL 349 CO 0.09 0.30 0.15 -0.74 0.02 0.00 0.00 177.57 177.39 3iu2 h HIS 350 N 1.20 0.72 -0.25 1.57 6.17 -0.97 -1.73 115.15 121.86 3iu2 h HIS 350 Ca 0.30 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.29 3iu2 h HIS 350 Cb 0.07 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 3iu2 h HIS 350 CO 0.01 0.64 0.10 0.37 0.71 0.00 0.00 177.93 179.76 3iu2 h GLN 351 N 0.59 0.37 -0.46 5.26 4.15 -0.79 -2.03 115.11 122.20 3iu2 h GLN 351 Ca 0.15 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.51 3iu2 h GLN 351 Cb 0.25 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3iu2 h GLN 351 CO -0.01 0.40 0.30 -0.07 -1.93 0.00 0.00 178.83 177.53 3iu2 h LEU 352 N 0.26 0.53 -0.47 -2.39 3.38 -0.84 -2.59 115.31 113.18 3iu2 h LEU 352 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3iu2 h LEU 352 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3iu2 h LEU 352 CO -0.01 0.38 -0.04 0.25 0.09 0.00 0.00 178.44 179.11 3iu2 h LEU 353 N 0.62 0.85 -0.27 1.67 5.85 -1.24 -1.74 115.31 121.04 3iu2 h LEU 353 Ca 0.17 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3iu2 h LEU 353 Cb -0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3iu2 h LEU 353 CO -0.04 0.97 0.14 0.74 -0.34 0.00 0.00 178.44 179.91 3iu2 h THR 354 N 0.70 1.14 -0.46 1.05 2.02 -1.26 -1.32 112.91 114.78 3iu2 h THR 354 Ca 0.13 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3iu2 h THR 354 Cb 0.56 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3iu2 h THR 354 CO 0.03 0.14 0.19 -0.09 0.37 0.00 0.00 175.52 176.16 3iu2 h ARG 355 N 0.32 0.69 -0.83 6.66 2.43 -1.45 -3.19 114.38 119.00 3iu2 h ARG 355 Ca 0.09 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3iu2 h ARG 355 Cb 0.09 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3iu2 h ARG 355 CO -0.01 0.62 0.47 -0.92 -1.51 0.00 0.00 179.97 178.62 3iu2 h TYR 356 N 0.61 1.11 0.00 2.20 3.20 -0.97 -2.81 116.97 120.31 3iu2 h TYR 356 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3iu2 h TYR 356 Cb 0.18 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3iu2 h TYR 356 CO 0.00 0.76 0.00 1.28 -1.64 0.00 0.00 178.16 178.56 3iu2 n LEU 357 N -4.35 0.66 0.31 2.82 4.77 -0.53 -3.60 117.00 117.08 3iu2 n LEU 357 Ca 0.09 0.61 0.18 0.00 -0.03 0.00 0.00 56.01 56.86 3iu2 n LEU 357 Cb 0.08 -0.46 1.02 0.00 -2.33 0.00 0.00 43.42 41.73 3iu2 n LEU 357 CO 0.38 -0.35 1.15 0.11 -1.33 0.00 0.00 177.39 177.35 3iu2 h LYS 358 N 0.00 0.00 0.00 3.23 1.57 -1.55 -2.02 116.57 117.80 3iu2 h LYS 358 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iu2 h LYS 358 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3iu2 h LYS 358 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3iu2 n GLN 359 N -3.58 0.05 -3.67 3.15 10.64 -1.24 -4.84 117.38 117.88 3iu2 n GLN 359 Ca -0.03 0.08 -0.20 0.00 -1.83 0.00 0.00 57.00 55.02 3iu2 n GLN 359 Cb 0.09 -1.56 -0.02 0.00 -0.86 0.00 0.00 30.24 27.88 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 -3.03 3.02 -0.47 2.61 0.08 -0.76 -4.98 117.98 114.45 3iu2 s PHE 360 Ca 0.12 -0.25 0.22 0.00 0.12 0.00 0.00 56.93 57.14 3iu2 s PHE 360 Cb 0.16 -1.87 -0.25 0.00 -0.57 0.00 0.00 43.02 40.50 3iu2 s PHE 360 CO 0.50 0.12 0.72 0.72 -0.10 0.00 0.00 175.22 177.17 3iu2 n HIS 361 N -1.49 0.05 -3.66 0.36 8.25 0.16 -4.82 115.22 114.07 3iu2 n HIS 361 Ca -0.01 0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 3iu2 n HIS 361 Cb 0.59 -0.31 -0.17 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.88 0.61 0.07 2.41 2.96 -1.18 -1.16 118.68 118.51 3iu2 s LEU 362 Ca -0.00 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 3iu2 s LEU 362 Cb 0.15 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 3iu2 s LEU 362 CO 0.88 -0.32 0.15 0.42 -1.32 0.00 0.00 176.35 176.16 3iu2 s THR 363 N 2.04 0.15 0.54 3.68 -4.23 -0.39 -0.13 115.64 117.30 3iu2 s THR 363 Ca 0.01 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.15 3iu2 s THR 363 Cb -0.16 -1.26 -0.07 0.00 1.34 0.00 0.00 72.50 72.35 3iu2 s THR 363 CO -0.08 -0.68 0.99 -2.16 -0.54 0.00 0.00 174.62 172.15 3iu2 s PRO 364 N -3.57 3.85 -0.32 3.99 0.04 -1.26 -0.69 135.00 137.05 3iu2 s PRO 364 Ca 0.03 0.88 0.01 0.00 0.04 0.00 0.00 61.00 61.96 3iu2 s PRO 364 Cb 0.04 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.52 3iu2 s PRO 364 CO -0.09 -0.33 0.02 0.08 0.04 0.00 0.00 177.00 176.71 3iu2 s VAL 365 N -2.75 2.59 -0.16 -0.36 1.01 0.05 -4.74 120.40 116.05 3iu2 s VAL 365 Ca 0.57 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 3iu2 s VAL 365 Cb -0.10 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3iu2 s VAL 365 CO 0.37 -0.33 0.10 -0.04 0.00 0.00 0.00 175.10 175.20 3iu2 s MET 366 N 1.09 3.77 1.03 2.72 -1.94 -1.26 -4.35 119.30 120.35 3iu2 s MET 366 Ca 0.01 -0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 53.60 3iu2 s MET 366 Cb -0.20 -3.22 0.20 0.00 2.01 0.00 0.00 34.83 33.63 3iu2 s MET 366 CO -0.05 0.47 1.09 -1.54 -0.01 0.00 0.00 175.02 174.99 3iu2 s SER 367 N -0.17 2.38 0.30 3.03 1.04 -1.26 -4.84 113.70 114.17 3iu2 s SER 367 Ca 0.09 1.14 0.03 0.00 0.48 0.00 0.00 55.95 57.69 3iu2 s SER 367 Cb -0.12 -1.79 0.48 0.00 0.10 0.00 0.00 66.02 64.69 3iu2 s SER 367 CO 0.01 -3.28 1.79 -0.61 0.98 0.00 0.00 173.24 172.13 3iu2 h GLN 368 N -1.99 0.54 -0.52 4.02 4.15 -1.99 -1.01 115.11 118.31 3iu2 h GLN 368 Ca -0.55 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 58.65 3iu2 h GLN 368 Cb 1.33 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 3iu2 h GLN 368 CO 0.57 0.65 0.07 0.93 -1.93 0.00 0.00 178.83 179.12 3iu2 h GLU 369 N 0.50 0.83 -0.38 1.69 4.39 -1.99 -1.65 114.58 117.97 3iu2 h GLU 369 Ca 0.09 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 3iu2 h GLU 369 Cb 0.50 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3iu2 h GLU 369 CO 0.03 0.78 -0.27 0.93 -1.16 0.00 0.00 179.01 179.32 3iu2 h GLU 370 N 0.79 0.80 -0.69 2.33 5.08 -1.78 -1.88 114.58 119.22 3iu2 h GLU 370 Ca 0.16 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3iu2 h GLU 370 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3iu2 h GLU 370 CO 0.01 0.98 0.28 0.28 -1.00 0.00 0.00 179.01 179.56 3iu2 h VAL 371 N 0.69 1.24 -0.36 3.13 2.07 -0.99 0.17 116.25 122.20 3iu2 h VAL 371 Ca 0.08 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3iu2 h VAL 371 Cb 0.81 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3iu2 h VAL 371 CO 0.07 0.30 0.22 -0.08 0.02 0.00 0.00 177.57 178.10 3iu2 h GLU 372 N 0.98 0.43 0.02 1.57 4.81 -1.11 -1.28 114.58 120.00 3iu2 h GLU 372 Ca 0.23 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3iu2 h GLU 372 Cb 0.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3iu2 h GLU 372 CO -0.02 0.29 -0.01 1.25 -0.73 0.00 0.00 179.01 179.79 3iu2 h HIS 373 N 0.45 -0.03 0.00 0.92 2.76 -0.91 -2.34 115.15 116.00 3iu2 h HIS 373 Ca 0.14 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3iu2 h HIS 373 Cb -0.01 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3iu2 h HIS 373 CO -0.07 0.06 -0.30 -1.49 -1.30 0.00 0.00 177.93 174.84 3iu2 h TRP 374 N -0.11 0.00 0.00 5.26 -0.00 -0.84 -3.39 115.95 116.87 3iu2 h TRP 374 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.85 3iu2 h TRP 374 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 3iu2 h TRP 374 CO -0.05 0.30 -1.16 1.19 -0.00 0.00 0.00 178.44 178.72 3iu2 n PHE 375 N -3.25 0.00 -1.68 0.49 3.72 -0.50 -4.99 117.46 111.26 3iu2 n PHE 375 Ca 0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.97 3iu2 n PHE 375 Cb 0.59 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.97 2.49 -1.82 1.38 9.36 -0.88 -4.27 117.16 121.45 3iu2 n TYR 376 Ca -0.03 -0.05 -0.41 0.00 3.32 0.00 0.00 57.90 60.73 3iu2 n TYR 376 Cb 0.46 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.47 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 2.74 4.14 -0.09 2.98 0.02 -1.26 -4.90 135.00 138.64 3iu2 s PRO 377 Ca 0.84 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 64.39 3iu2 s PRO 377 Cb -0.56 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 30.96 3iu2 s PRO 377 CO 0.41 -0.57 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.80 3iu2 s GLN 378 N -0.91 1.23 0.17 5.54 -0.21 -0.43 -5.00 119.66 120.05 3iu2 s GLN 378 Ca 0.60 -0.17 -0.33 0.00 0.02 0.00 0.00 55.36 55.48 3iu2 s GLN 378 Cb -0.46 -1.31 -0.15 0.00 1.00 0.00 0.00 33.01 32.09 3iu2 s GLN 378 CO 0.51 -0.21 1.42 -0.85 -2.12 0.00 0.00 175.29 174.04 3iu2 n GLU 379 N 4.72 1.76 -1.38 2.91 -0.00 -1.26 -1.65 120.64 125.74 3iu2 n GLU 379 Ca -0.14 0.63 -0.13 0.00 -0.00 0.00 0.00 57.16 57.52 3iu2 n GLU 379 Cb 0.50 -2.30 -0.06 0.00 -0.00 0.00 0.00 31.44 29.59 3iu2 n GLU 379 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3iu2 n ASN 380 N 2.65 -4.73 0.06 -1.84 3.02 -1.26 -4.77 115.26 108.38 3iu2 n ASN 380 Ca 0.15 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 3iu2 n ASN 380 Cb 0.27 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -2.57 0.17 -3.88 2.41 5.41 -0.66 -4.66 119.36 115.59 3iu2 n ILE 381 Ca -0.13 0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 3iu2 n ILE 381 Cb 0.46 -0.55 -0.15 0.00 -0.71 0.00 0.00 39.64 38.69 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 -1.47 0.05 -0.08 1.39 1.10 -0.74 -0.51 121.20 120.95 3iu2 s ILE 382 Ca 0.00 0.05 0.04 0.00 -0.51 0.00 0.00 60.65 60.22 3iu2 s ILE 382 Cb 0.00 -0.10 0.00 0.00 0.15 0.00 0.00 42.46 42.51 3iu2 s ILE 382 CO 0.00 0.06 -0.20 -1.81 -2.11 0.00 0.00 174.94 170.88 3iu2 s ASP 383 N 0.41 2.56 -0.04 4.50 1.01 -0.41 -1.32 116.67 123.38 3iu2 s ASP 383 Ca -0.04 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.79 3iu2 s ASP 383 Cb -0.06 -1.07 0.02 0.00 1.01 0.00 0.00 42.92 42.82 3iu2 s ASP 383 CO -0.01 0.13 -0.04 -0.89 0.21 0.00 0.00 175.17 174.57 3iu2 s THR 384 N 0.36 0.47 -0.06 -1.27 2.01 -1.26 -1.40 115.64 114.49 3iu2 s THR 384 Ca -0.14 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.82 3iu2 s THR 384 Cb -0.16 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3iu2 s THR 384 CO 0.06 0.21 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.61 3iu2 s PHE 385 N 0.88 2.23 0.18 4.92 0.08 -0.18 -1.21 117.98 124.88 3iu2 s PHE 385 Ca -0.11 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.32 3iu2 s PHE 385 Cb -0.14 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3iu2 s PHE 385 CO 0.00 -0.21 0.11 0.14 -0.10 0.00 0.00 175.22 175.16 3iu2 s VAL 386 N -0.07 4.32 -0.38 -0.44 -7.23 0.23 -0.98 120.40 115.84 3iu2 s VAL 386 Ca -0.05 -1.19 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 3iu2 s VAL 386 Cb -0.13 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.62 3iu2 s VAL 386 CO 0.04 -0.14 0.23 -0.69 -0.31 0.00 0.00 175.10 174.23 3iu2 s VAL 387 N -1.79 4.77 -0.33 1.32 1.01 -0.15 -1.40 120.40 123.83 3iu2 s VAL 387 Ca 0.30 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3iu2 s VAL 387 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3iu2 s VAL 387 CO 0.23 -0.24 0.16 -0.70 0.00 0.00 0.00 175.10 174.54 3iu2 s GLU 388 N 1.59 3.16 0.33 2.72 2.12 -0.38 -1.10 118.70 127.14 3iu2 s GLU 388 Ca 0.03 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.46 3iu2 s GLU 388 Cb -0.19 -3.59 0.08 0.00 0.26 0.00 0.00 34.13 30.68 3iu2 s GLU 388 CO 0.08 -0.50 0.45 0.27 -0.54 0.00 0.00 175.26 175.02 3iu2 n ASN 389 N 4.97 0.05 0.22 -1.70 0.23 0.07 -4.31 115.26 114.79 3iu2 n ASN 389 Ca -0.13 -1.17 0.15 0.00 -0.53 0.00 0.00 54.58 52.90 3iu2 n ASN 389 Cb 0.48 -0.34 0.72 0.00 -2.08 0.00 0.00 39.78 38.56 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 -1.88 1.00 -0.29 -2.53 0.00 -1.93 -1.49 119.26 112.14 3iu2 h ALA 390 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iu2 h ALA 390 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iu2 h ALA 390 CO 0.10 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.44 3iu2 n ASN 391 N -2.65 3.02 0.00 0.00 3.02 -1.26 -4.95 115.26 112.44 3iu2 n ASN 391 Ca -0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3iu2 n ASN 391 Cb 0.17 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3iu2 n ASN 391 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iu2 n GLY 392 N 1.41 0.50 3.71 7.41 0.00 -0.56 -5.02 105.19 112.65 3iu2 n GLY 392 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3iu2 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iu2 s GLU 393 N -0.24 4.35 -0.34 1.61 2.02 -1.26 -4.76 118.70 120.09 3iu2 s GLU 393 Ca 0.00 0.64 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 3iu2 s GLU 393 Cb 0.00 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.78 3iu2 s GLU 393 CO 0.00 0.04 1.01 0.08 0.02 0.00 0.00 175.26 176.41 3iu2 s VAL 394 N 0.94 4.55 -0.16 2.63 1.01 -1.26 -0.75 120.40 127.36 3iu2 s VAL 394 Ca 0.31 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.86 3iu2 s VAL 394 Cb -0.16 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 3iu2 s VAL 394 CO 0.13 -0.48 0.20 0.35 0.00 0.00 0.00 175.10 175.29 3iu2 n THR 395 N 5.89 0.00 -3.61 3.92 -2.24 -0.26 -5.01 114.28 112.98 3iu2 n THR 395 Ca 0.10 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3iu2 n THR 395 Cb 0.48 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.03 -0.28 0.03 3.42 1.01 -1.25 -2.70 116.67 114.86 3iu2 s ASP 396 Ca 0.00 -0.25 -0.19 0.00 0.71 0.00 0.00 52.55 52.82 3iu2 s ASP 396 Cb 0.04 0.48 0.04 0.00 1.01 0.00 0.00 42.92 44.49 3iu2 s ASP 396 CO 0.24 -0.85 0.43 0.72 0.21 0.00 0.00 175.17 175.91 3iu2 s PHE 397 N -3.70 -0.29 0.11 4.23 -0.12 -0.32 -0.98 117.98 116.91 3iu2 s PHE 397 Ca 0.02 0.32 0.08 0.00 -0.05 0.00 0.00 56.93 57.30 3iu2 s PHE 397 Cb 0.01 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 3iu2 s PHE 397 CO -0.11 -0.55 -0.21 -0.48 -0.05 0.00 0.00 175.22 173.81 3iu2 s LEU 398 N -1.85 2.32 -0.06 -1.99 0.05 -0.15 -1.00 118.68 116.00 3iu2 s LEU 398 Ca -0.07 -0.71 -0.16 0.00 0.05 0.00 0.00 54.13 53.24 3iu2 s LEU 398 Cb -0.01 -0.90 0.03 0.00 -2.05 0.00 0.00 46.19 43.26 3iu2 s LEU 398 CO -0.00 0.05 0.37 -0.94 -0.55 0.00 0.00 176.35 175.28 3iu2 s SER 399 N -2.02 -0.31 -0.13 1.48 1.04 -1.13 -1.01 113.70 111.62 3iu2 s SER 399 Ca 0.08 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 56.72 3iu2 s SER 399 Cb -0.09 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.56 3iu2 s SER 399 CO 0.05 -0.37 0.43 0.72 0.98 0.00 0.00 173.24 175.05 3iu2 s PHE 400 N -0.84 -0.44 0.25 5.02 -0.12 -0.49 -1.28 117.98 120.09 3iu2 s PHE 400 Ca -0.09 1.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.86 3iu2 s PHE 400 Cb -0.04 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 3iu2 s PHE 400 CO 0.04 -0.28 0.31 1.52 -0.05 0.00 0.00 175.22 176.76 3iu2 s TYR 401 N -0.12 3.30 -0.23 3.49 -0.85 -0.56 -1.29 117.35 121.09 3iu2 s TYR 401 Ca -0.03 -0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.35 3iu2 s TYR 401 Cb -0.03 -1.55 -0.04 0.00 0.38 0.00 0.00 41.96 40.71 3iu2 s TYR 401 CO 0.02 0.43 0.13 0.99 -1.52 0.00 0.00 175.55 175.59 3iu2 s THR 402 N -2.05 5.08 -0.31 -3.49 2.01 0.33 -1.22 115.64 115.99 3iu2 s THR 402 Ca 0.35 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.43 3iu2 s THR 402 Cb -0.09 -3.36 0.14 0.00 0.01 0.00 0.00 72.50 69.21 3iu2 s THR 402 CO 0.28 0.36 0.32 -0.22 -0.69 0.00 0.00 174.62 174.67 3iu2 s LEU 403 N 1.03 -0.21 0.86 4.42 2.96 -0.87 -4.74 118.68 122.13 3iu2 s LEU 403 Ca 0.06 -0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 3iu2 s LEU 403 Cb -0.14 0.53 0.11 0.00 0.50 0.00 0.00 46.19 47.20 3iu2 s LEU 403 CO 0.04 -0.36 1.10 -2.84 -1.32 0.00 0.00 176.35 172.96 3iu2 s PRO 404 N 2.16 1.54 -0.03 0.98 0.02 -1.26 -3.70 135.00 134.72 3iu2 s PRO 404 Ca 0.11 0.73 0.04 0.00 0.02 0.00 0.00 61.00 61.90 3iu2 s PRO 404 Cb -0.14 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.53 3iu2 s PRO 404 CO -0.26 -2.02 -0.14 -1.12 -0.33 0.00 0.00 177.00 173.12 3iu2 s SER 405 N -3.62 1.81 0.25 2.53 0.01 0.29 -1.37 113.70 113.61 3iu2 s SER 405 Ca 0.62 -0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 3iu2 s SER 405 Cb -0.17 -0.46 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 3iu2 s SER 405 CO 0.56 0.13 1.31 -0.89 0.41 0.00 0.00 173.24 174.76 3iu2 s THR 406 N 0.04 3.02 -0.71 1.44 2.01 0.27 -0.38 115.64 121.33 3iu2 s THR 406 Ca -0.02 0.90 -0.25 0.00 0.31 0.00 0.00 61.69 62.62 3iu2 s THR 406 Cb -0.10 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 68.88 3iu2 s THR 406 CO 0.01 0.17 1.16 -0.63 -0.69 0.00 0.00 174.62 174.64 3iu2 s ILE 407 N -0.36 3.94 0.23 1.82 -1.09 -1.26 -2.81 121.20 121.67 3iu2 s ILE 407 Ca 0.54 0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 59.03 3iu2 s ILE 407 Cb -0.38 -4.83 0.19 0.00 -1.58 0.00 0.00 42.46 35.86 3iu2 s ILE 407 CO 0.43 -1.71 1.77 0.24 -1.23 0.00 0.00 174.94 174.44 3iu2 h MET 408 N 9.86 0.56 -0.93 2.79 2.86 -1.63 -3.49 114.93 124.95 3iu2 h MET 408 Ca -0.28 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 3iu2 h MET 408 Cb 1.06 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.52 3iu2 h MET 408 CO 1.24 0.37 0.14 -1.71 1.06 0.00 0.00 176.91 178.02 3iu2 n ASN 409 N -4.89 3.09 0.00 1.22 4.05 -1.26 -5.10 115.26 112.37 3iu2 n ASN 409 Ca 0.12 -2.51 0.00 0.00 0.45 0.00 0.00 54.58 52.64 3iu2 n ASN 409 Cb 0.31 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.71 3iu2 n ASN 409 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 3iu2 n HIS 413 N 0.03 0.00 -2.61 1.20 -0.00 -1.26 -5.20 115.22 107.38 3iu2 n HIS 413 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.55 3iu2 n HIS 413 Cb 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.75 3iu2 n HIS 413 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 3iu2 s LYS 414 N -4.16 3.99 0.83 -0.41 0.00 -1.26 -4.85 119.74 113.88 3iu2 s LYS 414 Ca 0.00 1.34 -0.12 0.00 0.00 0.00 0.00 55.97 57.20 3iu2 s LYS 414 Cb 0.00 -2.23 0.10 0.00 0.00 0.00 0.00 37.83 35.70 3iu2 s LYS 414 CO 0.00 -0.27 1.15 -1.12 0.00 0.00 0.00 175.35 175.12 3iu2 s SER 415 N -1.92 3.62 -0.16 0.03 0.01 -1.26 -4.77 113.70 109.25 3iu2 s SER 415 Ca 0.64 2.17 -0.29 0.00 1.31 0.00 0.00 55.95 59.78 3iu2 s SER 415 Cb -0.16 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 3iu2 s SER 415 CO 0.20 -2.64 1.14 -0.22 0.41 0.00 0.00 173.24 172.13 3iu2 s LEU 416 N -6.02 4.18 -0.32 2.44 0.20 0.49 -4.87 118.68 114.79 3iu2 s LEU 416 Ca 0.68 1.58 -0.19 0.00 0.69 0.00 0.00 54.13 56.89 3iu2 s LEU 416 Cb -0.24 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 41.97 3iu2 s LEU 416 CO 0.53 -0.65 0.56 -0.75 -0.29 0.00 0.00 176.35 175.75 3iu2 s LYS 417 N 2.96 3.82 -0.01 1.98 2.20 -1.26 -0.54 119.74 128.89 3iu2 s LYS 417 Ca 0.50 0.12 0.07 0.00 -0.36 0.00 0.00 55.97 56.30 3iu2 s LYS 417 Cb -0.19 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 3iu2 s LYS 417 CO 0.13 -0.56 -0.23 0.00 -0.36 0.00 0.00 175.35 174.33 3iu2 s ALA 418 N 2.48 2.33 -0.06 3.13 0.00 -1.24 -0.21 121.76 128.20 3iu2 s ALA 418 Ca 0.22 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 3iu2 s ALA 418 Cb -0.15 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3iu2 s ALA 418 CO 0.12 0.54 0.02 0.00 0.00 0.00 0.00 175.76 176.45 3iu2 s ALA 419 N -0.71 3.38 -0.17 0.00 0.00 -0.67 -2.04 121.76 121.54 3iu2 s ALA 419 Ca 0.11 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3iu2 s ALA 419 Cb -0.10 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3iu2 s ALA 419 CO 0.01 0.62 -0.19 0.71 0.00 0.00 0.00 175.76 176.91 3iu2 s TYR 420 N -0.98 2.65 0.17 0.00 2.02 -0.35 0.05 117.35 120.90 3iu2 s TYR 420 Ca 0.16 -1.54 -0.34 0.00 -0.37 0.00 0.00 57.07 54.99 3iu2 s TYR 420 Cb -0.12 -1.85 -0.14 0.00 -0.40 0.00 0.00 41.96 39.46 3iu2 s TYR 420 CO 0.06 -0.77 1.49 0.45 -1.57 0.00 0.00 175.55 175.21 3iu2 n SER 421 N 4.61 2.76 0.00 2.29 2.88 0.61 -1.49 113.62 125.28 3iu2 n SER 421 Ca -0.20 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3iu2 n SER 421 Cb 0.50 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 2.86 0.00 -4.77 0.66 7.35 -0.40 -4.87 117.46 118.29 3iu2 n PHE 422 Ca 0.16 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.52 3iu2 n PHE 422 Cb 0.28 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 1.50 2.79 -0.16 -5.13 2.02 -1.26 -4.90 117.35 112.21 3iu2 s TYR 423 Ca 0.00 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 3iu2 s TYR 423 Cb 0.00 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3iu2 s TYR 423 CO 0.00 -0.26 -0.10 -0.80 -1.57 0.00 0.00 175.55 172.83 3iu2 s ASN 424 N 0.42 2.85 -0.13 2.29 0.01 -1.26 -2.84 114.94 116.28 3iu2 s ASN 424 Ca -0.11 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.43 3iu2 s ASN 424 Cb -0.16 -1.07 -0.01 0.00 0.41 0.00 0.00 41.25 40.43 3iu2 s ASN 424 CO 0.05 -0.13 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.66 3iu2 s VAL 425 N 1.54 2.69 -0.05 1.60 1.01 -0.17 -5.01 120.40 122.00 3iu2 s VAL 425 Ca 0.02 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3iu2 s VAL 425 Cb -0.14 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 3iu2 s VAL 425 CO -0.09 0.53 -0.18 -1.38 0.00 0.00 0.00 175.10 173.98 3iu2 s HIS 426 N 0.50 1.87 0.00 5.22 -3.43 -1.26 -1.17 115.29 117.01 3iu2 s HIS 426 Ca -0.11 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 3iu2 s HIS 426 Cb -0.16 -1.26 0.00 0.00 -1.43 0.00 0.00 32.58 29.72 3iu2 s HIS 426 CO 0.05 -0.22 0.00 0.25 -2.00 0.00 0.00 174.74 172.82 3iu2 n THR 427 N 3.26 0.00 0.00 -5.38 -2.24 -1.10 -4.95 114.28 103.87 3iu2 n THR 427 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3iu2 n THR 427 Cb 0.53 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.23 3.41 -3.85 -0.78 1.13 -1.26 -5.05 117.38 109.76 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 0.17 -0.43 -0.08 0.00 0.11 0.00 0.00 30.24 30.01 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 -0.42 5.31 0.43 5.09 2.01 -1.26 -5.08 115.64 121.72 3iu2 s THR 429 Ca 0.00 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 3iu2 s THR 429 Cb 0.00 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 3iu2 s THR 429 CO 0.00 0.51 1.37 -2.65 -0.69 0.00 0.00 174.62 173.16 3iu2 n PRO 430 N 2.95 2.18 -0.30 4.92 -0.02 -1.26 -4.81 135.00 138.66 3iu2 n PRO 430 Ca -0.18 0.77 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3iu2 n PRO 430 Cb 0.53 -2.53 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.30 0.95 -0.59 2.45 5.85 -1.98 -1.08 115.31 123.22 3iu2 h LEU 431 Ca -0.49 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.26 3iu2 h LEU 431 Cb 1.28 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3iu2 h LEU 431 CO 0.61 0.65 0.33 0.25 -0.34 0.00 0.00 178.44 179.93 3iu2 h LEU 432 N 1.10 0.49 -0.47 2.25 5.85 -1.92 0.73 115.31 123.34 3iu2 h LEU 432 Ca 0.35 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 3iu2 h LEU 432 Cb 0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3iu2 h LEU 432 CO -0.11 0.33 0.06 0.44 -0.34 0.00 0.00 178.44 178.82 3iu2 h ASP 433 N 0.62 0.76 -0.32 1.25 5.19 -1.77 -1.34 116.42 120.81 3iu2 h ASP 433 Ca 0.26 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3iu2 h ASP 433 Cb 0.14 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 3iu2 h ASP 433 CO -0.16 0.84 0.21 0.25 -3.12 0.00 0.00 179.24 177.26 3iu2 h LEU 434 N 0.65 0.37 -0.73 1.55 5.85 -0.65 -2.17 115.31 120.19 3iu2 h LEU 434 Ca 0.14 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3iu2 h LEU 434 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3iu2 h LEU 434 CO 0.01 0.28 -0.57 0.24 -0.34 0.00 0.00 178.44 178.06 3iu2 h MET 435 N 0.43 0.19 -0.52 1.25 2.86 -0.85 -1.83 114.93 116.46 3iu2 h MET 435 Ca 0.12 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3iu2 h MET 435 Cb -0.04 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 3iu2 h MET 435 CO -0.02 0.71 0.24 1.03 1.06 0.00 0.00 176.91 179.93 3iu2 h SER 436 N 0.15 0.33 0.02 1.22 0.87 -1.05 -1.64 113.55 113.44 3iu2 h SER 436 Ca -0.00 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3iu2 h SER 436 Cb 1.05 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3iu2 h SER 436 CO 0.09 0.22 -0.26 0.44 -0.53 0.00 0.00 176.83 176.79 3iu2 h ASP 437 N 0.47 0.38 -0.51 6.23 3.32 -1.16 -2.21 116.42 122.94 3iu2 h ASP 437 Ca 0.24 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3iu2 h ASP 437 Cb 0.18 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3iu2 h ASP 437 CO -0.19 0.64 0.34 0.00 -1.72 0.00 0.00 179.24 178.31 3iu2 h ALA 438 N 1.39 0.65 -0.65 3.45 0.00 -0.89 0.12 119.26 123.33 3iu2 h ALA 438 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iu2 h ALA 438 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3iu2 h ALA 438 CO 0.05 0.09 0.41 -0.07 0.00 0.00 0.00 179.25 179.73 3iu2 h LEU 439 N 0.69 0.76 -0.22 0.00 3.38 -1.07 -0.33 115.31 118.53 3iu2 h LEU 439 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3iu2 h LEU 439 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3iu2 h LEU 439 CO -0.04 0.57 0.11 0.58 0.09 0.00 0.00 178.44 179.75 3iu2 h VAL 440 N 0.88 1.12 -0.56 1.22 2.07 -0.95 -1.06 116.25 118.96 3iu2 h VAL 440 Ca 0.24 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3iu2 h VAL 440 Cb -0.07 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3iu2 h VAL 440 CO -0.05 0.11 0.29 -0.07 0.02 0.00 0.00 177.57 177.88 3iu2 h LEU 441 N 0.24 0.72 -0.34 2.57 3.38 -0.62 -1.20 115.31 120.05 3iu2 h LEU 441 Ca 0.08 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3iu2 h LEU 441 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iu2 h LEU 441 CO -0.01 0.62 0.20 0.00 0.09 0.00 0.00 178.44 179.34 3iu2 h ALA 442 N 1.12 0.43 -0.55 1.53 0.00 -0.88 -1.51 119.26 119.40 3iu2 h ALA 442 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iu2 h ALA 442 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3iu2 h ALA 442 CO -0.03 -0.15 0.31 -0.22 0.00 0.00 0.00 179.25 179.16 3iu2 h LYS 443 N 0.41 0.58 -0.81 0.00 1.63 -1.05 -1.93 116.57 115.40 3iu2 h LYS 443 Ca 0.14 -0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.01 3iu2 h LYS 443 Cb 0.00 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.44 3iu2 h LYS 443 CO -0.06 0.39 0.53 0.52 -3.45 0.00 0.00 179.45 177.37 3iu2 h MET 444 N 0.60 0.66 -0.16 1.90 2.86 -0.84 -1.45 114.93 118.50 3iu2 h MET 444 Ca 0.23 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3iu2 h MET 444 Cb 0.08 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3iu2 h MET 444 CO -0.13 0.44 0.00 1.63 1.06 0.00 0.00 176.91 179.91 3iu2 n LYS 445 N -4.52 1.57 -0.86 1.72 5.02 -0.60 -4.92 118.16 115.58 3iu2 n LYS 445 Ca 0.14 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3iu2 n LYS 445 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.02 0.49 3.78 0.72 0.00 -0.55 -5.04 105.19 105.60 3iu2 n GLY 446 Ca 0.14 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 2.93 -0.10 1.61 0.08 -0.83 -4.87 117.98 114.79 3iu2 s PHE 447 Ca 0.00 1.57 0.16 0.00 0.12 0.00 0.00 56.93 58.77 3iu2 s PHE 447 Cb 0.00 -3.26 -0.19 0.00 -0.57 0.00 0.00 43.02 39.00 3iu2 s PHE 447 CO 0.00 -1.24 0.64 -0.25 -0.10 0.00 0.00 175.22 174.28 3iu2 n ASP 448 N -0.65 0.70 -3.74 1.36 10.43 0.71 -4.44 116.55 120.92 3iu2 n ASP 448 Ca 0.08 0.32 -0.13 0.00 2.57 0.00 0.00 54.79 57.62 3iu2 n ASP 448 Cb 0.50 0.29 -0.09 0.00 1.84 0.00 0.00 41.12 43.66 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 -2.78 0.04 -0.16 2.53 0.11 -1.17 -1.37 120.40 117.60 3iu2 s VAL 449 Ca -0.05 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3iu2 s VAL 449 Cb 0.08 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 3iu2 s VAL 449 CO 0.82 -0.19 -0.15 0.12 -3.33 0.00 0.00 175.10 172.38 3iu2 s PHE 450 N -0.98 2.80 -0.07 1.54 5.36 -0.37 -1.67 117.98 124.58 3iu2 s PHE 450 Ca -0.10 -1.04 -0.00 0.00 -0.96 0.00 0.00 56.93 54.82 3iu2 s PHE 450 Cb -0.04 -1.90 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 3iu2 s PHE 450 CO 0.04 -0.48 -0.05 -0.80 -1.46 0.00 0.00 175.22 172.47 3iu2 s ASN 451 N 0.87 4.82 0.02 6.13 0.01 0.11 -0.08 114.94 126.82 3iu2 s ASN 451 Ca -0.04 0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.05 3iu2 s ASN 451 Cb -0.15 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.25 3iu2 s ASN 451 CO -0.01 0.37 0.18 0.00 -1.51 0.00 0.00 177.10 176.12 3iu2 s ALA 452 N -0.82 -0.36 0.60 0.60 0.00 -0.74 -0.28 121.76 120.76 3iu2 s ALA 452 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 3iu2 s ALA 452 Cb -0.11 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3iu2 s ALA 452 CO 0.02 -0.30 0.87 -0.51 0.00 0.00 0.00 175.76 175.84 3iu2 s LEU 453 N -1.79 3.15 -0.12 0.00 1.43 -1.26 -0.56 118.68 119.53 3iu2 s LEU 453 Ca -0.09 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 3iu2 s LEU 453 Cb -0.04 -3.11 0.47 0.00 0.03 0.00 0.00 46.19 43.54 3iu2 s LEU 453 CO -0.01 -1.23 1.26 -0.90 0.23 0.00 0.00 176.35 175.69 3iu2 n ASP 454 N -2.56 3.58 -3.61 2.29 5.75 -1.03 -4.77 116.55 116.21 3iu2 n ASP 454 Ca 0.07 -2.46 -0.21 0.00 -0.01 0.00 0.00 54.79 52.17 3iu2 n ASP 454 Cb 0.59 -0.56 0.14 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.44 0.00 0.00 -2.12 -0.00 -1.26 -4.33 117.00 109.73 3iu2 n LEU 455 Ca 0.16 -1.28 0.00 0.00 -0.00 0.00 0.00 56.01 54.90 3iu2 n LEU 455 Cb 0.74 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 3iu2 n LEU 455 CO 0.18 -1.11 0.00 0.23 -0.00 0.00 0.00 177.39 176.69 3iu2 n MET 456 N -2.92 0.00 -0.64 1.47 2.81 -0.84 -1.17 117.12 115.83 3iu2 n MET 456 Ca 0.13 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.08 3iu2 n MET 456 Cb 0.44 0.00 0.32 0.00 -0.71 0.00 0.00 33.22 33.27 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 3.79 -0.06 0.03 1.02 -1.26 -4.41 120.64 133.76 3iu2 n GLU 457 Ca 0.00 -2.48 0.02 0.00 -0.02 0.00 0.00 57.16 54.68 3iu2 n GLU 457 Cb 0.00 -1.98 0.35 0.00 -0.02 0.00 0.00 31.44 29.78 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 3.32 0.58 -0.07 1.62 -0.26 -1.40 -1.29 115.58 118.09 3iu2 h ASN 458 Ca 0.00 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3iu2 h ASN 458 Cb 1.51 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.62 3iu2 h ASN 458 CO 0.31 0.47 0.15 0.11 -1.06 0.00 0.00 177.43 177.42 3iu2 h LYS 459 N 0.67 0.00 0.00 0.81 1.57 -1.78 -1.22 116.57 116.62 3iu2 h LYS 459 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3iu2 h LYS 459 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3iu2 h LYS 459 CO -0.03 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.64 3iu2 h THR 460 N 0.00 0.00 0.00 -0.16 1.35 -1.61 -3.32 112.91 109.18 3iu2 h THR 460 Ca 0.03 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3iu2 h THR 460 Cb 0.33 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3iu2 h THR 460 CO -0.00 0.00 -0.62 2.22 -0.25 0.00 0.00 175.52 176.87 3iu2 n PHE 461 N -2.88 0.00 0.32 4.73 1.16 -0.52 -4.82 117.46 115.46 3iu2 n PHE 461 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.40 3iu2 n PHE 461 Cb 0.25 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.02 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 -1.29 -0.88 5.98 3.38 -1.51 -0.87 115.31 120.12 3iu2 h LEU 462 Ca 0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3iu2 h LEU 462 Cb 0.00 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iu2 h LEU 462 CO 0.00 -0.67 -0.21 -0.33 0.09 0.00 0.00 178.44 177.32 3iu2 h GLU 463 N -1.03 0.59 -0.03 1.13 5.08 -1.80 -1.54 114.58 116.97 3iu2 h GLU 463 Ca -0.07 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 3iu2 h GLU 463 Cb 0.88 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3iu2 h GLU 463 CO -0.02 0.76 -0.21 0.87 -1.00 0.00 0.00 179.01 179.42 3iu2 h LYS 464 N 0.52 0.04 -0.63 2.33 1.57 -1.82 -2.10 116.57 116.48 3iu2 h LYS 464 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3iu2 h LYS 464 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3iu2 h LYS 464 CO 0.05 0.25 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 3iu2 n LEU 465 N -4.27 5.22 -0.84 2.94 4.77 -0.36 -4.96 117.00 119.51 3iu2 n LEU 465 Ca -0.02 -2.64 -0.10 0.00 -0.03 0.00 0.00 56.01 53.22 3iu2 n LEU 465 Cb 0.28 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3iu2 n LEU 465 CO 0.37 0.75 -0.10 0.29 -1.33 0.00 0.00 177.39 177.37 3iu2 n LYS 466 N 0.96 -0.70 -2.07 3.23 5.02 -0.79 -5.00 118.16 118.80 3iu2 n LYS 466 Ca 0.27 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.95 3iu2 n LYS 466 Cb 1.03 -4.70 0.02 0.00 -0.02 0.00 0.00 35.03 31.35 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 -2.39 2.58 0.05 2.13 0.08 -0.59 -4.66 117.98 115.18 3iu2 s PHE 467 Ca 0.00 1.49 0.08 0.00 0.12 0.00 0.00 56.93 58.62 3iu2 s PHE 467 Cb 0.00 -3.51 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 3iu2 s PHE 467 CO 0.00 -2.06 -0.21 0.20 -0.10 0.00 0.00 175.22 173.05 3iu2 s GLY 468 N -1.34 1.52 0.41 4.36 0.00 0.83 -4.57 107.32 108.53 3iu2 s GLY 468 Ca 0.70 -1.24 -0.26 0.00 0.00 0.00 0.00 44.72 43.92 3iu2 s GLY 468 CO 0.37 -1.14 1.28 -1.50 0.00 0.00 0.00 173.10 172.12 3iu2 s ILE 469 N -0.90 2.68 0.50 0.90 2.07 -1.26 -0.94 121.20 124.25 3iu2 s ILE 469 Ca 0.14 0.60 0.08 0.00 -1.41 0.00 0.00 60.65 60.06 3iu2 s ILE 469 Cb -0.10 -3.35 0.03 0.00 0.13 0.00 0.00 42.46 39.17 3iu2 s ILE 469 CO 0.04 0.08 0.53 -0.83 -1.91 0.00 0.00 174.94 172.85 3iu2 s GLY 470 N -0.80 2.06 0.53 1.50 0.00 0.79 -4.85 107.32 106.56 3iu2 s GLY 470 Ca 0.57 -1.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.36 3iu2 s GLY 470 CO 0.47 -1.74 1.02 0.99 0.00 0.00 0.00 173.10 173.84 3iu2 s ASP 471 N -4.35 6.29 0.00 1.64 1.01 -1.26 -4.71 116.67 115.29 3iu2 s ASP 471 Ca 0.49 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.48 3iu2 s ASP 471 Cb -0.04 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3iu2 s ASP 471 CO 0.30 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.47 3iu2 n GLY 472 N -1.07 -0.72 3.40 0.21 0.00 -1.26 -4.78 105.19 100.98 3iu2 n GLY 472 Ca 0.08 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.92 3.13 -0.27 1.61 0.01 -1.26 -4.41 114.94 110.84 3iu2 s ASN 473 Ca 0.00 -0.97 0.01 0.00 -0.71 0.00 0.00 52.86 51.20 3iu2 s ASN 473 Cb 0.00 -0.22 0.06 0.00 0.41 0.00 0.00 41.25 41.49 3iu2 s ASN 473 CO 0.00 -0.01 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.29 3iu2 s LEU 474 N -3.15 3.61 -0.02 0.60 2.96 -0.10 -4.28 118.68 118.29 3iu2 s LEU 474 Ca 0.24 -1.36 -0.15 0.00 -0.22 0.00 0.00 54.13 52.64 3iu2 s LEU 474 Cb -0.05 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3iu2 s LEU 474 CO 0.10 -0.21 0.41 -1.10 -1.32 0.00 0.00 176.35 174.22 3iu2 s GLN 475 N 1.15 3.96 -0.13 1.98 1.11 0.26 -0.62 119.66 127.38 3iu2 s GLN 475 Ca -0.08 0.39 -0.07 0.00 0.01 0.00 0.00 55.36 55.62 3iu2 s GLN 475 Cb -0.20 -3.25 -0.04 0.00 -1.01 0.00 0.00 33.01 28.51 3iu2 s GLN 475 CO -0.04 0.63 0.13 0.71 0.01 0.00 0.00 175.29 176.74 3iu2 s TYR 476 N -0.86 3.56 0.07 0.91 2.02 0.32 -1.78 117.35 121.59 3iu2 s TYR 476 Ca 0.23 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 3iu2 s TYR 476 Cb -0.16 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3iu2 s TYR 476 CO 0.13 0.68 -0.09 0.71 -1.57 0.00 0.00 175.55 175.40 3iu2 s TYR 477 N -0.86 0.88 0.03 2.71 2.02 0.33 -0.56 117.35 121.90 3iu2 s TYR 477 Ca 0.14 -0.62 0.08 0.00 -0.37 0.00 0.00 57.07 56.31 3iu2 s TYR 477 Cb -0.12 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 3iu2 s TYR 477 CO 0.03 -0.06 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.20 3iu2 s LEU 478 N -2.11 2.26 -0.23 -1.29 1.43 -1.26 -1.93 118.68 115.55 3iu2 s LEU 478 Ca -0.01 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3iu2 s LEU 478 Cb -0.05 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3iu2 s LEU 478 CO -0.00 0.27 0.14 -0.47 0.23 0.00 0.00 176.35 176.52 3iu2 s TYR 479 N -0.79 3.32 -1.32 0.29 5.04 0.64 -4.51 117.35 120.02 3iu2 s TYR 479 Ca 0.12 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 3iu2 s TYR 479 Cb -0.10 -2.23 0.01 0.00 0.35 0.00 0.00 41.96 39.98 3iu2 s TYR 479 CO 0.02 0.10 1.16 -1.71 -1.34 0.00 0.00 175.55 173.78 3iu2 n ASN 480 N 4.10 -6.23 -3.35 4.32 5.15 -0.72 -2.98 115.26 115.57 3iu2 n ASN 480 Ca -0.15 -0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 3iu2 n ASN 480 Cb 0.52 -4.92 -0.08 0.00 -0.53 0.00 0.00 39.78 34.77 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 -3.31 -0.83 -0.13 1.20 -0.11 -1.26 -3.98 118.94 110.53 3iu2 s TRP 481 Ca 0.57 0.57 -0.19 0.00 1.22 0.00 0.00 56.10 58.26 3iu2 s TRP 481 Cb -0.25 -0.09 -0.04 0.00 -1.50 0.00 0.00 33.47 31.59 3iu2 s TRP 481 CO 0.71 -0.81 0.51 0.21 -4.62 0.00 0.00 176.95 172.95 3iu2 s LYS 482 N 2.52 4.32 0.18 5.86 2.20 0.35 -4.79 119.74 130.39 3iu2 s LYS 482 Ca 0.11 0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 55.99 3iu2 s LYS 482 Cb -0.14 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.78 3iu2 s LYS 482 CO -0.22 0.09 0.63 0.00 -0.36 0.00 0.00 175.35 175.49 3iu2 s PRO 484 N -3.76 3.33 0.74 0.00 0.02 -1.26 -4.87 135.00 129.21 3iu2 s PRO 484 Ca 0.03 2.19 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 3iu2 s PRO 484 Cb -0.02 -2.35 0.04 0.00 0.02 0.00 0.00 34.50 32.19 3iu2 s PRO 484 CO -0.09 -1.02 1.08 -1.54 -0.33 0.00 0.00 177.00 175.10 3iu2 s SER 485 N -0.94 4.79 0.17 2.53 1.04 -1.26 -4.98 113.70 115.04 3iu2 s SER 485 Ca 0.68 1.78 0.06 0.00 0.48 0.00 0.00 55.95 58.96 3iu2 s SER 485 Cb -0.39 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.17 3iu2 s SER 485 CO 0.47 -1.84 -0.12 0.00 0.98 0.00 0.00 173.24 172.72 3iu2 s MET 486 N -4.88 1.19 0.79 4.02 0.23 0.98 -5.02 119.30 116.62 3iu2 s MET 486 Ca 0.61 -1.51 -0.11 0.00 -1.03 0.00 0.00 55.69 53.64 3iu2 s MET 486 Cb -0.16 -0.88 0.06 0.00 -1.53 0.00 0.00 34.83 32.32 3iu2 s MET 486 CO 0.55 0.13 1.09 0.20 -2.03 0.00 0.00 175.02 174.95 3iu2 s GLY 487 N -3.21 1.64 0.37 3.16 0.00 -1.26 -4.41 107.32 103.61 3iu2 s GLY 487 Ca 0.19 -0.02 0.07 0.00 0.00 0.00 0.00 44.72 44.96 3iu2 s GLY 487 CO 0.04 0.37 1.94 0.00 0.00 0.00 0.00 173.10 175.45 3iu2 h ALA 488 N -1.10 1.77 0.00 3.20 0.00 -1.89 -1.77 119.26 119.47 3iu2 h ALA 488 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3iu2 h ALA 488 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iu2 h ALA 488 CO 0.56 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 3iu2 n GLU 489 N -4.49 0.08 0.00 0.00 0.00 -1.26 -1.89 120.64 113.07 3iu2 n GLU 489 Ca 0.12 0.38 0.10 0.00 0.00 0.00 0.00 57.16 57.76 3iu2 n GLU 489 Cb 0.30 -1.68 0.01 0.00 0.00 0.00 0.00 31.44 30.07 3iu2 n GLU 489 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3iu2 n LYS 490 N -1.84 1.48 -2.72 3.44 4.76 -0.67 -3.97 118.16 118.64 3iu2 n LYS 490 Ca 0.02 -1.07 -0.43 0.00 -2.87 0.00 0.00 58.31 53.97 3iu2 n LYS 490 Cb 0.16 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 3iu2 n LYS 490 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3iu2 s VAL 491 N -2.20 4.73 -0.30 -0.18 1.01 -0.79 -0.66 120.40 122.00 3iu2 s VAL 491 Ca 0.18 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.16 3iu2 s VAL 491 Cb 0.17 -4.26 0.46 0.00 0.00 0.00 0.00 36.38 32.74 3iu2 s VAL 491 CO 0.48 -0.13 1.17 0.61 0.00 0.00 0.00 175.10 177.23 3iu2 n GLY 492 N 3.40 5.94 2.83 4.51 0.00 0.81 -1.99 105.19 120.68 3iu2 n GLY 492 Ca 0.10 -2.53 -0.19 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.61 1.09 -0.13 0.99 2.96 -1.14 -4.15 118.68 114.70 3iu2 s LEU 493 Ca 0.48 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 3iu2 s LEU 493 Cb 0.40 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.78 3iu2 s LEU 493 CO 0.01 -0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.06 3iu2 s VAL 494 N 1.18 1.81 0.18 1.68 1.01 -1.26 -5.08 120.40 119.92 3iu2 s VAL 494 Ca -0.07 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3iu2 s VAL 494 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3iu2 s VAL 494 CO -0.02 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 174.86 3iu2 s LEU 495 N 0.91 3.44 0.00 3.92 2.01 -1.26 -5.07 118.68 122.63 3iu2 s LEU 495 Ca -0.06 -0.34 0.25 0.00 0.01 0.00 0.00 54.13 53.98 3iu2 s LEU 495 Cb -0.15 -2.07 1.48 0.00 0.01 0.00 0.00 46.19 45.46 3iu2 s LEU 495 CO -0.02 0.07 1.85 0.00 1.01 0.00 0.00 176.35 179.26