#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hag s THR 119 N 0.00 0.66 -0.19 -3.53 -4.23 -1.26 -5.11 115.64 101.98 3hag s THR 119 Ca 0.00 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 3hag s THR 119 Cb 0.00 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 3hag s THR 119 CO 0.00 0.01 1.25 0.00 -0.54 0.00 0.00 174.62 175.34 3hag s ALA 120 N 1.82 3.62 0.11 3.99 0.00 -1.26 -4.97 121.76 125.06 3hag s ALA 120 Ca 0.01 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 3hag s ALA 120 Cb -0.15 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 3hag s ALA 120 CO -0.07 -1.27 1.49 -1.25 0.00 0.00 0.00 175.76 174.66 3hag s PRO 121 N 3.59 4.26 -0.00 0.00 0.04 -1.26 -4.85 135.00 136.78 3hag s PRO 121 Ca 0.54 2.19 -0.39 0.00 0.04 0.00 0.00 61.00 63.39 3hag s PRO 121 Cb -0.20 -3.32 -0.18 0.00 0.04 0.00 0.00 34.50 30.84 3hag s PRO 121 CO 0.15 -0.56 1.31 1.33 0.04 0.00 0.00 177.00 179.27 3hag n VAL 122 N 4.17 0.03 -0.29 -0.36 0.24 -1.26 -4.79 118.33 116.07 3hag n VAL 122 Ca 0.13 -0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 3hag n VAL 122 Cb 0.41 -0.59 0.35 0.00 -1.47 0.00 0.00 33.84 32.54 3hag n VAL 122 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3hag h PRO 123 N 4.35 0.72 -3.13 7.34 0.11 -2.05 -3.38 132.00 135.96 3hag h PRO 123 Ca -0.48 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 3hag h PRO 123 Cb 1.36 -0.16 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 3hag h PRO 123 CO 0.76 0.48 -0.41 -0.51 -0.21 0.00 0.00 178.00 178.11 3hag s ASP 124 N -5.71 -0.24 -0.42 -2.05 1.01 -1.26 -5.06 116.67 102.93 3hag s ASP 124 Ca -0.10 0.44 0.05 0.00 0.71 0.00 0.00 52.55 53.65 3hag s ASP 124 Cb 0.22 0.49 0.43 0.00 1.01 0.00 0.00 42.92 45.07 3hag s ASP 124 CO 0.79 -0.13 1.18 0.55 0.21 0.00 0.00 175.17 177.78 3hag n VAL 125 N 2.74 2.48 0.27 -1.27 3.14 -1.26 -4.84 118.33 119.59 3hag n VAL 125 Ca -0.14 -4.69 0.15 0.00 -2.96 0.00 0.00 64.34 56.70 3hag n VAL 125 Cb 0.58 -1.23 0.74 0.00 -1.06 0.00 0.00 33.84 32.87 3hag n VAL 125 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 3hag h ASP 126 N 2.48 0.00 -2.39 6.55 2.03 -1.97 -3.39 116.42 119.72 3hag h ASP 126 Ca 0.33 0.00 -0.77 0.00 -0.73 0.00 0.00 57.03 55.87 3hag h ASP 126 Cb 1.05 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.35 3hag h ASP 126 CO 0.86 0.09 1.24 -1.54 -1.03 0.00 0.00 179.24 178.86 3hag n SER 127 N -3.37 5.42 -3.64 4.15 3.41 -1.26 -4.92 113.62 113.41 3hag n SER 127 Ca -0.01 -3.08 -0.09 0.00 -0.26 0.00 0.00 58.87 55.43 3hag n SER 127 Cb 0.27 -1.47 -0.07 0.00 -0.26 0.00 0.00 64.21 62.68 3hag n SER 127 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hag s ARG 128 N 0.09 0.56 0.38 4.33 0.52 -1.26 -5.07 118.95 118.51 3hag s ARG 128 Ca 0.38 0.71 0.14 0.00 -0.52 0.00 0.00 55.73 56.44 3hag s ARG 128 Cb -0.01 0.25 0.74 0.00 0.52 0.00 0.00 34.95 36.45 3hag s ARG 128 CO -0.00 -0.07 1.31 0.78 0.02 0.00 0.00 175.30 177.34 3hag h GLY 129 N 4.69 0.00 -2.49 -3.53 0.00 -1.97 -3.43 103.07 96.34 3hag h GLY 129 Ca -0.28 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.09 3hag h GLY 129 CO 0.11 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.91 3hag s ALA 130 N -3.42 -1.44 -0.08 3.60 0.00 -1.26 -4.97 121.76 114.19 3hag s ALA 130 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 51.96 52.18 3hag s ALA 130 Cb 0.04 0.82 -0.24 0.00 0.00 0.00 0.00 23.12 23.74 3hag s ALA 130 CO 0.12 -0.92 0.51 -0.89 0.00 0.00 0.00 175.76 174.59 3hag n ILE 131 N -0.42 1.57 -3.60 0.00 2.08 -0.31 -4.93 119.36 113.75 3hag n ILE 131 Ca -0.09 -0.80 -0.03 0.00 0.56 0.00 0.00 62.75 62.39 3hag n ILE 131 Cb 0.62 -0.96 -0.05 0.00 -0.75 0.00 0.00 39.64 38.49 3hag n ILE 131 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3hag s LEU 132 N -6.03 -0.86 -0.11 1.39 2.96 -1.17 -5.01 118.68 109.86 3hag s LEU 132 Ca -0.07 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3hag s LEU 132 Cb 0.07 2.11 -0.03 0.00 0.50 0.00 0.00 46.19 48.85 3hag s LEU 132 CO 0.82 -0.19 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.99 3hag s ARG 133 N 2.10 3.18 0.08 1.98 3.52 -1.26 -1.03 118.95 127.52 3hag s ARG 133 Ca -0.07 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 3hag s ARG 133 Cb -0.07 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.63 3hag s ARG 133 CO -0.18 0.43 0.23 0.50 -0.81 0.00 0.00 175.30 175.47 3hag s ARG 134 N -0.18 0.85 -0.12 5.12 3.00 -0.67 -5.02 118.95 121.93 3hag s ARG 134 Ca 0.02 -0.82 0.00 0.00 -1.00 0.00 0.00 55.73 53.94 3hag s ARG 134 Cb -0.13 0.35 0.02 0.00 0.00 0.00 0.00 34.95 35.19 3hag s ARG 134 CO 0.03 -0.28 -0.11 -1.14 0.00 0.00 0.00 175.30 173.80 3hag s GLN 135 N -3.49 1.91 0.06 5.12 0.74 -1.26 -1.05 119.66 121.69 3hag s GLN 135 Ca 0.02 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.04 3hag s GLN 135 Cb 0.03 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 3hag s GLN 135 CO -0.09 -0.21 0.04 0.71 -0.55 0.00 0.00 175.29 175.19 3hag s TYR 136 N 1.48 3.12 -0.36 1.67 1.51 0.16 -4.99 117.35 119.95 3hag s TYR 136 Ca 0.02 0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3hag s TYR 136 Cb -0.13 -1.62 0.12 0.00 -0.11 0.00 0.00 41.96 40.22 3hag s TYR 136 CO -0.08 0.50 0.16 -0.80 -1.11 0.00 0.00 175.55 174.23 3hag s ASN 137 N -2.17 3.71 0.18 2.29 -0.87 -1.26 -1.21 114.94 115.62 3hag s ASN 137 Ca 0.26 -2.03 0.11 0.00 -1.57 0.00 0.00 52.86 49.63 3hag s ASN 137 Cb -0.12 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.25 40.25 3hag s ASN 137 CO 0.18 -0.35 -0.20 -0.76 -2.57 0.00 0.00 177.10 173.40 3hag s LEU 138 N 1.15 2.59 0.13 0.60 1.02 -0.68 -4.96 118.68 118.54 3hag s LEU 138 Ca 0.14 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.55 3hag s LEU 138 Cb -0.20 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 3hag s LEU 138 CO -0.13 0.12 -0.06 -0.94 0.02 0.00 0.00 176.35 175.36 3hag s SER 139 N -2.64 1.34 0.81 2.29 1.04 -1.26 0.23 113.70 115.50 3hag s SER 139 Ca 0.21 -1.05 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 3hag s SER 139 Cb -0.08 0.07 0.14 0.00 0.10 0.00 0.00 66.02 66.24 3hag s SER 139 CO 0.11 -0.46 1.13 0.42 0.98 0.00 0.00 173.24 175.43 3hag s THR 140 N -3.55 2.12 0.66 2.02 -4.23 -0.59 -4.70 115.64 107.36 3hag s THR 140 Ca 0.16 -0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.30 3hag s THR 140 Cb 0.05 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 3hag s THR 140 CO -0.01 0.00 1.05 -0.44 -0.54 0.00 0.00 174.62 174.68 3hag s SER 141 N -4.73 5.85 0.18 3.99 0.01 -0.83 -4.69 113.70 113.48 3hag s SER 141 Ca 0.67 1.42 -0.33 0.00 1.31 0.00 0.00 55.95 59.02 3hag s SER 141 Cb -0.06 -2.38 -0.14 0.00 0.21 0.00 0.00 66.02 63.65 3hag s SER 141 CO 0.48 -1.11 1.47 -0.81 0.41 0.00 0.00 173.24 173.68 3hag n PRO 142 N -2.90 1.95 -3.03 12.44 -0.04 -1.26 -4.75 135.00 137.40 3hag n PRO 142 Ca 0.06 0.70 -0.39 0.00 -0.04 0.00 0.00 63.50 63.83 3hag n PRO 142 Cb 0.54 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 3hag n PRO 142 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hag s LEU 143 N 0.57 4.53 0.10 1.53 1.43 0.13 -4.90 118.68 122.06 3hag s LEU 143 Ca 0.75 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.40 3hag s LEU 143 Cb -0.71 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 3hag s LEU 143 CO 0.44 0.15 -0.10 0.42 0.23 0.00 0.00 176.35 177.48 3hag s THR 144 N -0.71 0.96 -0.10 5.49 -4.23 -1.26 -1.43 115.64 114.35 3hag s THR 144 Ca 0.36 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3hag s THR 144 Cb -0.21 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 3hag s THR 144 CO 0.24 -0.54 -0.14 -0.55 -0.54 0.00 0.00 174.62 173.08 3hag s SER 145 N -2.42 3.95 0.00 3.99 0.15 -1.26 -4.97 113.70 113.14 3hag s SER 145 Ca 0.05 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.46 3hag s SER 145 Cb -0.03 -1.37 0.10 0.00 -1.71 0.00 0.00 66.02 63.01 3hag s SER 145 CO 0.00 0.22 0.90 0.41 1.20 0.00 0.00 173.24 175.97 3hag n THR 146 N 3.17 0.45 -1.89 6.45 -1.04 -1.26 -4.61 114.28 115.55 3hag n THR 146 Ca -0.18 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.10 3hag n THR 146 Cb 0.53 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.88 3hag n THR 146 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hag n ILE 147 N 0.22 0.00 -0.49 12.58 2.08 -1.26 -5.02 119.36 127.46 3hag n ILE 147 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 3hag n ILE 147 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 3hag n ILE 147 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hag n GLY 150 N 3.53 -1.93 0.05 7.39 0.00 -1.26 -5.05 105.19 107.92 3hag n GLY 150 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 3hag n GLY 150 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hag h THR 151 N 0.00 0.00 -3.41 2.61 2.02 -1.90 -3.45 112.91 108.79 3hag h THR 151 Ca 0.00 -0.83 -0.73 0.00 0.77 0.00 0.00 66.41 65.62 3hag h THR 151 Cb 0.00 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 66.11 3hag h THR 151 CO 0.00 0.00 -0.32 0.20 0.37 0.00 0.00 175.52 175.77 3hag s ASN 152 N -5.22 5.78 0.08 4.18 0.02 -1.26 -2.26 114.94 116.26 3hag s ASN 152 Ca -0.05 -2.18 0.06 0.00 -1.02 0.00 0.00 52.86 49.67 3hag s ASN 152 Cb 0.01 -2.01 -0.04 0.00 0.02 0.00 0.00 41.25 39.22 3hag s ASN 152 CO 0.07 -0.63 -0.10 -0.76 0.02 0.00 0.00 177.10 175.71 3hag s LEU 153 N 0.96 3.05 -0.33 0.60 1.43 -0.92 -4.96 118.68 118.51 3hag s LEU 153 Ca 0.09 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 3hag s LEU 153 Cb -0.23 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 3hag s LEU 153 CO -0.02 0.20 0.64 -0.69 0.23 0.00 0.00 176.35 176.71 3hag s VAL 154 N -1.16 4.91 -0.01 -1.59 1.01 -1.26 -1.04 120.40 121.25 3hag s VAL 154 Ca 0.20 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.99 3hag s VAL 154 Cb -0.11 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 31.98 3hag s VAL 154 CO 0.12 -0.22 0.80 -0.07 0.00 0.00 0.00 175.10 175.73 3hag h LEU 155 N 9.28 0.18 -7.04 3.92 3.38 -1.13 -3.47 115.31 120.42 3hag h LEU 155 Ca -0.26 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3hag h LEU 155 Cb 1.11 -0.06 -0.22 0.00 0.09 0.00 0.00 40.66 41.59 3hag h LEU 155 CO 0.82 1.25 0.05 -0.47 0.09 0.00 0.00 178.44 180.18 3hag s TYR 156 N -2.62 -0.82 -0.24 1.13 5.04 -0.86 -4.88 117.35 114.11 3hag s TYR 156 Ca -0.07 1.87 -0.09 0.00 -2.44 0.00 0.00 57.07 56.34 3hag s TYR 156 Cb 0.08 0.35 0.10 0.00 0.35 0.00 0.00 41.96 42.84 3hag s TYR 156 CO 0.83 -0.40 0.52 0.00 -1.34 0.00 0.00 175.55 175.16 3hag s ALA 157 N 0.71 -1.52 0.14 3.97 0.00 -1.26 0.47 121.76 124.28 3hag s ALA 157 Ca -0.03 1.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 3hag s ALA 157 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3hag s ALA 157 CO -0.05 -0.75 0.13 0.00 0.00 0.00 0.00 175.76 175.09 3hag s ALA 158 N 2.55 0.57 0.03 0.00 0.00 -0.91 -5.02 121.76 118.97 3hag s ALA 158 Ca -0.04 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.55 3hag s ALA 158 Cb -0.11 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 3hag s ALA 158 CO -0.15 -0.54 0.34 -1.25 0.00 0.00 0.00 175.76 174.16 3hag s PRO 159 N -4.02 3.72 -0.37 0.00 0.04 -1.26 -0.88 135.00 132.23 3hag s PRO 159 Ca 0.21 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 3hag s PRO 159 Cb 0.06 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 3hag s PRO 159 CO 0.01 0.63 1.63 -1.17 0.04 0.00 0.00 177.00 178.14 3hag s LEU 160 N -1.62 3.54 0.16 -3.56 2.96 0.20 -4.79 118.68 115.57 3hag s LEU 160 Ca 0.28 1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 55.04 3hag s LEU 160 Cb -0.14 -3.51 0.07 0.00 0.50 0.00 0.00 46.19 43.10 3hag s LEU 160 CO 0.15 -1.59 0.59 -0.94 -1.32 0.00 0.00 176.35 173.24 3hag s SER 161 N 5.15 -0.53 0.37 3.68 1.04 -1.26 0.10 113.70 122.24 3hag s SER 161 Ca 0.71 -0.05 0.25 0.00 0.48 0.00 0.00 55.95 57.34 3hag s SER 161 Cb -0.18 0.60 1.35 0.00 0.10 0.00 0.00 66.02 67.89 3hag s SER 161 CO 0.33 -0.98 1.76 0.77 0.98 0.00 0.00 173.24 176.11 3hag h SER 162 N 2.03 0.00 -0.44 7.02 4.64 -1.91 -1.61 113.55 123.28 3hag h SER 162 Ca -0.33 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.74 3hag h SER 162 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.25 3hag h SER 162 CO 0.38 0.00 -0.07 0.18 -0.87 0.00 0.00 176.83 176.45 3hag n LEU 163 N -2.37 4.46 -4.62 5.97 4.77 -1.26 -2.57 117.00 121.37 3hag n LEU 163 Ca -0.02 -3.88 -0.52 0.00 -0.03 0.00 0.00 56.01 51.56 3hag n LEU 163 Cb 0.04 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 3hag n LEU 163 CO 0.11 1.34 1.54 -0.11 -1.33 0.00 0.00 177.39 178.94 3hag n LEU 164 N -1.09 2.67 -4.55 2.23 7.94 -0.61 -4.93 117.00 118.66 3hag n LEU 164 Ca 0.37 0.82 -0.41 0.00 -1.11 0.00 0.00 56.01 55.67 3hag n LEU 164 Cb 1.05 -1.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 3hag n LEU 164 CO 0.25 -0.40 1.13 -2.16 -1.11 0.00 0.00 177.39 175.10 3hag s PRO 165 N 4.61 3.27 -0.17 1.96 0.04 -1.26 -4.90 135.00 138.55 3hag s PRO 165 Ca 1.00 -0.14 0.16 0.00 0.04 0.00 0.00 61.00 62.05 3hag s PRO 165 Cb -0.87 -4.14 -0.22 0.00 0.04 0.00 0.00 34.50 29.31 3hag s PRO 165 CO 0.56 -2.02 0.07 1.28 0.04 0.00 0.00 177.00 176.93 3hag n LEU 166 N 9.07 0.00 -4.63 -3.56 4.77 -1.26 -5.00 117.00 116.39 3hag n LEU 166 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 3hag n LEU 166 Cb 0.49 0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.90 3hag n LEU 166 CO 0.71 0.42 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.73 3hag s GLN 167 N -2.44 2.66 0.40 3.23 -0.21 -1.26 -1.97 119.66 120.07 3hag s GLN 167 Ca -0.09 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.35 3hag s GLN 167 Cb 0.05 -2.58 -0.10 0.00 1.00 0.00 0.00 33.01 31.38 3hag s GLN 167 CO 0.71 0.61 1.46 -0.51 -2.12 0.00 0.00 175.29 175.45 3hag s ASP 168 N -1.47 6.23 0.00 5.90 1.01 -1.26 -4.27 116.67 122.81 3hag s ASP 168 Ca 0.18 3.00 0.00 0.00 0.71 0.00 0.00 52.55 56.44 3hag s ASP 168 Cb -0.11 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.15 3hag s ASP 168 CO 0.09 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.13 3hag n GLY 169 N 0.51 -1.09 3.36 0.21 0.00 -0.27 -4.84 105.19 103.07 3hag n GLY 169 Ca 0.02 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 3hag n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hag s THR 170 N 0.00 3.40 0.00 2.61 2.01 -1.26 -0.63 115.64 121.77 3hag s THR 170 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3hag s THR 170 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 3hag s THR 170 CO 0.00 0.46 0.00 0.59 -0.69 0.00 0.00 174.62 174.98 3hag n ASN 171 N 4.21 0.00 -3.57 3.53 3.02 -0.42 -4.94 115.26 117.08 3hag n ASN 171 Ca -0.18 -0.69 -0.15 0.00 -0.03 0.00 0.00 54.58 53.53 3hag n ASN 171 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 3hag n ASN 171 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hag s THR 172 N -2.33 0.02 0.07 3.41 2.01 -1.26 -0.60 115.64 116.97 3hag s THR 172 Ca 0.00 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 3hag s THR 172 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3hag s THR 172 CO 0.00 -0.11 0.04 -1.38 -0.69 0.00 0.00 174.62 172.48 3hag s HIS 173 N -2.03 0.50 0.38 4.92 -3.43 -1.26 -5.04 115.29 109.32 3hag s HIS 173 Ca -0.07 -0.99 0.08 0.00 -0.80 0.00 0.00 55.06 53.28 3hag s HIS 173 Cb -0.01 -0.33 0.82 0.00 -1.43 0.00 0.00 32.58 31.63 3hag s HIS 173 CO 0.02 -0.45 1.95 -0.84 -2.00 0.00 0.00 174.74 173.42 3hag h ILE 174 N 3.00 0.97 -0.01 -5.38 -2.65 -1.96 0.26 117.51 111.73 3hag h ILE 174 Ca -0.34 -0.23 -0.06 0.00 1.03 0.00 0.00 64.86 65.26 3hag h ILE 174 Cb 1.16 0.24 -0.01 0.00 -2.05 0.00 0.00 36.82 36.16 3hag h ILE 174 CO 0.62 0.12 -0.28 -0.03 0.03 0.00 0.00 178.15 178.62 3hag h MET 175 N 0.67 0.02 0.04 0.16 -1.53 -1.97 3.53 114.93 115.86 3hag h MET 175 Ca 0.32 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.58 3hag h MET 175 Cb 0.39 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.44 3hag h MET 175 CO -0.11 0.30 -0.02 0.00 0.14 0.00 0.00 176.91 177.22 3hag h ALA 176 N 1.70 -0.06 -0.12 0.39 0.00 -1.03 -3.13 119.26 117.01 3hag h ALA 176 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hag h ALA 176 Cb 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3hag h ALA 176 CO 0.04 -0.06 -0.34 1.15 0.00 0.00 0.00 179.25 180.03 3hag h THR 177 N -1.01 0.00 -0.52 0.00 2.02 -0.13 -1.63 112.91 111.63 3hag h THR 177 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 3hag h THR 177 Cb 0.20 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.54 3hag h THR 177 CO 0.01 0.00 0.12 -0.33 0.37 0.00 0.00 175.52 175.69 3hag h GLU 178 N -0.34 0.25 -0.37 6.66 5.08 0.64 -2.84 114.58 123.67 3hag h GLU 178 Ca 0.02 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3hag h GLU 178 Cb 0.42 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3hag h GLU 178 CO -0.29 0.17 -0.17 0.00 -1.00 0.00 0.00 179.01 177.72 3hag h ALA 179 N 1.40 1.02 -0.89 3.43 0.00 -1.44 -3.25 119.26 119.53 3hag h ALA 179 Ca 0.27 -0.33 0.26 0.00 0.00 0.00 0.00 54.91 55.10 3hag h ALA 179 Cb 0.36 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 17.83 3hag h ALA 179 CO -0.33 0.59 0.07 0.45 0.00 0.00 0.00 179.25 180.02 3hag n SER 180 N -4.15 -0.06 0.00 0.00 2.88 -0.64 -0.62 113.62 111.04 3hag n SER 180 Ca 0.01 1.51 0.08 0.00 -1.33 0.00 0.00 58.87 59.14 3hag n SER 180 Cb 0.38 -0.57 0.36 0.00 -0.75 0.00 0.00 64.21 63.64 3hag n SER 180 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3hag n ASN 181 N -5.27 0.00 -4.94 -3.46 5.03 -1.23 -2.55 115.26 102.84 3hag n ASN 181 Ca 0.22 0.38 -0.20 0.00 0.87 0.00 0.00 54.58 55.86 3hag n ASN 181 Cb 0.73 -0.44 -0.01 0.00 -1.02 0.00 0.00 39.78 39.04 3hag n ASN 181 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3hag s TYR 182 N -2.89 2.99 -0.22 3.10 1.51 0.21 -0.13 117.35 121.93 3hag s TYR 182 Ca 0.10 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.71 3hag s TYR 182 Cb 0.11 -1.99 -0.13 0.00 -0.11 0.00 0.00 41.96 39.84 3hag s TYR 182 CO 0.28 -0.00 -0.09 0.00 -1.11 0.00 0.00 175.55 174.63 3hag n ALA 183 N -1.57 0.87 -2.68 3.71 0.00 1.80 -4.68 120.51 117.95 3hag n ALA 183 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 3hag n ALA 183 Cb 0.59 -0.18 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 3hag n ALA 183 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hag s GLN 184 N -2.45 2.95 0.30 0.00 -0.21 -1.26 0.82 119.66 119.81 3hag s GLN 184 Ca -0.30 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 54.58 3hag s GLN 184 Cb 0.08 -2.65 -0.06 0.00 1.00 0.00 0.00 33.01 31.38 3hag s GLN 184 CO 0.48 0.56 -0.00 1.52 -2.12 0.00 0.00 175.29 175.73 3hag s TYR 185 N -0.52 1.94 -0.22 0.91 1.13 -0.27 -0.29 117.35 120.04 3hag s TYR 185 Ca 0.08 -0.82 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 3hag s TYR 185 Cb -0.12 -1.19 0.08 0.00 -1.10 0.00 0.00 41.96 39.62 3hag s TYR 185 CO 0.02 0.15 0.53 0.50 -2.51 0.00 0.00 175.55 174.24 3hag s ARG 186 N -3.80 0.51 -0.44 -3.49 3.52 -0.47 -0.47 118.95 114.31 3hag s ARG 186 Ca 0.32 1.03 -0.22 0.00 -0.13 0.00 0.00 55.73 56.73 3hag s ARG 186 Cb 0.06 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 3hag s ARG 186 CO 0.13 -0.17 0.72 0.08 -0.81 0.00 0.00 175.30 175.25 3hag s VAL 187 N 1.74 4.73 0.02 7.11 1.01 -1.25 -1.14 120.40 132.63 3hag s VAL 187 Ca -0.09 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 3hag s VAL 187 Cb -0.08 -4.27 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 3hag s VAL 187 CO -0.16 -0.66 0.93 -0.37 0.00 0.00 0.00 175.10 174.84 3hag h VAL 188 N 5.93 1.24 -3.33 2.92 -1.51 -1.21 -3.45 116.25 116.84 3hag h VAL 188 Ca -0.25 -2.90 -0.14 0.00 -1.23 0.00 0.00 66.70 62.19 3hag h VAL 188 Cb 1.09 2.77 -0.20 0.00 -2.13 0.00 0.00 31.29 32.81 3hag h VAL 188 CO 0.93 0.82 -0.41 -0.13 -1.23 0.00 0.00 177.57 177.55 3hag s ARG 189 N -2.63 0.55 -0.09 5.19 0.52 -1.23 -4.91 118.95 116.35 3hag s ARG 189 Ca -0.07 -0.31 -0.19 0.00 -0.52 0.00 0.00 55.73 54.63 3hag s ARG 189 Cb 0.07 0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.82 3hag s ARG 189 CO 0.85 -0.14 0.47 0.00 0.02 0.00 0.00 175.30 176.50 3hag s ALA 190 N -1.34 -1.18 -0.20 2.13 0.00 -1.26 -1.59 121.76 118.32 3hag s ALA 190 Ca -0.14 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 3hag s ALA 190 Cb -0.07 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.84 3hag s ALA 190 CO 0.03 -0.27 0.40 0.99 0.00 0.00 0.00 175.76 176.90 3hag s THR 191 N -0.64 -0.62 -0.14 0.00 2.01 -0.44 -2.34 115.64 113.46 3hag s THR 191 Ca -0.07 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 3hag s THR 191 Cb -0.03 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3hag s THR 191 CO 0.04 0.05 0.26 -0.63 -0.69 0.00 0.00 174.62 173.65 3hag s ILE 192 N 2.59 5.32 0.14 1.82 -1.09 -0.17 -1.47 121.20 128.33 3hag s ILE 192 Ca 0.01 0.48 0.09 0.00 -2.23 0.00 0.00 60.65 59.00 3hag s ILE 192 Cb -0.13 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3hag s ILE 192 CO -0.13 0.45 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.69 3hag s ARG 193 N 0.07 1.25 -0.24 2.79 0.52 -0.21 -0.06 118.95 123.07 3hag s ARG 193 Ca 0.16 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3hag s ARG 193 Cb -0.13 -1.47 0.06 0.00 0.52 0.00 0.00 34.95 33.93 3hag s ARG 193 CO 0.04 0.32 -0.06 -0.47 0.02 0.00 0.00 175.30 175.15 3hag s TYR 194 N -1.53 2.48 -0.21 -0.53 5.04 -0.75 -0.07 117.35 121.78 3hag s TYR 194 Ca 0.12 -1.80 -0.12 0.00 -2.44 0.00 0.00 57.07 52.83 3hag s TYR 194 Cb -0.08 -1.61 -0.05 0.00 0.35 0.00 0.00 41.96 40.57 3hag s TYR 194 CO 0.06 -0.78 0.22 1.03 -1.34 0.00 0.00 175.55 174.74 3hag s ARG 195 N 1.37 4.15 0.39 4.97 0.52 -0.78 -3.29 118.95 126.28 3hag s ARG 195 Ca -0.06 -0.10 -0.24 0.00 -0.52 0.00 0.00 55.73 54.81 3hag s ARG 195 Cb -0.19 -3.50 -0.10 0.00 0.52 0.00 0.00 34.95 31.69 3hag s ARG 195 CO -0.06 0.11 1.00 -2.14 0.02 0.00 0.00 175.30 174.23 3hag s PRO 196 N 0.88 4.26 -0.00 3.54 0.02 -1.26 -0.87 135.00 141.57 3hag s PRO 196 Ca 0.11 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.50 3hag s PRO 196 Cb -0.13 -2.49 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 3hag s PRO 196 CO 0.04 -0.03 0.01 1.28 -0.33 0.00 0.00 177.00 177.97 3hag n LEU 197 N -0.11 0.01 -4.76 -5.54 4.77 0.54 -4.85 117.00 107.05 3hag n LEU 197 Ca 0.05 -0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.27 3hag n LEU 197 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hag n LEU 197 CO 0.43 0.00 0.95 -0.69 -1.33 0.00 0.00 177.39 176.74 3hag s VAL 198 N -1.27 2.58 0.87 4.08 1.01 -0.50 -4.88 120.40 122.29 3hag s VAL 198 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 3hag s VAL 198 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 36.38 33.26 3hag s VAL 198 CO 0.01 0.04 1.22 -2.16 0.00 0.00 0.00 175.10 174.21 3hag s PRO 199 N -2.46 1.20 0.26 2.72 0.04 -1.26 -4.90 135.00 130.60 3hag s PRO 199 Ca 0.61 -0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.25 3hag s PRO 199 Cb -0.37 -1.96 0.47 0.00 0.04 0.00 0.00 34.50 32.68 3hag s PRO 199 CO 0.46 -2.01 1.81 0.66 0.04 0.00 0.00 177.00 177.97 3hag h SER 200 N -1.28 0.74 0.92 6.66 4.64 -1.99 -2.97 113.55 120.28 3hag h SER 200 Ca -0.44 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3hag h SER 200 Cb 1.27 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hag h SER 200 CO 0.46 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.82 3hag h ALA 201 N 1.50 1.00 -2.39 5.18 0.00 -1.96 -3.44 119.26 119.15 3hag h ALA 201 Ca 0.44 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.81 3hag h ALA 201 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hag h ALA 201 CO -0.27 0.00 0.40 0.08 0.00 0.00 0.00 179.25 179.46 3hag s VAL 202 N -3.46 4.86 0.02 0.00 1.01 -1.12 -2.33 120.40 119.37 3hag s VAL 202 Ca 0.03 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.04 3hag s VAL 202 Cb 0.09 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3hag s VAL 202 CO 0.47 0.13 0.02 0.61 0.00 0.00 0.00 175.10 176.34 3hag n GLY 203 N 2.95 2.99 1.01 4.51 0.00 -0.80 -4.82 105.19 111.03 3hag n GLY 203 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3hag n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hag n GLY 204 N -0.03 0.75 3.32 -0.02 0.00 -1.26 -1.01 105.19 106.94 3hag n GLY 204 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3hag n GLY 204 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hag s TYR 205 N -2.00 1.37 -0.01 1.61 -0.85 -1.26 -3.10 117.35 113.11 3hag s TYR 205 Ca 0.00 -1.46 -0.05 0.00 -0.52 0.00 0.00 57.07 55.04 3hag s TYR 205 Cb 0.00 -0.49 0.00 0.00 0.38 0.00 0.00 41.96 41.85 3hag s TYR 205 CO 0.00 -0.87 0.10 0.00 -1.52 0.00 0.00 175.55 173.26 3hag s ALA 206 N -3.60 -0.23 0.06 9.51 0.00 0.12 -4.07 121.76 123.55 3hag s ALA 206 Ca 0.37 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.32 3hag s ALA 206 Cb 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3hag s ALA 206 CO 0.21 -0.15 -0.11 0.42 0.00 0.00 0.00 175.76 176.13 3hag s ILE 207 N -0.92 3.31 -0.06 0.00 -1.09 -0.84 0.67 121.20 122.27 3hag s ILE 207 Ca -0.10 -1.11 -0.03 0.00 -2.23 0.00 0.00 60.65 57.18 3hag s ILE 207 Cb -0.06 -2.48 0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3hag s ILE 207 CO 0.01 0.25 0.13 -0.94 -1.23 0.00 0.00 174.94 173.15 3hag s SER 208 N -1.80 0.05 -0.14 3.58 1.04 0.81 0.20 113.70 117.44 3hag s SER 208 Ca 0.19 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 3hag s SER 208 Cb -0.11 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 3hag s SER 208 CO 0.10 -0.16 0.01 -0.63 0.98 0.00 0.00 173.24 173.54 3hag s ILE 209 N 1.33 4.34 0.08 -1.02 1.01 -1.08 -0.93 121.20 124.94 3hag s ILE 209 Ca -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 3hag s ILE 209 Cb -0.12 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3hag s ILE 209 CO -0.06 0.52 0.08 -0.94 0.00 0.00 0.00 174.94 174.55 3hag s SER 210 N -0.09 0.31 -0.07 3.58 1.04 -0.33 -2.17 113.70 115.98 3hag s SER 210 Ca 0.04 -0.92 -0.00 0.00 0.48 0.00 0.00 55.95 55.55 3hag s SER 210 Cb -0.13 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3hag s SER 210 CO 0.02 -0.68 -0.03 0.12 0.98 0.00 0.00 173.24 173.64 3hag s PHE 211 N -3.93 0.84 -0.24 5.02 5.36 -1.07 -1.27 117.98 122.69 3hag s PHE 211 Ca 0.10 -0.28 -0.01 0.00 -0.96 0.00 0.00 56.93 55.78 3hag s PHE 211 Cb 0.07 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.95 3hag s PHE 211 CO -0.08 -0.30 -0.08 -1.58 -1.46 0.00 0.00 175.22 171.73 3hag s TRP 212 N 1.47 3.04 0.34 10.12 0.51 0.04 -4.45 118.94 130.00 3hag s TRP 212 Ca -0.02 -1.55 0.13 0.00 -2.12 0.00 0.00 56.10 52.54 3hag s TRP 212 Cb -0.13 -2.04 0.68 0.00 -0.81 0.00 0.00 33.47 31.17 3hag s TRP 212 CO -0.03 -0.73 1.79 -1.35 -0.51 0.00 0.00 176.95 176.11 3hag h PRO 213 N 8.00 0.00 -4.48 4.98 0.11 -1.94 0.24 132.00 138.91 3hag h PRO 213 Ca -0.34 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.02 3hag h PRO 213 Cb 1.11 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 3hag h PRO 213 CO 0.58 0.41 1.12 -0.65 -0.21 0.00 0.00 178.00 179.24 3hag s GLN 214 N -4.03 4.10 0.66 1.05 -1.52 -1.26 -4.46 119.66 114.19 3hag s GLN 214 Ca -0.02 -2.70 0.42 0.00 -1.95 0.00 0.00 55.36 51.10 3hag s GLN 214 Cb 0.14 -4.93 2.32 0.00 -0.22 0.00 0.00 33.01 30.31 3hag s GLN 214 CO 0.72 -1.64 2.35 1.15 -0.25 0.00 0.00 175.29 177.62 3hag h THR 215 N 4.47 0.09 -0.08 -0.19 2.02 -1.94 -2.02 112.91 115.26 3hag h THR 215 Ca 0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 3hag h THR 215 Cb 0.88 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3hag h THR 215 CO 1.18 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 177.70 3hag h THR 216 N 0.00 1.13 -3.56 3.16 2.02 -1.95 -3.39 112.91 110.32 3hag h THR 216 Ca 0.00 -0.57 -0.70 0.00 0.77 0.00 0.00 66.41 65.91 3hag h THR 216 Cb 0.02 1.19 -0.30 0.00 -1.74 0.00 0.00 68.15 67.32 3hag h THR 216 CO -0.00 0.17 -0.55 -0.89 0.37 0.00 0.00 175.52 174.62 3hag s THR 217 N -4.79 3.77 -0.11 3.16 2.01 -0.76 -4.95 115.64 113.97 3hag s THR 217 Ca -0.05 -1.45 -0.29 0.00 0.31 0.00 0.00 61.69 60.20 3hag s THR 217 Cb 0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 3hag s THR 217 CO 0.71 -0.40 1.41 -0.89 -0.69 0.00 0.00 174.62 174.76 3hag s THR 218 N 1.34 3.99 -0.48 -0.82 2.01 -1.26 -4.88 115.64 115.55 3hag s THR 218 Ca 0.02 1.21 -0.44 0.00 0.31 0.00 0.00 61.69 62.79 3hag s THR 218 Cb -0.22 -3.78 -0.18 0.00 0.01 0.00 0.00 72.50 68.33 3hag s THR 218 CO 0.01 -0.10 2.01 -0.81 -0.69 0.00 0.00 174.62 175.04 3hag n PRO 219 N 6.70 0.14 -0.25 4.92 -0.04 -1.25 -4.66 135.00 140.56 3hag n PRO 219 Ca 0.15 0.04 0.17 0.00 -0.04 0.00 0.00 63.50 63.83 3hag n PRO 219 Cb 0.44 -1.61 0.47 0.00 -0.04 0.00 0.00 33.50 32.76 3hag n PRO 219 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hag h THR 220 N 6.50 0.71 -3.67 0.52 1.35 -1.75 -3.32 112.91 113.25 3hag h THR 220 Ca -0.20 -0.16 -0.36 0.00 -0.55 0.00 0.00 66.41 65.13 3hag h THR 220 Cb 1.40 0.19 -0.31 0.00 -1.73 0.00 0.00 68.15 67.69 3hag h THR 220 CO 1.05 0.09 -0.76 -0.55 -0.25 0.00 0.00 175.52 175.10 3hag s SER 221 N -5.66 0.71 -0.23 5.36 0.15 -1.26 -4.06 113.70 108.72 3hag s SER 221 Ca -0.09 -0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.61 3hag s SER 221 Cb 0.23 -0.24 0.60 0.00 -1.71 0.00 0.00 66.02 64.89 3hag s SER 221 CO 0.78 -0.01 1.53 1.33 1.20 0.00 0.00 173.24 178.08 3hag n VAL 222 N 3.56 2.50 -1.62 4.45 0.24 -1.18 -4.69 118.33 121.59 3hag n VAL 222 Ca -0.20 -1.92 -0.38 0.00 -2.04 0.00 0.00 64.34 59.80 3hag n VAL 222 Cb 0.54 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.67 3hag n VAL 222 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3hag n ASP 223 N -0.43 0.89 -0.06 -1.34 -0.08 -1.26 -4.81 116.55 109.46 3hag n ASP 223 Ca 0.27 0.82 -0.10 0.00 -1.51 0.00 0.00 54.79 54.28 3hag n ASP 223 Cb 1.04 -1.40 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 3hag n ASP 223 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 3hag h MET 224 N 0.57 0.33 0.00 -0.67 1.85 -1.99 -2.02 114.93 113.00 3hag h MET 224 Ca -0.48 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 3hag h MET 224 Cb 1.36 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.32 3hag h MET 224 CO 0.51 0.25 0.00 0.09 -0.40 0.00 0.00 176.91 177.36 3hag n ASN 225 N -4.89 0.00 -0.04 1.39 3.02 -1.26 0.28 115.26 113.76 3hag n ASN 225 Ca -0.03 0.40 -0.21 0.00 -0.03 0.00 0.00 54.58 54.71 3hag n ASN 225 Cb 0.04 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.66 3hag n ASN 225 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hag n SER 226 N -1.42 2.06 -0.04 6.41 7.64 -0.79 -3.56 113.62 123.91 3hag n SER 226 Ca 0.02 0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.95 3hag n SER 226 Cb 0.05 -0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 62.35 3hag n SER 226 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hag h ILE 227 N -0.18 1.30 0.00 0.44 1.08 -0.99 -2.84 117.51 116.31 3hag h ILE 227 Ca -0.44 -1.86 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 3hag h ILE 227 Cb 1.86 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 37.56 3hag h ILE 227 CO -0.01 0.58 0.00 0.00 -0.69 0.00 0.00 178.15 178.04 3hag h THR 228 N 0.45 0.00 0.00 -0.27 1.03 -0.34 -2.36 112.91 111.43 3hag h THR 228 Ca -0.03 -0.09 -0.02 0.00 -0.01 0.00 0.00 66.41 66.26 3hag h THR 228 Cb 1.26 0.88 -0.05 0.00 -1.07 0.00 0.00 68.15 69.17 3hag h THR 228 CO 0.13 0.00 -0.41 -1.20 -0.01 0.00 0.00 175.52 174.03 3hag n SER 229 N -2.71 1.66 -4.96 0.00 7.64 -1.15 -5.05 113.62 109.06 3hag n SER 229 Ca -0.01 -3.22 -0.21 0.00 1.01 0.00 0.00 58.87 56.43 3hag n SER 229 Cb 0.10 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 3hag n SER 229 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hag s THR 230 N -2.40 2.26 0.15 0.44 -1.32 -0.89 -5.02 115.64 108.85 3hag s THR 230 Ca 0.32 -1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 59.40 3hag s THR 230 Cb 0.31 -2.48 0.03 0.00 -1.51 0.00 0.00 72.50 68.85 3hag s THR 230 CO -0.05 0.00 1.70 -0.78 -2.21 0.00 0.00 174.62 173.28 3hag h ASP 231 N 0.61 -0.19 -3.32 8.08 3.58 -1.90 -3.36 116.42 119.91 3hag h ASP 231 Ca -0.36 0.08 -0.60 0.00 0.42 0.00 0.00 57.03 56.56 3hag h ASP 231 Cb 1.29 0.15 -0.40 0.00 1.72 0.00 0.00 39.33 42.09 3hag h ASP 231 CO 0.50 -0.06 -0.76 -0.69 -2.88 0.00 0.00 179.24 175.35 3hag s VAL 232 N -6.20 1.14 0.03 2.25 1.01 -1.26 -5.09 120.40 112.28 3hag s VAL 232 Ca -0.13 -2.36 0.09 0.00 0.00 0.00 0.00 61.98 59.57 3hag s VAL 232 Cb 0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3hag s VAL 232 CO 0.70 -0.91 -0.25 0.00 0.00 0.00 0.00 175.10 174.64 3hag s ARG 233 N 0.52 1.90 -0.02 2.72 1.70 -1.26 -2.61 118.95 121.90 3hag s ARG 233 Ca 0.18 -1.06 -0.09 0.00 -0.47 0.00 0.00 55.73 54.29 3hag s ARG 233 Cb -0.24 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.12 3hag s ARG 233 CO 0.00 0.53 0.19 -1.50 -1.08 0.00 0.00 175.30 173.44 3hag s ILE 234 N -0.80 0.06 -0.04 4.99 2.07 -0.92 -5.04 121.20 121.52 3hag s ILE 234 Ca 0.12 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.86 3hag s ILE 234 Cb -0.10 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.04 3hag s ILE 234 CO 0.02 -0.29 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.43 3hag s LEU 235 N -1.11 1.78 0.28 8.50 2.96 -1.26 -2.63 118.68 127.21 3hag s LEU 235 Ca -0.12 -0.25 0.11 0.00 -0.22 0.00 0.00 54.13 53.66 3hag s LEU 235 Cb -0.06 -0.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 3hag s LEU 235 CO 0.02 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 3hag s VAL 236 N 0.25 2.65 0.51 1.68 1.01 0.13 -4.98 120.40 121.65 3hag s VAL 236 Ca -0.05 -2.28 0.02 0.00 0.00 0.00 0.00 61.98 59.66 3hag s VAL 236 Cb -0.11 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3hag s VAL 236 CO 0.01 -0.37 0.72 -1.10 0.00 0.00 0.00 175.10 174.36 3hag s GLN 237 N -3.56 2.72 -0.17 2.72 -1.52 -1.26 -1.98 119.66 116.61 3hag s GLN 237 Ca 0.31 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 3hag s GLN 237 Cb -0.05 -2.54 -0.05 0.00 -0.22 0.00 0.00 33.01 30.15 3hag s GLN 237 CO 0.16 -0.54 2.01 -2.14 -0.25 0.00 0.00 175.29 174.53 3hag s PRO 238 N -4.66 3.52 0.00 2.91 0.02 -1.26 -2.94 135.00 132.60 3hag s PRO 238 Ca 0.54 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3hag s PRO 238 Cb -0.10 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.18 3hag s PRO 238 CO 0.38 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.81 3hag n GLY 239 N 5.22 2.70 3.77 0.52 0.00 -1.26 -5.04 105.19 111.10 3hag n GLY 239 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 3hag n GLY 239 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hag s ILE 240 N -2.27 5.09 0.28 -0.61 -4.36 -1.15 -4.83 121.20 113.35 3hag s ILE 240 Ca 0.00 0.92 -0.21 0.00 -0.26 0.00 0.00 60.65 61.11 3hag s ILE 240 Cb 0.00 -3.78 -0.09 0.00 1.25 0.00 0.00 42.46 39.84 3hag s ILE 240 CO 0.00 0.44 0.80 0.00 0.24 0.00 0.00 174.94 176.43 3hag s ALA 241 N -0.18 3.31 0.26 2.27 0.00 -1.26 -4.49 121.76 121.68 3hag s ALA 241 Ca 0.25 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3hag s ALA 241 Cb -0.16 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3hag s ALA 241 CO 0.12 0.27 0.24 -1.54 0.00 0.00 0.00 175.76 174.85 3hag s SER 242 N -1.78 0.71 -0.05 0.00 1.04 -1.21 -5.03 113.70 107.39 3hag s SER 242 Ca 0.48 -1.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.36 3hag s SER 242 Cb -0.15 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3hag s SER 242 CO 0.20 -0.99 0.16 -0.70 0.98 0.00 0.00 173.24 172.90 3hag s GLU 243 N -3.80 0.28 -0.17 4.02 2.12 -1.26 -1.81 118.70 118.07 3hag s GLU 243 Ca 0.37 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.77 3hag s GLU 243 Cb 0.04 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.59 3hag s GLU 243 CO 0.18 -0.05 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.57 3hag s LEU 244 N -0.31 1.92 -0.30 2.70 2.96 0.92 -5.00 118.68 121.56 3hag s LEU 244 Ca -0.04 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.06 3hag s LEU 244 Cb -0.03 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3hag s LEU 244 CO 0.01 -0.11 0.28 -0.69 -1.32 0.00 0.00 176.35 174.51 3hag s VAL 245 N 1.47 5.24 -0.29 1.68 1.01 -1.26 -1.00 120.40 127.25 3hag s VAL 245 Ca 0.02 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3hag s VAL 245 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3hag s VAL 245 CO -0.09 0.10 1.45 -0.63 0.00 0.00 0.00 175.10 175.94 3hag s ILE 246 N 1.88 3.91 0.13 2.22 -1.09 -0.99 -4.94 121.20 122.32 3hag s ILE 246 Ca 0.10 1.01 -0.35 0.00 -2.23 0.00 0.00 60.65 59.18 3hag s ILE 246 Cb -0.16 -3.99 -0.16 0.00 -1.58 0.00 0.00 42.46 36.57 3hag s ILE 246 CO 0.11 -0.46 1.29 -2.65 -1.23 0.00 0.00 174.94 172.00 3hag n PRO 247 N 7.62 1.25 -0.19 2.79 -0.02 -1.26 -4.58 135.00 140.61 3hag n PRO 247 Ca 0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3hag n PRO 247 Cb 0.46 -2.05 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3hag n PRO 247 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hag h SER 248 N 4.19 -0.20 -0.95 2.55 0.87 -1.92 -0.85 113.55 117.24 3hag h SER 248 Ca -0.46 0.13 0.28 0.00 -1.23 0.00 0.00 61.79 60.51 3hag h SER 248 Cb 1.33 0.23 -0.17 0.00 -0.44 0.00 0.00 62.40 63.35 3hag h SER 248 CO 0.75 -0.08 0.14 -0.08 -0.53 0.00 0.00 176.83 177.04 3hag h GLU 249 N 0.15 0.06 -0.46 2.24 4.22 -1.95 0.33 114.58 119.16 3hag h GLU 249 Ca 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 3hag h GLU 249 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3hag h GLU 249 CO -0.47 0.04 0.29 0.00 -2.18 0.00 0.00 179.01 176.69 3hag h ARG 250 N 0.06 0.62 -0.25 1.92 2.47 -1.50 0.54 114.38 118.24 3hag h ARG 250 Ca 0.61 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 59.21 3hag h ARG 250 Cb 1.31 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 3hag h ARG 250 CO -0.83 0.44 -0.13 -0.07 0.56 0.00 0.00 179.97 179.94 3hag h LEU 251 N 0.62 0.55 -1.88 3.04 4.07 -0.48 -3.20 115.31 118.03 3hag h LEU 251 Ca 0.17 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.71 3hag h LEU 251 Cb -0.03 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3hag h LEU 251 CO -0.03 0.84 0.00 1.41 -1.08 0.00 0.00 178.44 179.58 3hag n HIS 252 N -4.47 0.49 0.91 1.13 8.25 0.14 -3.11 115.22 118.56 3hag n HIS 252 Ca -0.04 -0.24 0.12 0.00 -0.26 0.00 0.00 57.72 57.30 3hag n HIS 252 Cb 0.36 0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.01 3hag n HIS 252 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3hag n TYR 253 N 1.04 0.00 -3.91 4.41 0.18 0.19 -3.53 117.16 115.54 3hag n TYR 253 Ca 0.18 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.67 3hag n TYR 253 Cb 0.48 -0.47 -0.16 0.00 -0.38 0.00 0.00 39.34 38.82 3hag n TYR 253 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3hag s ARG 254 N -2.93 1.51 -1.44 -3.48 3.52 -1.26 -4.83 118.95 110.04 3hag s ARG 254 Ca 0.14 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 3hag s ARG 254 Cb 0.16 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 31.19 3hag s ARG 254 CO 0.44 -0.56 1.07 0.09 -0.81 0.00 0.00 175.30 175.54 3hag n ASN 255 N 4.76 -5.39 -2.99 -2.12 4.13 -1.26 -1.68 115.26 110.71 3hag n ASN 255 Ca -0.12 -0.67 -0.20 0.00 1.68 0.00 0.00 54.58 55.27 3hag n ASN 255 Cb 0.45 -4.43 0.01 0.00 -1.54 0.00 0.00 39.78 34.27 3hag n ASN 255 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hag n GLN 256 N -4.82 -3.52 -3.17 3.52 6.02 -1.23 -1.08 117.38 113.10 3hag n GLN 256 Ca 0.01 0.68 -0.23 0.00 -0.01 0.00 0.00 57.00 57.46 3hag n GLN 256 Cb 0.55 -5.42 0.03 0.00 1.02 0.00 0.00 30.24 26.41 3hag n GLN 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hag n GLY 257 N -1.20 -0.51 3.56 1.08 0.00 -0.68 -4.83 105.19 102.61 3hag n GLY 257 Ca -0.09 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3hag n GLY 257 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hag s TRP 258 N -3.12 3.19 0.40 1.61 0.52 -0.24 -3.90 118.94 117.41 3hag s TRP 258 Ca 0.35 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.52 3hag s TRP 258 Cb -0.17 -2.31 -0.08 0.00 -1.15 0.00 0.00 33.47 29.76 3hag s TRP 258 CO 0.44 -0.18 -0.00 1.03 0.02 0.00 0.00 176.95 178.26 3hag s ARG 259 N 1.57 1.93 -0.09 4.98 1.81 0.39 -4.93 118.95 124.61 3hag s ARG 259 Ca 0.07 -2.08 -0.23 0.00 -1.72 0.00 0.00 55.73 51.77 3hag s ARG 259 Cb -0.15 -1.62 -0.04 0.00 -0.45 0.00 0.00 34.95 32.69 3hag s ARG 259 CO 0.08 -0.03 0.67 0.45 -0.68 0.00 0.00 175.30 175.78 3hag s SER 260 N -3.69 6.92 0.11 0.23 0.15 0.30 -1.11 113.70 116.61 3hag s SER 260 Ca 0.35 1.11 -0.19 0.00 0.70 0.00 0.00 55.95 57.92 3hag s SER 260 Cb 0.09 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 3hag s SER 260 CO 0.18 -0.12 1.70 0.58 1.20 0.00 0.00 173.24 176.77 3hag h VAL 261 N 4.80 1.14 -3.95 4.45 2.07 0.14 -3.40 116.25 121.50 3hag h VAL 261 Ca -0.40 -0.39 -0.54 0.00 0.82 0.00 0.00 66.70 66.19 3hag h VAL 261 Cb 1.19 0.91 0.10 0.00 -1.52 0.00 0.00 31.29 31.97 3hag h VAL 261 CO 0.76 0.14 0.70 -0.70 0.02 0.00 0.00 177.57 178.49 3hag s GLU 262 N -5.76 3.97 -0.07 1.57 2.56 -1.26 -4.93 118.70 114.79 3hag s GLU 262 Ca -0.13 2.39 0.14 0.00 0.00 0.00 0.00 54.97 57.37 3hag s GLU 262 Cb 0.09 -2.84 -0.21 0.00 2.00 0.00 0.00 34.13 33.17 3hag s GLU 262 CO 0.72 -0.57 0.21 -2.37 -0.56 0.00 0.00 175.26 172.68 3hag n THR 263 N 0.22 0.40 -2.09 -1.70 5.66 -1.26 -4.79 114.28 110.73 3hag n THR 263 Ca 0.03 -0.45 -0.42 0.00 -3.05 0.00 0.00 64.05 60.16 3hag n THR 263 Cb 0.41 -0.18 -0.03 0.00 -1.55 0.00 0.00 70.33 68.99 3hag n THR 263 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hag s SER 264 N -4.14 6.74 -1.27 1.09 0.15 -1.26 -3.73 113.70 111.28 3hag s SER 264 Ca -0.06 2.40 -0.06 0.00 0.70 0.00 0.00 55.95 58.94 3hag s SER 264 Cb 0.07 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 3hag s SER 264 CO 0.60 -0.73 1.10 0.61 1.20 0.00 0.00 173.24 176.01 3hag n GLY 265 N 3.63 -0.45 3.27 9.45 0.00 -1.26 -5.02 105.19 114.80 3hag n GLY 265 Ca 0.13 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3hag n GLY 265 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hag s VAL 266 N -3.33 -0.00 0.35 1.61 1.01 -1.24 -5.13 120.40 113.66 3hag s VAL 266 Ca 0.36 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 3hag s VAL 266 Cb -0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 36.38 35.54 3hag s VAL 266 CO 0.71 0.01 0.73 0.00 0.00 0.00 0.00 175.10 176.55 3hag n ALA 267 N 3.11 -1.13 -0.34 5.51 0.00 -1.26 -4.79 120.51 121.61 3hag n ALA 267 Ca -0.15 0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.70 3hag n ALA 267 Cb 0.57 -1.86 0.34 0.00 0.00 0.00 0.00 19.45 18.51 3hag n ALA 267 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hag h GLU 268 N 1.24 0.70 -0.30 0.00 4.81 -1.94 -0.16 114.58 118.93 3hag h GLU 268 Ca -0.39 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3hag h GLU 268 Cb 1.38 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3hag h GLU 268 CO 0.55 0.46 0.11 0.93 -0.73 0.00 0.00 179.01 180.34 3hag h GLU 269 N 0.72 0.42 -0.00 1.92 4.39 -1.86 -2.59 114.58 117.57 3hag h GLU 269 Ca 0.57 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.23 3hag h GLU 269 Cb 0.95 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3hag h GLU 269 CO -0.37 0.36 -0.03 0.39 -1.16 0.00 0.00 179.01 178.20 3hag n GLU 270 N -4.41 0.66 -0.35 2.33 -0.58 -0.08 -3.63 120.64 114.59 3hag n GLU 270 Ca 0.01 -0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 3hag n GLU 270 Cb 0.14 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 3hag n GLU 270 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hag n ALA 271 N -1.10 2.08 -3.69 0.62 0.00 -1.02 -0.54 120.51 116.86 3hag n ALA 271 Ca 0.17 -1.53 -0.11 0.00 0.00 0.00 0.00 53.44 51.97 3hag n ALA 271 Cb 0.22 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 3hag n ALA 271 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hag s THR 272 N -0.94 -0.03 -1.30 0.00 -1.32 -1.01 -4.73 115.64 106.31 3hag s THR 272 Ca 0.10 0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.63 3hag s THR 272 Cb 0.09 -0.55 0.14 0.00 -1.51 0.00 0.00 72.50 70.67 3hag s THR 272 CO 0.01 0.04 2.28 -1.20 -2.21 0.00 0.00 174.62 173.54 3hag n SER 273 N 4.22 7.60 0.00 8.08 7.64 0.11 -4.75 113.62 136.53 3hag n SER 273 Ca -0.24 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.48 3hag n SER 273 Cb 0.55 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 3hag n SER 273 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hag n GLY 274 N 1.79 -1.45 3.40 0.23 0.00 -1.26 -4.39 105.19 103.51 3hag n GLY 274 Ca 0.58 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 3hag n GLY 274 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hag s LEU 275 N -3.89 2.86 -0.13 0.99 2.96 0.84 0.59 118.68 122.90 3hag s LEU 275 Ca 0.00 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3hag s LEU 275 Cb 0.00 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3hag s LEU 275 CO 0.00 0.15 0.14 -0.69 -1.32 0.00 0.00 176.35 174.63 3hag s VAL 276 N 0.44 5.48 -0.05 1.68 1.01 -0.06 -0.78 120.40 128.12 3hag s VAL 276 Ca -0.08 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3hag s VAL 276 Cb -0.15 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.86 3hag s VAL 276 CO 0.04 0.60 0.10 -0.32 0.00 0.00 0.00 175.10 175.52 3hag s MET 277 N -0.87 0.01 -0.25 2.72 1.75 -0.40 -2.15 119.30 120.11 3hag s MET 277 Ca 0.14 0.36 -0.02 0.00 -1.25 0.00 0.00 55.69 54.92 3hag s MET 277 Cb -0.12 -0.28 0.02 0.00 2.84 0.00 0.00 34.83 37.29 3hag s MET 277 CO 0.03 -0.23 -0.05 -1.17 -0.65 0.00 0.00 175.02 172.96 3hag s LEU 278 N 1.56 3.18 0.17 4.11 1.98 0.18 -1.19 118.68 128.66 3hag s LEU 278 Ca -0.04 -0.78 0.09 0.00 -2.89 0.00 0.00 54.13 50.51 3hag s LEU 278 Cb -0.12 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 45.00 3hag s LEU 278 CO -0.04 -0.11 -0.20 0.00 -1.89 0.00 0.00 176.35 174.10 3hag s ILE 280 N -1.93 3.09 -0.19 0.00 2.07 -0.21 -0.13 121.20 123.90 3hag s ILE 280 Ca 0.17 -0.65 -0.02 0.00 -1.41 0.00 0.00 60.65 58.74 3hag s ILE 280 Cb -0.06 -2.30 -0.00 0.00 0.13 0.00 0.00 42.46 40.23 3hag s ILE 280 CO 0.07 0.52 -0.11 -1.00 -1.91 0.00 0.00 174.94 172.52 3hag s HIS 281 N 0.36 2.87 0.00 3.50 3.76 0.21 -2.16 115.29 123.83 3hag s HIS 281 Ca -0.10 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 3hag s HIS 281 Cb -0.16 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3hag s HIS 281 CO 0.05 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.82 3hag n GLY 282 N 4.42 1.66 3.55 -2.22 0.00 -0.96 0.12 105.19 111.76 3hag n GLY 282 Ca -0.19 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 3hag n GLY 282 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hag s SER 283 N 0.00 5.69 -0.09 1.61 0.15 -1.18 -4.76 113.70 115.12 3hag s SER 283 Ca 0.00 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 3hag s SER 283 Cb 0.00 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 3hag s SER 283 CO 0.00 -0.02 1.59 -2.16 1.20 0.00 0.00 173.24 173.86 3hag s PRO 284 N 1.55 4.14 -0.00 5.44 0.04 -1.26 -4.38 135.00 140.52 3hag s PRO 284 Ca 0.07 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.21 3hag s PRO 284 Cb -0.15 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 3hag s PRO 284 CO 0.07 -0.89 -0.18 0.08 0.04 0.00 0.00 177.00 176.12 3hag s VAL 285 N 4.13 2.74 -0.30 -0.36 1.01 -0.18 -1.95 120.40 125.49 3hag s VAL 285 Ca 0.71 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 3hag s VAL 285 Cb -0.31 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3hag s VAL 285 CO 0.27 0.48 0.87 0.21 0.00 0.00 0.00 175.10 176.94 3hag s ASN 286 N -1.01 6.76 0.05 3.32 3.84 0.53 -1.91 114.94 126.52 3hag s ASN 286 Ca 0.13 0.82 -0.25 0.00 0.21 0.00 0.00 52.86 53.77 3hag s ASN 286 Cb -0.10 -2.45 -0.17 0.00 -0.55 0.00 0.00 41.25 37.98 3hag s ASN 286 CO 0.02 -0.67 1.56 -1.28 -2.79 0.00 0.00 177.10 173.94 3hag h SER 287 N 8.04 -0.16 -0.18 -4.21 0.87 -1.77 0.53 113.55 116.67 3hag h SER 287 Ca -0.23 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 3hag h SER 287 Cb 1.09 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3hag h SER 287 CO 0.92 0.02 -0.07 1.88 -0.53 0.00 0.00 176.83 179.05 3hag h TYR 288 N -0.33 0.54 0.00 2.24 0.99 -1.93 -3.21 116.97 115.28 3hag h TYR 288 Ca -0.02 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3hag h TYR 288 Cb 0.26 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.84 3hag h TYR 288 CO -0.02 0.58 -1.38 2.41 -0.00 0.00 0.00 178.16 179.74 3hag n THR 289 N -4.23 0.00 -3.33 -2.88 -1.04 -1.23 -4.98 114.28 96.58 3hag n THR 289 Ca 0.01 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 3hag n THR 289 Cb 0.29 0.49 0.06 0.00 -1.82 0.00 0.00 70.33 69.35 3hag n THR 289 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hag n ASN 290 N -1.81 -5.02 -4.73 8.00 5.15 0.17 -5.03 115.26 111.98 3hag n ASN 290 Ca -0.00 -0.43 -0.23 0.00 -0.60 0.00 0.00 54.58 53.31 3hag n ASN 290 Cb 0.38 -4.07 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 3hag n ASN 290 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hag s THR 291 N -3.25 2.99 -0.02 -0.44 2.01 -1.22 -4.92 115.64 110.78 3hag s THR 291 Ca 0.40 -1.70 -0.28 0.00 0.31 0.00 0.00 61.69 60.43 3hag s THR 291 Cb -0.18 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3hag s THR 291 CO 0.57 -0.17 0.88 -2.84 -0.69 0.00 0.00 174.62 172.37 3hag s PRO 292 N -3.85 4.52 -0.83 4.92 0.02 -1.26 -0.35 135.00 138.17 3hag s PRO 292 Ca 0.38 1.23 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 3hag s PRO 292 Cb -0.02 -3.46 0.06 0.00 0.02 0.00 0.00 34.50 31.11 3hag s PRO 292 CO 0.23 -0.01 1.21 -0.47 -0.33 0.00 0.00 177.00 177.63 3hag s TYR 293 N 0.94 2.61 -1.37 6.54 5.04 -0.82 -4.83 117.35 125.46 3hag s TYR 293 Ca 0.47 -0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 54.31 3hag s TYR 293 Cb -0.20 -4.49 0.08 0.00 0.35 0.00 0.00 41.96 37.70 3hag s TYR 293 CO 0.25 -1.82 1.98 0.25 -1.34 0.00 0.00 175.55 174.87 3hag n THR 294 N 6.23 3.79 -4.00 4.34 -2.24 -1.26 -4.81 114.28 116.33 3hag n THR 294 Ca 0.13 -3.65 -0.09 0.00 -2.27 0.00 0.00 64.05 58.16 3hag n THR 294 Cb 0.49 -2.49 -0.05 0.00 -2.10 0.00 0.00 70.33 66.18 3hag n THR 294 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hag s GLY 295 N 3.09 0.56 0.24 3.38 0.00 -1.26 -5.06 107.32 108.27 3hag s GLY 295 Ca 0.47 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 3hag s GLY 295 CO -0.02 -0.62 1.46 0.00 0.00 0.00 0.00 173.10 173.91 3hag s ALA 296 N -3.94 3.65 -0.21 3.20 0.00 -1.26 -4.39 121.76 118.80 3hag s ALA 296 Ca 0.22 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 3hag s ALA 296 Cb -0.01 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 3hag s ALA 296 CO 0.10 -0.76 -0.30 1.28 0.00 0.00 0.00 175.76 176.07 3hag n LEU 297 N 2.48 1.93 0.00 0.00 4.77 -0.51 -3.77 117.00 121.89 3hag n LEU 297 Ca 0.07 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3hag n LEU 297 Cb 0.40 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hag n LEU 297 CO 0.61 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3hag n GLY 298 N 1.41 -0.81 3.14 -0.72 0.00 -1.24 0.20 105.19 107.17 3hag n GLY 298 Ca -0.26 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3hag n GLY 298 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hag s LEU 299 N 0.00 1.64 -0.03 0.99 2.34 -0.05 0.17 118.68 123.74 3hag s LEU 299 Ca 0.00 -0.48 -0.20 0.00 0.06 0.00 0.00 54.13 53.51 3hag s LEU 299 Cb 0.00 0.74 -0.05 0.00 -0.56 0.00 0.00 46.19 46.32 3hag s LEU 299 CO 0.00 -0.53 0.58 -0.76 -1.06 0.00 0.00 176.35 174.58 3hag s LEU 300 N -2.13 4.38 -0.30 1.48 1.43 -1.26 -1.87 118.68 120.40 3hag s LEU 300 Ca -0.05 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 3hag s LEU 300 Cb -0.01 -2.89 0.05 0.00 0.03 0.00 0.00 46.19 43.37 3hag s LEU 300 CO -0.05 0.06 0.01 -1.81 0.23 0.00 0.00 176.35 174.80 3hag s ASP 301 N 0.05 4.93 -0.32 2.29 -0.00 0.90 -1.55 116.67 122.97 3hag s ASP 301 Ca 0.31 -1.25 -0.17 0.00 -0.00 0.00 0.00 52.55 51.44 3hag s ASP 301 Cb -0.18 -1.73 -0.02 0.00 -0.00 0.00 0.00 42.92 41.00 3hag s ASP 301 CO 0.16 -0.26 0.45 -0.36 -0.00 0.00 0.00 175.17 175.15 3hag s PHE 302 N 1.27 3.21 -0.48 4.23 0.40 0.13 -1.05 117.98 125.71 3hag s PHE 302 Ca -0.05 0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 56.47 3hag s PHE 302 Cb -0.20 -2.75 0.12 0.00 0.51 0.00 0.00 43.02 40.70 3hag s PHE 302 CO -0.01 -0.40 0.33 0.00 0.70 0.00 0.00 175.22 175.84 3hag s ALA 303 N 2.22 3.36 0.08 5.36 0.00 -0.55 -1.68 121.76 130.56 3hag s ALA 303 Ca 0.17 -2.61 0.09 0.00 0.00 0.00 0.00 51.96 49.60 3hag s ALA 303 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3hag s ALA 303 CO 0.12 -1.90 -0.22 -0.51 0.00 0.00 0.00 175.76 173.24 3hag s LEU 304 N 1.17 2.45 -0.22 0.00 1.43 -0.35 -1.33 118.68 121.83 3hag s LEU 304 Ca 0.08 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3hag s LEU 304 Cb -0.24 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3hag s LEU 304 CO -0.02 0.22 -0.11 -0.70 0.23 0.00 0.00 176.35 175.96 3hag s GLU 305 N -1.70 2.19 0.34 1.70 2.12 -0.62 -0.67 118.70 122.05 3hag s GLU 305 Ca 0.14 -0.99 0.09 0.00 0.36 0.00 0.00 54.97 54.58 3hag s GLU 305 Cb -0.10 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 3hag s GLU 305 CO 0.06 -0.45 0.03 -0.51 -0.54 0.00 0.00 175.26 173.85 3hag s LEU 306 N 1.30 3.03 -0.04 2.70 1.43 -0.22 -0.58 118.68 126.30 3hag s LEU 306 Ca -0.03 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 3hag s LEU 306 Cb -0.17 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3hag s LEU 306 CO -0.08 -0.24 -0.06 -1.61 0.23 0.00 0.00 176.35 174.59 3hag s GLU 307 N -3.74 0.93 -0.13 1.70 2.02 -0.29 -1.66 118.70 117.53 3hag s GLU 307 Ca 0.35 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.13 3hag s GLU 307 Cb -0.01 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 3hag s GLU 307 CO 0.20 -0.02 -0.06 -0.06 0.02 0.00 0.00 175.26 175.35 3hag s PHE 308 N 0.67 2.98 0.00 1.61 0.40 -0.20 -1.37 117.98 122.08 3hag s PHE 308 Ca -0.10 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3hag s PHE 308 Cb -0.13 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.52 3hag s PHE 308 CO 0.01 0.03 0.00 -2.13 0.70 0.00 0.00 175.22 173.83 3hag n ARG 309 N 3.22 0.00 -2.70 0.44 0.63 0.61 -1.17 116.66 117.68 3hag n ARG 309 Ca -0.18 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.33 3hag n ARG 309 Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 3hag n ARG 309 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3hag s ASN 310 N -1.00 6.84 0.11 6.15 0.01 -1.26 -4.49 114.94 121.30 3hag s ASN 310 Ca 0.00 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.74 3hag s ASN 310 Cb 0.00 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.07 3hag s ASN 310 CO 0.00 -0.87 1.33 -0.22 -1.51 0.00 0.00 177.10 175.83 3hag s LEU 311 N 3.58 4.38 -0.51 0.60 2.96 -1.26 0.49 118.68 128.91 3hag s LEU 311 Ca 0.43 2.25 0.07 0.00 -0.22 0.00 0.00 54.13 56.65 3hag s LEU 311 Cb -0.12 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.17 3hag s LEU 311 CO 0.16 -0.59 0.73 -0.89 -1.32 0.00 0.00 176.35 174.45 3hag s THR 312 N 0.97 -1.00 -0.46 3.68 2.01 0.82 -4.83 115.64 116.83 3hag s THR 312 Ca 0.62 -0.96 -0.45 0.00 0.31 0.00 0.00 61.69 61.21 3hag s THR 312 Cb -0.35 0.00 -0.19 0.00 0.01 0.00 0.00 72.50 71.97 3hag s THR 312 CO 0.31 0.00 1.68 -2.65 -0.69 0.00 0.00 174.62 173.27 3hag n PRO 313 N 3.00 0.22 -1.27 4.92 -0.01 -1.23 -1.39 135.00 139.23 3hag n PRO 313 Ca 0.18 0.08 -0.08 0.00 -0.01 0.00 0.00 63.50 63.67 3hag n PRO 313 Cb 0.56 -1.62 -0.03 0.00 -0.01 0.00 0.00 33.50 32.40 3hag n PRO 313 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3hag n GLY 314 N 4.35 0.95 0.27 -1.23 0.00 -1.26 -4.56 105.19 103.71 3hag n GLY 314 Ca 0.32 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3hag n GLY 314 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hag n ASN 315 N 0.71 -0.27 -3.70 1.61 4.05 -0.49 -4.67 115.26 112.50 3hag n ASN 315 Ca -0.08 1.31 -0.23 0.00 0.45 0.00 0.00 54.58 56.03 3hag n ASN 315 Cb 0.27 -0.40 -0.06 0.00 1.23 0.00 0.00 39.78 40.82 3hag n ASN 315 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3hag n THR 316 N -5.24 0.00 -1.26 -0.44 -2.24 -1.21 -4.95 114.28 98.94 3hag n THR 316 Ca 0.12 -2.05 -0.29 0.00 -2.27 0.00 0.00 64.05 59.57 3hag n THR 316 Cb 0.39 0.66 0.18 0.00 -2.10 0.00 0.00 70.33 69.46 3hag n THR 316 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hag s ASN 317 N -3.21 2.61 0.00 3.42 4.22 -1.26 -4.88 114.94 115.84 3hag s ASN 317 Ca 0.14 1.04 0.00 0.00 -2.14 0.00 0.00 52.86 51.90 3hag s ASN 317 Cb 0.01 -1.63 0.00 0.00 1.28 0.00 0.00 41.25 40.90 3hag s ASN 317 CO 0.10 -3.12 0.00 0.35 -2.04 0.00 0.00 177.10 172.38 3hag n THR 318 N -4.15 0.00 -4.01 0.54 -2.24 -1.26 -4.76 114.28 98.39 3hag n THR 318 Ca 0.06 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 3hag n THR 318 Cb 0.58 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 3hag n THR 318 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hag s ARG 319 N -0.63 3.82 -0.03 -0.78 0.52 -1.26 -4.45 118.95 116.15 3hag s ARG 319 Ca 0.00 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 3hag s ARG 319 Cb 0.00 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 3hag s ARG 319 CO 0.00 0.38 -0.19 0.14 0.02 0.00 0.00 175.30 175.65 3hag s VAL 320 N 0.06 1.55 -0.02 3.52 -7.23 0.23 -4.92 120.40 113.59 3hag s VAL 320 Ca 0.06 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3hag s VAL 320 Cb -0.12 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 3hag s VAL 320 CO 0.01 0.44 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.70 3hag s SER 321 N -0.29 4.40 -0.34 4.85 0.01 -1.26 -1.30 113.70 119.77 3hag s SER 321 Ca 0.03 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.15 3hag s SER 321 Cb -0.09 -0.99 0.15 0.00 0.21 0.00 0.00 66.02 65.29 3hag s SER 321 CO 0.00 0.31 0.33 -0.60 0.41 0.00 0.00 173.24 173.69 3hag s ARG 322 N -1.14 0.52 -0.06 12.44 3.52 0.19 -1.08 118.95 133.35 3hag s ARG 322 Ca 0.15 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 3hag s ARG 322 Cb -0.11 -0.77 -0.03 0.00 -1.56 0.00 0.00 34.95 32.48 3hag s ARG 322 CO 0.04 -1.14 -0.04 0.71 -0.81 0.00 0.00 175.30 174.06 3hag s TYR 323 N 1.71 3.01 0.06 5.12 1.51 0.03 -1.11 117.35 127.68 3hag s TYR 323 Ca 0.14 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.32 3hag s TYR 323 Cb -0.16 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3hag s TYR 323 CO -0.13 0.39 -0.13 -1.54 -1.11 0.00 0.00 175.55 173.02 3hag s SER 324 N -0.97 1.56 -0.17 2.29 1.04 -1.26 0.15 113.70 116.33 3hag s SER 324 Ca 0.14 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 3hag s SER 324 Cb -0.11 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.01 3hag s SER 324 CO 0.03 -0.06 0.07 -0.55 0.98 0.00 0.00 173.24 173.72 3hag s SER 325 N -1.51 2.45 -0.78 7.02 0.15 0.56 -4.81 113.70 116.78 3hag s SER 325 Ca -0.02 -0.64 -0.19 0.00 0.70 0.00 0.00 55.95 55.81 3hag s SER 325 Cb -0.09 -0.35 0.13 0.00 -1.71 0.00 0.00 66.02 63.99 3hag s SER 325 CO 0.02 -0.33 0.93 -0.94 1.20 0.00 0.00 173.24 174.12 3hag s SER 326 N 2.05 6.46 0.00 5.45 1.04 -1.26 -2.77 113.70 124.67 3hag s SER 326 Ca 0.01 -1.82 0.00 0.00 0.48 0.00 0.00 55.95 54.62 3hag s SER 326 Cb -0.16 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3hag s SER 326 CO -0.08 -1.06 0.00 0.00 0.98 0.00 0.00 173.24 173.08 3hag n ALA 327 N 6.26 0.00 -1.86 5.32 0.00 -1.07 -5.01 120.51 124.16 3hag n ALA 327 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 3hag n ALA 327 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 3hag n ALA 327 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hag s ARG 328 N -1.72 4.39 0.03 0.00 0.52 -1.26 -2.06 118.95 118.86 3hag s ARG 328 Ca 0.00 2.12 0.01 0.00 -0.52 0.00 0.00 55.73 57.34 3hag s ARG 328 Cb 0.00 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3hag s ARG 328 CO 0.00 -0.19 -0.06 -1.01 0.02 0.00 0.00 175.30 174.06 3hag s HIS 329 N -0.57 0.50 -0.00 -0.53 3.76 -1.26 -4.84 115.29 112.34 3hag s HIS 329 Ca 0.52 -0.49 -0.04 0.00 -0.15 0.00 0.00 55.06 54.90 3hag s HIS 329 Cb -0.38 -0.31 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 3hag s HIS 329 CO 0.45 -0.12 0.08 0.15 -0.85 0.00 0.00 174.74 174.45 3hag s LYS 330 N -1.46 0.33 -0.86 1.40 1.02 -1.26 0.24 119.74 119.15 3hag s LYS 330 Ca -0.12 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 3hag s LYS 330 Cb -0.10 0.13 0.22 0.00 -0.52 0.00 0.00 37.83 37.57 3hag s LYS 330 CO -0.00 -0.07 0.81 -0.51 -0.92 0.00 0.00 175.35 174.66 3hag s LEU 331 N -0.99 6.71 0.03 3.17 1.43 0.92 -4.40 118.68 125.55 3hag s LEU 331 Ca -0.11 -2.78 -0.30 0.00 -1.03 0.00 0.00 54.13 49.91 3hag s LEU 331 Cb -0.06 -2.21 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 3hag s LEU 331 CO 0.00 -0.55 1.37 -0.13 0.23 0.00 0.00 176.35 177.28 3hag s ARG 332 N 0.04 4.31 -0.56 1.70 0.52 -1.00 -1.65 118.95 122.31 3hag s ARG 332 Ca 0.19 1.97 -0.26 0.00 -0.52 0.00 0.00 55.73 57.11 3hag s ARG 332 Cb -0.10 -3.47 0.03 0.00 0.52 0.00 0.00 34.95 31.94 3hag s ARG 332 CO -0.09 -0.50 1.07 0.50 0.02 0.00 0.00 175.30 176.30 3hag s ARG 333 N 1.93 3.45 0.23 3.54 3.52 -1.26 -2.20 118.95 128.17 3hag s ARG 333 Ca 0.63 0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 56.25 3hag s ARG 333 Cb -0.32 -4.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.11 3hag s ARG 333 CO 0.28 -1.56 0.23 0.41 -0.81 0.00 0.00 175.30 173.85 3hag n GLY 334 N 5.06 -2.22 0.35 8.12 0.00 -0.86 -4.81 105.19 110.84 3hag n GLY 334 Ca 0.06 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.68 3hag n GLY 334 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hag n PRO 335 N -2.03 -0.08 -0.32 1.61 -0.02 -1.26 -1.32 135.00 131.58 3hag n PRO 335 Ca 0.03 1.52 0.12 0.00 -2.02 0.00 0.00 63.50 63.15 3hag n PRO 335 Cb 0.12 -2.34 0.29 0.00 -0.02 0.00 0.00 33.50 31.54 3hag n PRO 335 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hag n ASP 336 N -5.55 3.78 0.00 2.55 5.75 -1.26 -4.94 116.55 116.88 3hag n ASP 336 Ca 0.20 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3hag n ASP 336 Cb 0.65 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3hag n ASP 336 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hag n GLY 337 N 1.62 0.70 3.95 6.12 0.00 -0.43 -5.05 105.19 112.10 3hag n GLY 337 Ca 0.23 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3hag n GLY 337 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hag s THR 338 N -2.00 5.18 0.20 2.61 -4.23 -1.26 -1.80 115.64 114.34 3hag s THR 338 Ca 0.00 -0.71 -0.22 0.00 -1.18 0.00 0.00 61.69 59.58 3hag s THR 338 Cb 0.00 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 3hag s THR 338 CO 0.00 -0.44 0.75 0.00 -0.54 0.00 0.00 174.62 174.39 3hag s ALA 339 N -2.15 3.42 0.06 3.99 0.00 -0.48 -2.02 121.76 124.59 3hag s ALA 339 Ca 0.37 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.63 3hag s ALA 339 Cb -0.09 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3hag s ALA 339 CO 0.33 0.31 -0.11 -1.21 0.00 0.00 0.00 175.76 175.07 3hag s GLU 340 N -1.61 0.70 -0.03 0.00 2.02 -0.93 -1.97 118.70 116.88 3hag s GLU 340 Ca 0.40 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3hag s GLU 340 Cb -0.19 -0.54 0.01 0.00 0.10 0.00 0.00 34.13 33.51 3hag s GLU 340 CO 0.23 0.11 -0.05 -1.17 0.02 0.00 0.00 175.26 174.40 3hag s LEU 341 N -1.81 1.52 -0.22 1.80 2.96 0.17 -2.38 118.68 120.72 3hag s LEU 341 Ca -0.04 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3hag s LEU 341 Cb -0.09 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 3hag s LEU 341 CO 0.01 -0.01 0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 3hag s THR 342 N 0.61 4.53 -0.12 3.68 2.01 -1.26 -0.28 115.64 124.81 3hag s THR 342 Ca -0.08 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 3hag s THR 342 Cb -0.12 -3.08 0.08 0.00 0.01 0.00 0.00 72.50 69.39 3hag s THR 342 CO 0.00 0.39 0.73 0.28 -0.69 0.00 0.00 174.62 175.33 3hag s THR 343 N 1.05 0.00 0.45 -0.82 -1.32 -0.09 -4.80 115.64 110.11 3hag s THR 343 Ca 0.04 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.70 3hag s THR 343 Cb -0.14 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.22 3hag s THR 343 CO 0.03 0.00 1.93 0.74 -2.21 0.00 0.00 174.62 175.11 3hag h THR 344 N 3.21 0.76 -0.15 5.08 2.02 -1.94 -0.73 112.91 121.16 3hag h THR 344 Ca -0.27 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3hag h THR 344 Cb 1.15 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3hag h THR 344 CO 0.30 0.06 0.14 0.00 0.37 0.00 0.00 175.52 176.38 3hag h ALA 345 N 1.65 1.92 -0.11 6.16 0.00 -1.88 -0.91 119.26 126.10 3hag h ALA 345 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hag h ALA 345 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hag h ALA 345 CO -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.94 3hag n ALA 346 N -2.44 2.54 -0.26 0.00 0.00 -0.28 -4.54 120.51 115.53 3hag n ALA 346 Ca 0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 3hag n ALA 346 Cb 0.26 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3hag n ALA 346 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hag h THR 347 N 2.36 0.00 -0.07 0.00 2.02 -1.26 -0.36 112.91 115.60 3hag h THR 347 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 3hag h THR 347 Cb 0.51 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3hag h THR 347 CO 0.00 0.00 -0.73 -0.09 0.37 0.00 0.00 175.52 175.07 3hag h ARG 348 N -0.09 0.37 -0.05 6.66 2.43 -1.83 -2.89 114.38 118.98 3hag h ARG 348 Ca 0.10 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3hag h ARG 348 Cb 0.36 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hag h ARG 348 CO -0.65 0.94 0.17 0.35 -1.51 0.00 0.00 179.97 179.28 3hag h PHE 349 N 0.25 0.00 -0.16 2.20 -0.00 -1.60 -2.51 116.94 115.12 3hag h PHE 349 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.86 3hag h PHE 349 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.24 3hag h PHE 349 CO 0.04 0.00 -0.24 1.98 -0.00 0.00 0.00 178.31 180.09 3hag h MET 350 N 0.00 0.29 -3.11 1.11 4.05 -0.87 -3.33 114.93 113.07 3hag h MET 350 Ca 0.02 -0.10 -0.63 0.00 -0.28 0.00 0.00 59.70 58.72 3hag h MET 350 Cb 0.36 -0.02 0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3hag h MET 350 CO -0.00 0.52 3.65 1.63 0.23 0.00 0.00 176.91 182.94 3hag n LYS 351 N -4.16 3.43 -0.46 0.39 5.02 -0.95 -4.93 118.16 116.50 3hag n LYS 351 Ca -0.01 -2.10 -0.29 0.00 -2.02 0.00 0.00 58.31 53.89 3hag n LYS 351 Cb 0.36 -2.77 0.27 0.00 -0.02 0.00 0.00 35.03 32.88 3hag n LYS 351 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hag s ASP 352 N 2.40 0.04 -0.05 4.39 2.15 -1.25 -2.89 116.67 121.46 3hag s ASP 352 Ca 0.65 1.24 -0.08 0.00 0.43 0.00 0.00 52.55 54.78 3hag s ASP 352 Cb 0.17 -1.88 -0.29 0.00 -0.30 0.00 0.00 42.92 40.62 3hag s ASP 352 CO -0.06 -4.74 0.67 0.25 -0.17 0.00 0.00 175.17 171.13 3hag h LEU 353 N -2.99 0.54 -1.94 -1.34 5.85 -1.44 -3.34 115.31 110.64 3hag h LEU 353 Ca -0.55 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.31 3hag h LEU 353 Cb 1.34 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3hag h LEU 353 CO 0.42 1.71 -0.09 -0.74 -0.34 0.00 0.00 178.44 179.40 3hag h HIS 354 N 0.09 0.00 -2.41 1.25 2.76 -1.86 -3.45 115.15 111.53 3hag h HIS 354 Ca -0.33 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.30 3hag h HIS 354 Cb 2.08 0.00 0.04 0.00 1.55 0.00 0.00 27.41 31.07 3hag h HIS 354 CO 0.09 0.09 1.10 1.19 -1.30 0.00 0.00 177.93 179.10 3hag n PHE 355 N -4.17 2.56 -1.31 5.26 0.99 -1.25 -5.07 117.46 114.46 3hag n PHE 355 Ca -0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3hag n PHE 355 Cb 0.17 -2.72 0.00 0.00 -1.00 0.00 0.00 39.48 35.93 3hag n PHE 355 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3hag n THR 356 N 4.75 0.00 -5.25 4.37 -1.04 -1.26 -5.00 114.28 110.85 3hag n THR 356 Ca 0.19 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.89 3hag n THR 356 Cb 0.36 0.35 -0.16 0.00 -1.82 0.00 0.00 70.33 69.06 3hag n THR 356 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hag s VAL 361 N 0.00 1.99 -1.34 12.58 1.01 -1.26 -5.31 120.40 128.07 3hag s VAL 361 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 3hag s VAL 361 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hag s VAL 361 CO 0.00 0.56 0.55 0.61 0.00 0.00 0.00 175.10 176.82 3hag n GLY 362 N 2.65 -0.35 3.37 4.51 0.00 0.64 -4.98 105.19 111.02 3hag n GLY 362 Ca -0.16 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3hag n GLY 362 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hag s GLU 363 N -5.56 1.45 0.01 1.61 2.12 -1.26 -4.85 118.70 112.22 3hag s GLU 363 Ca 0.27 -1.28 -0.03 0.00 0.36 0.00 0.00 54.97 54.29 3hag s GLU 363 Cb -0.12 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 3hag s GLU 363 CO 0.34 0.45 0.22 0.14 -0.54 0.00 0.00 175.26 175.86 3hag s VAL 364 N -1.02 5.39 0.13 3.70 -7.23 -1.26 -1.50 120.40 118.60 3hag s VAL 364 Ca 0.13 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.23 3hag s VAL 364 Cb -0.10 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3hag s VAL 364 CO 0.05 0.30 0.15 -0.83 -0.31 0.00 0.00 175.10 174.46 3hag s GLY 365 N -1.98 1.86 -0.54 2.32 0.00 0.12 -5.00 107.32 104.09 3hag s GLY 365 Ca 0.29 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.67 3hag s GLY 365 CO 0.20 -1.08 1.03 1.09 0.00 0.00 0.00 173.10 174.34 3hag s ARG 366 N -2.85 3.44 0.00 2.90 1.70 -1.26 -4.23 118.95 118.65 3hag s ARG 366 Ca 0.31 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.58 3hag s ARG 366 Cb -0.11 -4.02 0.00 0.00 -0.57 0.00 0.00 34.95 30.25 3hag s ARG 366 CO 0.24 -1.51 0.00 0.41 -1.08 0.00 0.00 175.30 173.36 3hag n GLY 367 N 5.06 0.96 3.61 3.88 0.00 -1.26 -4.60 105.19 112.85 3hag n GLY 367 Ca 0.05 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 3hag n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hag s ILE 368 N 0.00 3.76 -0.01 -0.61 1.01 -1.13 -4.18 121.20 120.04 3hag s ILE 368 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3hag s ILE 368 Cb 0.00 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 3hag s ILE 368 CO 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 3hag s ALA 369 N -0.99 0.42 0.15 9.38 0.00 -0.34 -0.44 121.76 129.94 3hag s ALA 369 Ca 0.17 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 3hag s ALA 369 Cb -0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3hag s ALA 369 CO 0.07 0.08 1.31 -1.17 0.00 0.00 0.00 175.76 176.05 3hag s LEU 370 N 0.01 4.40 -0.06 0.00 1.98 -0.49 -0.44 118.68 124.07 3hag s LEU 370 Ca 0.00 2.31 0.05 0.00 -2.89 0.00 0.00 54.13 53.61 3hag s LEU 370 Cb -0.03 -3.60 -0.01 0.00 0.66 0.00 0.00 46.19 43.21 3hag s LEU 370 CO -0.00 -0.54 -0.23 -0.89 -1.89 0.00 0.00 176.35 172.80 3hag s THR 371 N 0.51 1.88 0.08 3.68 2.01 0.64 -1.81 115.64 122.63 3hag s THR 371 Ca 0.59 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.73 3hag s THR 371 Cb -0.35 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 3hag s THR 371 CO 0.34 0.53 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.78 3hag s LEU 372 N -0.01 2.23 0.17 4.42 1.43 -0.38 -1.78 118.68 124.76 3hag s LEU 372 Ca -0.06 -0.65 0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3hag s LEU 372 Cb -0.14 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3hag s LEU 372 CO 0.04 0.22 -0.23 -0.36 0.23 0.00 0.00 176.35 176.25 3hag s PHE 373 N -0.91 2.19 -0.43 0.29 0.08 -1.17 -1.59 117.98 116.45 3hag s PHE 373 Ca 0.12 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.83 3hag s PHE 373 Cb -0.10 -1.11 0.17 0.00 -0.57 0.00 0.00 43.02 41.41 3hag s PHE 373 CO 0.04 0.43 0.42 -0.80 -0.10 0.00 0.00 175.22 175.20 3hag s ASN 374 N -2.51 0.85 0.20 1.36 0.02 -0.37 -4.27 114.94 110.22 3hag s ASN 374 Ca 0.18 -2.62 0.04 0.00 -1.02 0.00 0.00 52.86 49.45 3hag s ASN 374 Cb -0.08 0.15 -0.03 0.00 0.02 0.00 0.00 41.25 41.31 3hag s ASN 374 CO 0.08 -0.16 0.30 -0.76 0.02 0.00 0.00 177.10 176.58 3hag s LEU 375 N 0.40 4.23 0.46 0.60 1.02 -1.26 -2.39 118.68 121.73 3hag s LEU 375 Ca 0.30 0.05 -0.20 0.00 0.02 0.00 0.00 54.13 54.30 3hag s LEU 375 Cb 0.00 -2.78 -0.10 0.00 0.02 0.00 0.00 46.19 43.33 3hag s LEU 375 CO -0.14 -0.01 0.99 0.00 0.02 0.00 0.00 176.35 177.21 3hag s ALA 376 N -1.90 2.96 0.47 4.21 0.00 -1.26 -4.61 121.76 121.63 3hag s ALA 376 Ca 0.34 0.48 0.34 0.00 0.00 0.00 0.00 51.96 53.12 3hag s ALA 376 Cb -0.10 -3.19 1.49 0.00 0.00 0.00 0.00 23.12 21.32 3hag s ALA 376 CO 0.28 -0.09 1.63 -0.44 0.00 0.00 0.00 175.76 177.14 3hag h ASP 377 N 1.70 0.19 0.52 0.00 3.32 -1.99 -2.47 116.42 117.68 3hag h ASP 377 Ca -0.49 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3hag h ASP 377 Cb 1.20 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3hag h ASP 377 CO 0.60 -0.13 -0.39 0.74 -1.72 0.00 0.00 179.24 178.34 3hag h THR 378 N 0.07 0.21 -0.07 0.35 2.02 -2.03 -2.73 112.91 110.73 3hag h THR 378 Ca 0.82 0.00 0.02 0.00 0.77 0.00 0.00 66.41 68.02 3hag h THR 378 Cb 2.76 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3hag h THR 378 CO -0.31 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.70 3hag h LEU 379 N -0.89 0.00 -0.42 2.58 -0.00 -1.83 -3.21 115.31 111.55 3hag h LEU 379 Ca -0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.91 3hag h LEU 379 Cb 0.75 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.31 3hag h LEU 379 CO 0.01 0.00 -0.30 -0.07 -0.00 0.00 0.00 178.44 178.08 3hag h LEU 380 N 0.00 -1.01 -1.35 1.67 3.38 -1.56 -0.82 115.31 115.61 3hag h LEU 380 Ca 0.04 0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.36 3hag h LEU 380 Cb 0.43 0.49 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3hag h LEU 380 CO -0.00 -0.30 0.58 1.23 0.09 0.00 0.00 178.44 180.04 3hag h GLY 381 N -0.22 1.12 1.88 0.83 0.00 -1.75 -1.00 103.07 103.94 3hag h GLY 381 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3hag h GLY 381 CO -0.55 0.04 0.00 0.61 0.00 0.00 0.00 176.54 176.64 3hag n GLY 382 N -1.46 -0.78 3.76 4.60 0.00 -0.32 -4.76 105.19 106.24 3hag n GLY 382 Ca 0.18 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3hag n GLY 382 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hag s LEU 383 N -2.88 4.55 0.81 0.99 1.43 -0.38 -5.03 118.68 118.18 3hag s LEU 383 Ca 0.06 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 3hag s LEU 383 Cb 0.07 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 43.00 3hag s LEU 383 CO 0.17 0.12 1.09 -2.84 0.23 0.00 0.00 176.35 175.12 3hag s PRO 384 N -0.72 1.91 0.11 1.29 0.02 -1.26 -4.73 135.00 131.62 3hag s PRO 384 Ca 0.39 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 62.20 3hag s PRO 384 Cb -0.23 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 3hag s PRO 384 CO 0.27 -1.87 1.57 1.15 -0.33 0.00 0.00 177.00 177.79 3hag h THR 385 N -1.29 0.07 -0.95 0.99 2.02 -1.97 -1.95 112.91 109.83 3hag h THR 385 Ca -0.45 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.91 3hag h THR 385 Cb 1.25 0.07 -0.18 0.00 -1.74 0.00 0.00 68.15 67.55 3hag h THR 385 CO 0.51 0.00 -0.25 -0.62 0.37 0.00 0.00 175.52 175.53 3hag n GLU 386 N -5.47 -0.10 -0.04 6.66 -0.58 -1.26 -0.99 120.64 118.85 3hag n GLU 386 Ca -0.07 1.47 -0.12 0.00 -0.42 0.00 0.00 57.16 58.02 3hag n GLU 386 Cb 0.39 -2.20 -0.06 0.00 -0.57 0.00 0.00 31.44 29.00 3hag n GLU 386 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hag h LEU 387 N 0.00 0.25 -1.33 -4.62 3.38 -1.82 -3.24 115.31 107.93 3hag h LEU 387 Ca 0.44 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hag h LEU 387 Cb 0.68 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hag h LEU 387 CO -0.97 0.51 -0.28 -0.29 0.09 0.00 0.00 178.44 177.50 3hag h ILE 388 N -0.03 0.85 -0.01 1.22 6.09 -0.42 -2.07 117.51 123.15 3hag h ILE 388 Ca 0.04 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 3hag h ILE 388 Cb 0.39 1.68 0.00 0.00 0.47 0.00 0.00 36.82 39.36 3hag h ILE 388 CO 0.01 0.28 -0.03 -1.20 -3.07 0.00 0.00 178.15 174.14 3hag n SER 389 N -3.69 0.53 0.16 2.19 7.64 -0.16 -3.30 113.62 116.99 3hag n SER 389 Ca -0.01 -1.00 -0.07 0.00 1.01 0.00 0.00 58.87 58.80 3hag n SER 389 Cb 0.39 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 3hag n SER 389 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hag h SER 390 N 0.79 -0.39 0.00 6.43 0.02 -1.41 -3.38 113.55 115.61 3hag h SER 390 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hag h SER 390 Cb 0.24 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hag h SER 390 CO 0.00 -0.11 -0.11 0.00 -1.14 0.00 0.00 176.83 175.47 3hag n ALA 391 N -2.48 0.79 0.00 3.77 0.00 -1.25 -3.94 120.51 117.40 3hag n ALA 391 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hag n ALA 391 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3hag n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hag n GLY 392 N 0.59 0.51 2.03 0.00 0.00 -1.21 -3.08 105.19 104.03 3hag n GLY 392 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hag n GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hag n GLY 393 N 0.00 0.46 0.07 -0.02 0.00 -1.14 -4.92 105.19 99.65 3hag n GLY 393 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3hag n GLY 393 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hag n GLN 394 N -2.90 3.34 -4.38 1.61 6.02 -1.26 -3.98 117.38 115.83 3hag n GLN 394 Ca -0.00 -0.30 -0.21 0.00 -0.01 0.00 0.00 57.00 56.48 3hag n GLN 394 Cb 0.02 -0.84 -0.16 0.00 1.02 0.00 0.00 30.24 30.29 3hag n GLN 394 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3hag s LEU 395 N -1.46 1.69 0.12 1.08 0.20 -1.26 -3.05 118.68 116.00 3hag s LEU 395 Ca 0.03 -0.19 -0.25 0.00 0.69 0.00 0.00 54.13 54.40 3hag s LEU 395 Cb 0.03 -0.57 0.07 0.00 -0.43 0.00 0.00 46.19 45.30 3hag s LEU 395 CO 0.11 0.04 0.84 -0.36 -0.29 0.00 0.00 176.35 176.69 3hag s PHE 396 N 0.37 -0.29 0.24 5.38 0.40 -0.74 -4.27 117.98 119.08 3hag s PHE 396 Ca -0.06 0.03 0.12 0.00 -0.60 0.00 0.00 56.93 56.42 3hag s PHE 396 Cb -0.10 0.60 -0.05 0.00 0.51 0.00 0.00 43.02 43.98 3hag s PHE 396 CO 0.01 -0.80 -0.22 0.71 0.70 0.00 0.00 175.22 175.62 3hag s TYR 397 N -3.41 2.30 0.18 0.36 1.51 -0.68 0.23 117.35 117.84 3hag s TYR 397 Ca 0.08 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.63 3hag s TYR 397 Cb -0.02 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3hag s TYR 397 CO -0.04 0.61 0.47 -1.54 -1.11 0.00 0.00 175.55 173.94 3hag s SER 398 N -3.11 -0.21 0.12 2.29 1.04 0.41 -0.98 113.70 113.26 3hag s SER 398 Ca 0.26 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.25 3hag s SER 398 Cb -0.06 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3hag s SER 398 CO 0.13 -0.99 -0.16 -0.13 0.98 0.00 0.00 173.24 173.07 3hag s ARG 399 N -3.87 1.06 0.29 4.02 0.52 -0.96 -1.19 118.95 118.81 3hag s ARG 399 Ca 0.09 -1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 3hag s ARG 399 Cb 0.00 -1.03 -0.10 0.00 0.52 0.00 0.00 34.95 34.34 3hag s ARG 399 CO -0.04 0.21 1.27 -1.25 0.02 0.00 0.00 175.30 175.51 3hag s PRO 400 N -2.49 4.41 0.10 3.54 0.04 -1.26 0.40 135.00 139.74 3hag s PRO 400 Ca 0.09 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.29 3hag s PRO 400 Cb -0.06 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3hag s PRO 400 CO 0.04 -0.13 -0.13 0.08 0.04 0.00 0.00 177.00 176.90 3hag s VAL 401 N -0.86 1.11 -0.45 -0.36 1.01 0.14 -0.70 120.40 120.28 3hag s VAL 401 Ca 0.50 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 3hag s VAL 401 Cb -0.38 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 34.73 3hag s VAL 401 CO 0.47 -0.41 0.54 -0.69 0.00 0.00 0.00 175.10 175.02 3hag s VAL 402 N -1.96 4.97 -0.03 2.92 1.01 -0.56 -4.15 120.40 122.61 3hag s VAL 402 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hag s VAL 402 Cb -0.06 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3hag s VAL 402 CO 0.02 -0.59 0.13 -0.55 0.00 0.00 0.00 175.10 174.11 3hag s SER 403 N 2.18 6.10 0.59 3.32 0.15 -1.26 -0.26 113.70 124.51 3hag s SER 403 Ca 0.15 0.30 0.35 0.00 0.70 0.00 0.00 55.95 57.45 3hag s SER 403 Cb -0.18 -1.87 1.29 0.00 -1.71 0.00 0.00 66.02 63.55 3hag s SER 403 CO 0.14 0.30 1.49 0.00 1.20 0.00 0.00 173.24 176.37 3hag h ALA 404 N 4.19 3.18 -0.36 5.45 0.00 -1.97 0.70 119.26 130.45 3hag h ALA 404 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hag h ALA 404 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hag h ALA 404 CO 0.64 -1.83 0.00 0.27 0.00 0.00 0.00 179.25 178.33 3hag n ASN 405 N -3.59 2.02 -3.91 0.00 0.23 -1.26 -4.93 115.26 103.82 3hag n ASN 405 Ca 0.28 -2.02 -0.36 0.00 -0.53 0.00 0.00 54.58 51.95 3hag n ASN 405 Cb 1.57 -0.26 0.02 0.00 -2.08 0.00 0.00 39.78 39.02 3hag n ASN 405 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hag n GLY 406 N 1.05 -1.03 3.21 4.83 0.00 0.24 -4.96 105.19 108.53 3hag n GLY 406 Ca 0.12 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 3hag n GLY 406 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hag s GLU 407 N -6.31 0.67 -0.37 1.61 2.02 -1.26 -5.06 118.70 110.00 3hag s GLU 407 Ca 0.31 -0.37 -0.39 0.00 0.02 0.00 0.00 54.97 54.55 3hag s GLU 407 Cb -0.16 0.29 -0.14 0.00 0.10 0.00 0.00 34.13 34.22 3hag s GLU 407 CO 0.93 -0.19 2.06 -2.30 0.02 0.00 0.00 175.26 175.78 3hag n PRO 408 N 1.05 0.82 -3.81 0.39 -0.02 -1.26 -4.55 135.00 127.61 3hag n PRO 408 Ca -0.21 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.40 3hag n PRO 408 Cb 0.57 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 3hag n PRO 408 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hag s THR 409 N 6.00 -0.00 0.16 3.45 2.01 -1.26 -0.92 115.64 125.08 3hag s THR 409 Ca 1.09 0.02 0.11 0.00 0.31 0.00 0.00 61.69 63.21 3hag s THR 409 Cb -1.08 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3hag s THR 409 CO 0.58 0.01 -0.22 0.68 -0.69 0.00 0.00 174.62 174.98 3hag s VAL 410 N 0.18 2.52 -0.13 3.82 -7.23 0.61 0.23 120.40 120.41 3hag s VAL 410 Ca -0.01 -1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 58.22 3hag s VAL 410 Cb -0.02 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 3hag s VAL 410 CO -0.00 -0.02 0.29 -0.75 -0.31 0.00 0.00 175.10 174.31 3hag s LYS 411 N -2.42 4.08 0.09 4.82 2.20 0.16 -0.66 119.74 128.01 3hag s LYS 411 Ca 0.19 0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 55.66 3hag s LYS 411 Cb -0.09 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 3hag s LYS 411 CO 0.09 0.40 0.80 -1.17 -0.36 0.00 0.00 175.35 175.11 3hag s LEU 412 N -0.03 4.50 0.03 5.43 2.96 -0.83 -2.28 118.68 128.47 3hag s LEU 412 Ca 0.18 1.56 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3hag s LEU 412 Cb -0.13 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 3hag s LEU 412 CO 0.06 0.06 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.73 3hag s TYR 413 N -0.38 0.91 -0.16 5.38 1.51 -0.15 -2.72 117.35 121.74 3hag s TYR 413 Ca 0.39 -0.36 0.15 0.00 -1.01 0.00 0.00 57.07 56.25 3hag s TYR 413 Cb -0.22 -0.55 0.04 0.00 -0.11 0.00 0.00 41.96 41.13 3hag s TYR 413 CO 0.25 -0.01 1.35 0.00 -1.11 0.00 0.00 175.55 176.03 3hag h THR 414 N 4.58 0.78 -3.48 -0.71 1.03 -1.85 -1.81 112.91 111.45 3hag h THR 414 Ca -0.36 -2.14 -0.13 0.00 -0.01 0.00 0.00 66.41 63.77 3hag h THR 414 Cb 1.19 2.35 -0.19 0.00 -1.07 0.00 0.00 68.15 70.42 3hag h THR 414 CO 0.44 0.44 -0.43 -0.55 -0.01 0.00 0.00 175.52 175.41 3hag s SER 415 N -6.34 0.01 0.51 0.00 0.15 -1.26 -4.69 113.70 102.08 3hag s SER 415 Ca 0.03 -0.25 0.22 0.00 0.70 0.00 0.00 55.95 56.65 3hag s SER 415 Cb 0.08 0.25 1.31 0.00 -1.71 0.00 0.00 66.02 65.95 3hag s SER 415 CO 0.75 -0.45 2.01 0.58 1.20 0.00 0.00 173.24 177.33 3hag h VAL 416 N 3.90 0.79 0.38 4.45 2.07 -1.92 0.56 116.25 126.48 3hag h VAL 416 Ca -0.31 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hag h VAL 416 Cb 1.19 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3hag h VAL 416 CO 0.44 0.01 -0.18 -0.08 0.02 0.00 0.00 177.57 177.78 3hag h GLU 417 N 0.08 -0.50 -0.56 1.57 4.57 -1.97 -2.69 114.58 115.09 3hag h GLU 417 Ca 0.23 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.55 3hag h GLU 417 Cb 0.82 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 3hag h GLU 417 CO -0.02 -0.18 0.38 -0.91 -1.18 0.00 0.00 179.01 177.09 3hag h ASN 418 N -0.86 0.30 -0.80 1.04 2.35 -1.55 0.13 115.58 116.19 3hag h ASN 418 Ca -0.05 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3hag h ASN 418 Cb 0.54 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 3hag h ASN 418 CO 0.09 0.18 0.43 0.00 -1.65 0.00 0.00 177.43 176.48 3hag h ALA 419 N 1.72 1.03 -0.20 -0.83 0.00 -0.82 0.29 119.26 120.45 3hag h ALA 419 Ca 0.26 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3hag h ALA 419 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hag h ALA 419 CO -0.06 0.54 -0.41 1.96 0.00 0.00 0.00 179.25 181.28 3hag h GLN 420 N 1.11 0.46 -0.00 0.00 4.20 -0.45 -2.79 115.11 117.65 3hag h GLN 420 Ca 0.28 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hag h GLN 420 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3hag h GLN 420 CO -0.04 0.80 -0.23 1.04 -0.67 0.00 0.00 178.83 179.73 3hag n GLN 421 N -4.02 0.50 -3.50 1.46 1.13 -0.53 -4.95 117.38 107.48 3hag n GLN 421 Ca -0.02 -0.23 -0.19 0.00 -1.94 0.00 0.00 57.00 54.62 3hag n GLN 421 Cb 0.51 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.45 3hag n GLN 421 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3hag n ASP 422 N -1.05 -3.33 -4.18 1.08 2.03 0.94 -4.96 116.55 107.08 3hag n ASP 422 Ca 0.11 -0.61 -0.40 0.00 0.52 0.00 0.00 54.79 54.41 3hag n ASP 422 Cb 0.32 -5.05 -0.07 0.00 -0.72 0.00 0.00 41.12 35.60 3hag n ASP 422 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hag s LYS 423 N -5.68 2.93 1.29 -0.67 1.02 -0.65 -5.04 119.74 112.93 3hag s LYS 423 Ca 0.18 -2.48 -0.20 0.00 0.02 0.00 0.00 55.97 53.49 3hag s LYS 423 Cb -0.08 -3.98 0.32 0.00 -0.52 0.00 0.00 37.83 33.56 3hag s LYS 423 CO 0.73 -1.22 1.03 0.20 -0.92 0.00 0.00 175.35 175.17 3hag s GLY 424 N 1.27 1.51 -0.09 -3.33 0.00 -1.26 -4.73 107.32 100.68 3hag s GLY 424 Ca 0.17 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 3hag s GLY 424 CO -0.05 0.11 0.68 -0.42 0.00 0.00 0.00 173.10 173.42 3hag s ILE 425 N -2.65 5.04 -0.38 0.90 1.01 -1.10 -4.93 121.20 119.09 3hag s ILE 425 Ca 0.70 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 62.45 3hag s ILE 425 Cb -0.13 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.34 3hag s ILE 425 CO 0.58 0.22 1.19 0.00 0.00 0.00 0.00 174.94 176.93 3hag s ALA 426 N 1.03 3.30 0.05 9.38 0.00 -1.26 -1.38 121.76 132.87 3hag s ALA 426 Ca 0.36 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.24 3hag s ALA 426 Cb -0.17 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 3hag s ALA 426 CO 0.16 -1.91 -0.21 -1.50 0.00 0.00 0.00 175.76 172.30 3hag s ILE 427 N 4.31 2.57 -0.04 0.00 2.07 -0.75 -4.97 121.20 124.39 3hag s ILE 427 Ca 0.51 -1.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.49 3hag s ILE 427 Cb -0.12 -2.06 -0.25 0.00 0.13 0.00 0.00 42.46 40.15 3hag s ILE 427 CO 0.25 0.34 0.67 1.55 -1.91 0.00 0.00 174.94 175.84 3hag h PRO 428 N 4.59 0.16 -4.11 3.50 0.13 -1.95 -3.44 132.00 130.88 3hag h PRO 428 Ca -0.47 -0.27 -0.21 0.00 -0.87 0.00 0.00 66.00 64.17 3hag h PRO 428 Cb 1.15 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 3hag h PRO 428 CO 0.46 0.93 -0.27 -3.38 -0.23 0.00 0.00 178.00 175.51 3hag s HIS 429 N -2.60 0.90 0.43 1.56 -3.43 -1.26 -5.07 115.29 105.81 3hag s HIS 429 Ca -0.11 -1.15 -0.26 0.00 -0.80 0.00 0.00 55.06 52.74 3hag s HIS 429 Cb 0.07 -0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 31.01 3hag s HIS 429 CO 0.82 -0.98 1.38 -0.25 -2.00 0.00 0.00 174.74 173.70 3hag n ASP 430 N -0.87 3.08 -4.22 7.38 9.92 -1.26 -4.69 116.55 125.89 3hag n ASP 430 Ca 0.01 1.13 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 3hag n ASP 430 Cb 0.63 -1.56 -0.16 0.00 -0.64 0.00 0.00 41.12 39.38 3hag n ASP 430 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hag s ILE 431 N -1.18 1.75 -0.25 0.53 -1.09 -0.66 -4.95 121.20 115.34 3hag s ILE 431 Ca 0.60 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 3hag s ILE 431 Cb -0.48 -1.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3hag s ILE 431 CO 0.59 0.49 0.07 -0.62 -1.23 0.00 0.00 174.94 174.24 3hag s ASP 432 N -0.25 5.11 0.00 3.58 -1.08 -1.26 0.31 116.67 123.09 3hag s ASP 432 Ca 0.01 -0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.01 3hag s ASP 432 Cb -0.11 -1.92 0.33 0.00 -1.46 0.00 0.00 42.92 39.77 3hag s ASP 432 CO 0.01 -0.05 1.29 0.18 0.52 0.00 0.00 175.17 177.12 3hag n LEU 433 N 4.92 1.00 -0.22 -1.34 4.77 0.67 -4.93 117.00 121.86 3hag n LEU 433 Ca -0.16 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3hag n LEU 433 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hag n LEU 433 CO 0.31 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hag n GLY 434 N 1.44 0.00 2.75 -0.72 0.00 -0.82 -3.52 105.19 104.32 3hag n GLY 434 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3hag n GLY 434 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hag n GLU 435 N 1.12 -3.46 -2.43 1.61 -0.58 -1.23 -4.74 120.64 110.94 3hag n GLU 435 Ca 0.00 0.94 -0.32 0.00 -0.42 0.00 0.00 57.16 57.36 3hag n GLU 435 Cb 0.00 -5.71 -0.04 0.00 -0.57 0.00 0.00 31.44 25.12 3hag n GLU 435 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hag s SER 436 N -2.41 6.63 -0.19 1.62 1.04 -0.87 -4.81 113.70 114.70 3hag s SER 436 Ca 0.17 1.56 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 3hag s SER 436 Cb -0.08 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 3hag s SER 436 CO 0.21 -0.57 0.04 -0.60 0.98 0.00 0.00 173.24 173.30 3hag s ARG 437 N -4.03 3.82 -0.04 4.02 3.52 -1.01 -2.59 118.95 122.65 3hag s ARG 437 Ca 0.59 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.83 3hag s ARG 437 Cb -0.10 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 3hag s ARG 437 CO 0.31 0.15 -0.21 0.08 -0.81 0.00 0.00 175.30 174.81 3hag s VAL 438 N 0.69 2.47 -0.01 7.11 1.01 -1.11 -1.24 120.40 129.31 3hag s VAL 438 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3hag s VAL 438 Cb -0.14 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3hag s VAL 438 CO 0.02 0.58 -0.09 0.54 0.00 0.00 0.00 175.10 176.15 3hag s VAL 439 N -0.60 0.70 -0.20 2.92 0.11 -0.62 -0.32 120.40 122.39 3hag s VAL 439 Ca 0.09 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3hag s VAL 439 Cb -0.11 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3hag s VAL 439 CO 0.00 0.20 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.19 3hag s ILE 440 N -0.11 2.02 0.13 7.04 -1.09 0.12 -1.25 121.20 128.06 3hag s ILE 440 Ca 0.02 -1.14 0.08 0.00 -2.23 0.00 0.00 60.65 57.39 3hag s ILE 440 Cb -0.04 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3hag s ILE 440 CO -0.00 0.33 -0.20 0.00 -1.23 0.00 0.00 174.94 173.84 3hag s GLN 441 N 1.26 1.19 0.20 2.79 -2.07 -0.75 -0.79 119.66 121.50 3hag s GLN 441 Ca 0.00 -1.27 -0.30 0.00 -1.82 0.00 0.00 55.36 51.97 3hag s GLN 441 Cb -0.15 -1.38 -0.09 0.00 -1.09 0.00 0.00 33.01 30.29 3hag s GLN 441 CO -0.10 0.31 1.34 -0.51 -1.32 0.00 0.00 175.29 175.00 3hag s ASP 442 N -2.22 6.85 -0.12 12.60 1.01 -0.24 -1.40 116.67 133.15 3hag s ASP 442 Ca 0.10 2.44 -0.02 0.00 0.71 0.00 0.00 52.55 55.78 3hag s ASP 442 Cb -0.08 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 3hag s ASP 442 CO 0.05 -0.57 -0.13 0.00 0.21 0.00 0.00 175.17 174.73 3hag n TYR 443 N 2.68 0.00 -3.37 4.23 9.36 0.42 -4.66 117.16 125.82 3hag n TYR 443 Ca 0.07 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.09 3hag n TYR 443 Cb 0.42 -0.46 -0.08 0.00 -0.63 0.00 0.00 39.34 38.59 3hag n TYR 443 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3hag s ASP 444 N -5.62 1.50 -0.03 2.98 2.15 -0.90 -4.88 116.67 111.87 3hag s ASP 444 Ca -0.17 -1.85 -0.30 0.00 0.43 0.00 0.00 52.55 50.66 3hag s ASP 444 Cb 0.05 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 3hag s ASP 444 CO 0.25 -0.25 1.30 0.21 -0.17 0.00 0.00 175.17 176.51 3hag s ASN 445 N 1.21 6.95 -0.22 -0.34 3.84 -1.26 -2.83 114.94 122.29 3hag s ASN 445 Ca 0.19 1.96 0.15 0.00 0.21 0.00 0.00 52.86 55.37 3hag s ASN 445 Cb -0.15 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.45 3hag s ASN 445 CO -0.03 -0.66 1.17 0.00 -2.79 0.00 0.00 177.10 174.80 3hag n GLN 446 N 5.33 2.09 -1.83 0.43 1.13 -1.26 -4.90 117.38 118.38 3hag n GLN 446 Ca 0.12 -3.46 -0.34 0.00 -1.94 0.00 0.00 57.00 51.38 3hag n GLN 446 Cb 0.45 -1.59 0.05 0.00 0.11 0.00 0.00 30.24 29.25 3hag n GLN 446 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3hag s HIS 447 N -2.99 2.44 0.08 1.08 5.65 -1.26 -1.23 115.29 119.06 3hag s HIS 447 Ca 0.39 1.55 -0.34 0.00 0.25 0.00 0.00 55.06 56.92 3hag s HIS 447 Cb 0.37 -3.33 -0.18 0.00 -1.18 0.00 0.00 32.58 28.27 3hag s HIS 447 CO -0.04 -2.00 1.60 0.93 -0.65 0.00 0.00 174.74 174.59 3hag h GLU 448 N 0.35 -0.94 0.00 2.88 5.08 -1.74 -3.20 114.58 117.01 3hag h GLU 448 Ca -0.48 0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 3hag h GLU 448 Cb 1.27 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3hag h GLU 448 CO 0.54 -0.63 -0.44 1.96 -1.00 0.00 0.00 179.01 179.44 3hag h GLN 449 N -0.98 0.00 0.00 2.33 1.08 -1.93 -3.34 115.11 112.28 3hag h GLN 449 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3hag h GLN 449 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3hag h GLN 449 CO 0.09 0.44 0.00 -0.25 -0.95 0.00 0.00 178.83 178.16 3hag n ASP 450 N -3.85 0.00 -4.03 1.46 8.00 -1.21 -4.47 116.55 112.45 3hag n ASP 450 Ca -0.01 0.34 -0.34 0.00 0.71 0.00 0.00 54.79 55.49 3hag n ASP 450 Cb 0.49 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 3hag n ASP 450 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hag s ARG 451 N -2.89 2.55 0.60 -1.24 1.81 -1.24 -4.43 118.95 114.11 3hag s ARG 451 Ca 0.16 -2.82 -0.13 0.00 -1.72 0.00 0.00 55.73 51.23 3hag s ARG 451 Cb 0.18 -3.63 -0.05 0.00 -0.45 0.00 0.00 34.95 31.00 3hag s ARG 451 CO 0.47 -1.19 1.02 -2.14 -0.68 0.00 0.00 175.30 172.78 3hag s PRO 452 N -0.57 3.61 0.19 3.54 0.02 -1.26 -5.02 135.00 135.50 3hag s PRO 452 Ca 0.20 0.86 -0.30 0.00 0.02 0.00 0.00 61.00 61.78 3hag s PRO 452 Cb -0.17 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3hag s PRO 452 CO -0.06 -0.56 1.32 0.99 -0.33 0.00 0.00 177.00 178.36 3hag s THR 453 N -2.96 3.21 0.13 0.99 2.01 -1.26 -4.91 115.64 112.85 3hag s THR 453 Ca 0.57 0.99 -0.33 0.00 0.31 0.00 0.00 61.69 63.23 3hag s THR 453 Cb -0.11 -3.63 -0.18 0.00 0.01 0.00 0.00 72.50 68.59 3hag s THR 453 CO 0.47 0.14 0.80 -2.65 -0.69 0.00 0.00 174.62 172.69 3hag n PRO 454 N 2.75 0.15 -0.26 4.92 -0.02 -1.26 -4.82 135.00 136.46 3hag n PRO 454 Ca 0.07 0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 3hag n PRO 454 Cb 0.43 -1.30 0.11 0.00 -0.02 0.00 0.00 33.50 32.72 3hag n PRO 454 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hag h SER 455 N 2.00 -0.56 -0.72 2.55 0.02 -1.91 -2.02 113.55 112.90 3hag h SER 455 Ca -0.38 0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3hag h SER 455 Cb 1.42 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 64.34 3hag h SER 455 CO 0.61 -0.22 0.46 -0.65 -1.14 0.00 0.00 176.83 175.89 3hag h PRO 456 N 0.03 0.87 -6.29 3.45 0.11 -1.91 -3.45 132.00 124.82 3hag h PRO 456 Ca 0.38 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.81 3hag h PRO 456 Cb 0.62 -0.20 0.11 0.00 0.11 0.00 0.00 31.00 31.65 3hag h PRO 456 CO -0.73 0.57 -0.17 0.00 -0.21 0.00 0.00 178.00 177.47 3hag n ALA 457 N -2.32 -1.32 -1.79 -0.75 0.00 -0.76 -4.85 120.51 108.71 3hag n ALA 457 Ca 0.08 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 3hag n ALA 457 Cb 0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3hag n ALA 457 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hag s PRO 458 N -1.36 4.15 0.44 0.00 0.04 -1.26 -4.94 135.00 132.07 3hag s PRO 458 Ca 0.61 2.53 -0.25 0.00 0.04 0.00 0.00 61.00 63.92 3hag s PRO 458 Cb -0.77 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 30.60 3hag s PRO 458 CO 0.58 -0.67 1.40 -1.54 0.04 0.00 0.00 177.00 176.81 3hag s SER 459 N 0.95 5.97 -0.07 6.66 1.04 -1.26 -4.86 113.70 122.13 3hag s SER 459 Ca 0.70 2.86 -0.36 0.00 0.48 0.00 0.00 55.95 59.62 3hag s SER 459 Cb -0.47 -2.65 -0.14 0.00 0.10 0.00 0.00 66.02 62.85 3hag s SER 459 CO 0.36 -1.11 1.69 -1.14 0.98 0.00 0.00 173.24 174.02 3hag n ARG 460 N -0.13 1.66 -2.09 4.02 0.63 -1.26 -4.86 116.66 114.63 3hag n ARG 460 Ca 0.05 0.61 -0.34 0.00 -0.92 0.00 0.00 57.85 57.24 3hag n ARG 460 Cb 0.42 -2.35 0.02 0.00 0.45 0.00 0.00 32.46 31.00 3hag n ARG 460 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hag s PRO 461 N 2.70 3.16 0.20 -0.14 0.04 -1.26 -4.89 135.00 134.81 3hag s PRO 461 Ca 0.91 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 3hag s PRO 461 Cb -0.86 -1.98 0.14 0.00 0.04 0.00 0.00 34.50 31.84 3hag s PRO 461 CO 0.53 -0.99 1.56 0.35 0.04 0.00 0.00 177.00 178.48 3hag h PHE 462 N 0.80 0.80 -0.30 0.56 3.57 -1.89 -2.52 116.94 117.97 3hag h PHE 462 Ca -0.49 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 60.86 3hag h PHE 462 Cb 1.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3hag h PHE 462 CO 0.52 0.96 0.41 0.77 -2.23 0.00 0.00 178.31 178.74 3hag h SER 463 N 0.55 0.00 -3.64 0.41 0.02 -1.92 -3.39 113.55 105.58 3hag h SER 463 Ca 0.05 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.38 3hag h SER 463 Cb 0.93 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.33 3hag h SER 463 CO 0.08 0.00 -0.10 0.54 -1.14 0.00 0.00 176.83 176.21 3hag s VAL 464 N -4.49 5.11 -0.01 2.27 0.11 -0.95 -0.74 120.40 121.70 3hag s VAL 464 Ca -0.04 0.76 0.04 0.00 -2.93 0.00 0.00 61.98 59.82 3hag s VAL 464 Cb 0.14 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 3hag s VAL 464 CO 0.48 0.11 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.47 3hag s LEU 465 N 2.22 2.03 0.29 2.54 1.43 -0.28 -4.77 118.68 122.14 3hag s LEU 465 Ca 0.19 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 3hag s LEU 465 Cb -0.16 -0.67 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 3hag s LEU 465 CO 0.09 0.16 -0.09 -0.13 0.23 0.00 0.00 176.35 176.61 3hag s ARG 466 N -0.35 1.61 0.16 1.70 0.52 -1.26 0.83 118.95 122.16 3hag s ARG 466 Ca 0.05 -1.80 -0.34 0.00 -0.52 0.00 0.00 55.73 53.12 3hag s ARG 466 Cb -0.05 -1.36 -0.14 0.00 0.52 0.00 0.00 34.95 33.91 3hag s ARG 466 CO -0.00 0.11 1.48 0.00 0.02 0.00 0.00 175.30 176.91 3hag n ALA 467 N -0.62 0.78 -2.88 2.13 0.00 -1.26 -2.42 120.51 116.24 3hag n ALA 467 Ca -0.06 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.75 3hag n ALA 467 Cb 0.63 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.84 3hag n ALA 467 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hag n ASN 468 N 2.93 -3.50 -4.77 0.00 2.85 -0.96 -5.03 115.26 106.78 3hag n ASN 468 Ca 0.16 -0.22 -0.34 0.00 -0.11 0.00 0.00 54.58 54.07 3hag n ASN 468 Cb 0.27 -2.32 -0.08 0.00 1.24 0.00 0.00 39.78 38.90 3hag n ASN 468 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3hag s ASP 469 N -3.19 5.68 -0.19 1.20 -0.00 -1.02 -4.94 116.67 114.22 3hag s ASP 469 Ca 0.20 0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.92 3hag s ASP 469 Cb -0.09 -1.67 -0.02 0.00 -0.00 0.00 0.00 42.92 41.14 3hag s ASP 469 CO 0.29 0.33 -0.02 -0.69 -0.00 0.00 0.00 175.17 175.09 3hag s VAL 470 N -1.06 3.87 0.31 -1.27 1.01 -1.26 -0.56 120.40 121.44 3hag s VAL 470 Ca 0.18 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3hag s VAL 470 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3hag s VAL 470 CO 0.08 0.45 0.18 -0.76 0.00 0.00 0.00 175.10 175.05 3hag s LEU 471 N 0.86 3.48 -0.01 3.92 1.43 -0.34 -1.96 118.68 126.05 3hag s LEU 471 Ca 0.00 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3hag s LEU 471 Cb -0.14 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3hag s LEU 471 CO 0.02 -0.21 -0.02 0.86 0.23 0.00 0.00 176.35 177.23 3hag s TRP 472 N -2.31 0.25 -0.11 0.29 -0.11 -1.09 -2.26 118.94 113.61 3hag s TRP 472 Ca 0.37 -0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.65 3hag s TRP 472 Cb -0.05 -0.21 0.02 0.00 -1.50 0.00 0.00 33.47 31.73 3hag s TRP 472 CO 0.24 -0.03 -0.10 -0.51 -4.62 0.00 0.00 176.95 171.93 3hag s LEU 473 N 0.19 1.34 -0.41 5.86 1.02 0.55 -1.60 118.68 125.64 3hag s LEU 473 Ca -0.02 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.65 3hag s LEU 473 Cb -0.04 -0.91 0.03 0.00 0.02 0.00 0.00 46.19 45.29 3hag s LEU 473 CO -0.01 -0.09 0.29 -0.44 0.02 0.00 0.00 176.35 176.13 3hag s SER 474 N 1.53 6.04 -0.38 2.29 0.01 -0.43 -1.69 113.70 121.08 3hag s SER 474 Ca 0.03 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.17 3hag s SER 474 Cb -0.13 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3hag s SER 474 CO -0.07 -0.46 0.34 -0.76 0.41 0.00 0.00 173.24 172.70 3hag s LEU 475 N 1.65 4.76 0.05 2.44 1.43 0.43 -1.39 118.68 128.05 3hag s LEU 475 Ca 0.04 -0.57 0.17 0.00 -1.03 0.00 0.00 54.13 52.74 3hag s LEU 475 Cb -0.20 -2.26 -0.14 0.00 0.03 0.00 0.00 46.19 43.63 3hag s LEU 475 CO 0.09 -0.41 0.80 0.41 0.23 0.00 0.00 176.35 177.48 3hag n THR 476 N 5.24 1.18 -3.65 5.49 -1.04 -0.02 -2.03 114.28 119.45 3hag n THR 476 Ca -0.10 -0.69 -0.28 0.00 -2.04 0.00 0.00 64.05 60.94 3hag n THR 476 Cb 0.48 -0.73 -0.11 0.00 -1.82 0.00 0.00 70.33 68.15 3hag n THR 476 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hag s ALA 477 N -2.92 2.60 0.68 2.41 0.00 -1.25 -4.44 121.76 118.83 3hag s ALA 477 Ca -0.03 -3.12 -0.11 0.00 0.00 0.00 0.00 51.96 48.70 3hag s ALA 477 Cb 0.09 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 3hag s ALA 477 CO 0.81 -2.04 1.05 0.00 0.00 0.00 0.00 175.76 175.59 3hag s ALA 478 N -0.64 2.78 -0.25 0.00 0.00 -1.26 -3.59 121.76 118.80 3hag s ALA 478 Ca 0.28 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 3hag s ALA 478 Cb -0.02 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3hag s ALA 478 CO -0.17 -1.09 0.69 -1.21 0.00 0.00 0.00 175.76 173.98 3hag s GLU 479 N -5.08 0.82 -0.46 0.00 2.02 -0.88 -4.89 118.70 110.22 3hag s GLU 479 Ca 0.57 0.93 -0.17 0.00 0.02 0.00 0.00 54.97 56.32 3hag s GLU 479 Cb -0.13 0.40 0.05 0.00 0.10 0.00 0.00 34.13 34.54 3hag s GLU 479 CO 0.55 -0.11 0.48 -0.47 0.02 0.00 0.00 175.26 175.73 3hag s TYR 480 N 0.30 3.16 0.19 1.61 5.04 -1.26 -1.00 117.35 125.39 3hag s TYR 480 Ca -0.00 -0.60 0.05 0.00 -2.44 0.00 0.00 57.07 54.07 3hag s TYR 480 Cb -0.05 -3.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 3hag s TYR 480 CO 0.01 -0.83 0.21 0.34 -1.34 0.00 0.00 175.55 173.94 3hag s ASP 481 N 2.32 5.79 0.40 4.32 -1.08 -1.16 -5.00 116.67 122.26 3hag s ASP 481 Ca 0.10 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 52.14 3hag s ASP 481 Cb -0.20 -1.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 3hag s ASP 481 CO 0.11 0.02 0.54 -1.10 0.52 0.00 0.00 175.17 175.26 3hag s GLN 482 N -3.41 2.90 0.00 4.34 -0.21 -1.26 -2.58 119.66 119.44 3hag s GLN 482 Ca 0.32 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.52 3hag s GLN 482 Cb -0.10 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.15 3hag s GLN 482 CO 0.25 -0.18 0.00 2.41 -2.12 0.00 0.00 175.29 175.66 3hag n THR 489 N -1.79 0.00 -4.01 -0.19 -1.04 -1.26 -4.40 114.28 101.60 3hag n THR 489 Ca 0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 3hag n THR 489 Cb 0.59 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.95 3hag n THR 489 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3hag s ASN 490 N 0.00 4.40 -0.20 8.00 3.04 -1.26 -5.04 114.94 123.88 3hag s ASN 490 Ca 0.00 -1.18 -0.20 0.00 0.04 0.00 0.00 52.86 51.51 3hag s ASN 490 Cb 0.00 -1.61 -0.03 0.00 -1.54 0.00 0.00 41.25 38.08 3hag s ASN 490 CO 0.00 -0.18 0.60 -2.84 -3.04 0.00 0.00 177.10 171.65 3hag s PRO 491 N 1.20 4.20 -0.11 0.43 0.02 -1.24 -5.04 135.00 134.46 3hag s PRO 491 Ca -0.05 0.56 0.03 0.00 0.02 0.00 0.00 61.00 61.57 3hag s PRO 491 Cb -0.19 -3.58 0.01 0.00 0.02 0.00 0.00 34.50 30.76 3hag s PRO 491 CO -0.05 -0.23 -0.22 -1.64 -0.33 0.00 0.00 177.00 174.54 3hag s MET 492 N 1.87 2.91 -0.22 5.54 -1.94 -1.07 -2.02 119.30 124.37 3hag s MET 492 Ca 0.27 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 53.14 3hag s MET 492 Cb -0.16 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.42 3hag s MET 492 CO 0.10 0.08 1.03 0.71 -0.01 0.00 0.00 175.02 176.94 3hag s TYR 493 N 0.58 3.35 0.07 -0.03 1.51 0.12 -2.99 117.35 119.97 3hag s TYR 493 Ca -0.13 1.48 0.03 0.00 -1.01 0.00 0.00 57.07 57.43 3hag s TYR 493 Cb -0.17 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.38 3hag s TYR 493 CO 0.04 -0.46 0.08 0.08 -1.11 0.00 0.00 175.55 174.18 3hag s VAL 494 N 3.09 4.56 0.04 0.71 1.01 -0.17 -0.20 120.40 129.44 3hag s VAL 494 Ca 0.44 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3hag s VAL 494 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3hag s VAL 494 CO 0.07 0.14 -0.22 -0.55 0.00 0.00 0.00 175.10 174.54 3hag s SER 495 N -2.34 2.62 -0.15 3.32 0.15 0.18 -2.08 113.70 115.40 3hag s SER 495 Ca 0.29 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 3hag s SER 495 Cb -0.12 -0.22 -0.24 0.00 -1.71 0.00 0.00 66.02 63.73 3hag s SER 495 CO 0.22 0.18 0.40 -2.24 1.20 0.00 0.00 173.24 173.00 3hag h ASP 496 N 4.88 0.22 -3.63 5.45 2.03 -1.85 -2.08 116.42 121.43 3hag h ASP 496 Ca -0.43 -0.75 -0.69 0.00 -0.73 0.00 0.00 57.03 54.43 3hag h ASP 496 Cb 1.16 -0.07 -0.33 0.00 -0.83 0.00 0.00 39.33 39.26 3hag h ASP 496 CO 0.44 1.59 -0.62 -0.89 -1.03 0.00 0.00 179.24 178.73 3hag s THR 497 N -2.44 3.28 0.04 1.15 2.01 -1.26 -4.35 115.64 114.08 3hag s THR 497 Ca -0.24 -1.61 0.02 0.00 0.31 0.00 0.00 61.69 60.17 3hag s THR 497 Cb 0.05 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 3hag s THR 497 CO 0.70 -0.36 -0.07 0.54 -0.69 0.00 0.00 174.62 174.73 3hag s VAL 498 N 1.24 0.46 -0.07 3.82 0.11 -1.26 -0.84 120.40 123.86 3hag s VAL 498 Ca 0.01 -1.06 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 3hag s VAL 498 Cb -0.21 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3hag s VAL 498 CO -0.02 -0.41 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.24 3hag s THR 499 N -1.42 1.78 0.02 5.04 2.01 -0.49 -1.15 115.64 121.44 3hag s THR 499 Ca -0.11 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 3hag s THR 499 Cb -0.10 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 3hag s THR 499 CO 0.00 0.50 0.14 -0.36 -0.69 0.00 0.00 174.62 174.21 3hag s PHE 500 N 0.15 3.40 -0.19 4.92 0.40 -0.78 -1.32 117.98 124.56 3hag s PHE 500 Ca -0.10 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.43 3hag s PHE 500 Cb -0.15 -1.75 0.09 0.00 0.51 0.00 0.00 43.02 41.73 3hag s PHE 500 CO 0.05 0.58 0.25 0.08 0.70 0.00 0.00 175.22 176.88 3hag s VAL 501 N -1.34 -0.38 -0.06 -0.44 1.01 -0.63 -2.24 120.40 116.33 3hag s VAL 501 Ca 0.28 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3hag s VAL 501 Cb -0.12 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 3hag s VAL 501 CO 0.20 -0.12 1.74 0.21 0.00 0.00 0.00 175.10 177.13 3hag s ASN 502 N 2.37 6.53 0.04 3.32 3.84 0.15 -2.65 114.94 128.54 3hag s ASN 502 Ca 0.06 2.24 -0.24 0.00 0.21 0.00 0.00 52.86 55.13 3hag s ASN 502 Cb -0.15 -2.53 -0.17 0.00 -0.55 0.00 0.00 41.25 37.85 3hag s ASN 502 CO -0.12 -1.04 1.53 0.58 -2.79 0.00 0.00 177.10 175.26 3hag h VAL 503 N 5.73 1.18 -0.45 -5.21 2.07 -1.71 0.83 116.25 118.69 3hag h VAL 503 Ca -0.41 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3hag h VAL 503 Cb 1.19 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3hag h VAL 503 CO 0.96 0.14 0.03 0.00 0.02 0.00 0.00 177.57 178.72 3hag h ALA 504 N 0.78 1.21 0.00 1.67 0.00 -1.91 -3.34 119.26 117.67 3hag h ALA 504 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hag h ALA 504 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hag h ALA 504 CO 0.00 0.52 -0.19 1.15 0.00 0.00 0.00 179.25 180.74 3hag h THR 505 N 0.68 0.00 0.00 0.00 2.02 -1.93 -3.49 112.91 110.20 3hag h THR 505 Ca 0.14 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3hag h THR 505 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3hag h THR 505 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 3hag n GLY 506 N 1.75 1.20 3.73 2.16 0.00 0.29 -5.04 105.19 109.28 3hag n GLY 506 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3hag n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hag s ALA 507 N -2.00 3.86 0.25 4.61 0.00 -1.24 -4.67 121.76 122.57 3hag s ALA 507 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.55 3hag s ALA 507 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3hag s ALA 507 CO 0.00 -0.94 0.19 1.14 0.00 0.00 0.00 175.76 176.15 3hag s GLN 508 N 0.57 1.42 -0.26 0.00 -2.07 -1.26 0.29 119.66 118.34 3hag s GLN 508 Ca 0.70 -1.78 -0.26 0.00 -1.82 0.00 0.00 55.36 52.20 3hag s GLN 508 Cb -0.49 0.29 0.14 0.00 -1.09 0.00 0.00 33.01 31.87 3hag s GLN 508 CO 0.38 -0.49 1.14 0.20 -1.32 0.00 0.00 175.29 175.20 3hag s GLY 509 N -3.24 -0.04 -0.23 2.60 0.00 -0.95 -4.80 107.32 100.66 3hag s GLY 509 Ca 0.40 2.75 -0.23 0.00 0.00 0.00 0.00 44.72 47.63 3hag s GLY 509 CO 0.18 1.63 0.77 0.14 0.00 0.00 0.00 173.10 175.82 3hag s VAL 510 N -0.20 4.89 0.46 1.40 1.01 -1.26 -1.86 120.40 124.84 3hag s VAL 510 Ca 0.04 1.46 0.21 0.00 0.00 0.00 0.00 61.98 63.68 3hag s VAL 510 Cb -0.04 -4.07 0.39 0.00 0.00 0.00 0.00 36.38 32.67 3hag s VAL 510 CO -0.07 -0.02 1.91 0.28 0.00 0.00 0.00 175.10 177.20 3hag h SER 511 N 7.64 0.26 -0.34 3.32 0.02 -1.49 -0.90 113.55 122.06 3hag h SER 511 Ca -0.26 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 3hag h SER 511 Cb 1.11 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3hag h SER 511 CO 0.84 0.12 0.05 -0.09 -1.14 0.00 0.00 176.83 176.61 3hag h ARG 512 N 0.26 0.56 0.00 3.45 1.12 -1.76 -3.36 114.38 114.66 3hag h ARG 512 Ca 0.39 -0.15 -0.23 0.00 -1.11 0.00 0.00 59.98 58.87 3hag h ARG 512 Cb 1.12 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.98 3hag h ARG 512 CO -0.10 0.65 -1.24 1.03 -3.11 0.00 0.00 179.97 177.20 3hag h SER 513 N 0.39 0.00 -4.35 -3.80 0.87 -1.58 -3.42 113.55 101.66 3hag h SER 513 Ca 0.10 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.16 3hag h SER 513 Cb 0.36 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.41 3hag h SER 513 CO 0.01 0.96 0.38 -0.22 -0.53 0.00 0.00 176.83 177.43 3hag s LEU 514 N -6.45 3.00 -0.31 2.23 0.20 -0.81 -5.05 118.68 111.49 3hag s LEU 514 Ca -0.01 1.44 0.01 0.00 0.69 0.00 0.00 54.13 56.26 3hag s LEU 514 Cb 0.09 -4.29 0.07 0.00 -0.43 0.00 0.00 46.19 41.64 3hag s LEU 514 CO 0.82 -1.42 0.01 1.51 -0.29 0.00 0.00 176.35 176.98 3hag s ASP 515 N -3.98 4.79 0.35 3.68 -4.77 -1.26 -4.96 116.67 110.52 3hag s ASP 515 Ca 0.58 -1.64 0.26 0.00 -3.30 0.00 0.00 52.55 48.45 3hag s ASP 515 Cb -0.13 -1.66 0.77 0.00 -1.09 0.00 0.00 42.92 40.80 3hag s ASP 515 CO 0.54 -0.31 1.74 -0.50 0.70 0.00 0.00 175.17 177.34 3hag h TRP 516 N 7.85 0.00 -0.71 2.11 4.06 -1.96 -3.11 115.95 124.19 3hag h TRP 516 Ca -0.15 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.92 3hag h TRP 516 Cb 1.04 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.16 3hag h TRP 516 CO 0.58 0.00 0.47 0.77 -3.56 0.00 0.00 178.44 176.70 3hag h SER 517 N 0.00 0.44 -0.41 -3.49 0.02 -1.99 0.90 113.55 109.01 3hag h SER 517 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hag h SER 517 Cb 0.74 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3hag h SER 517 CO 0.00 0.25 0.00 0.29 -1.14 0.00 0.00 176.83 176.23 3hag n LYS 518 N -4.48 2.32 -2.96 3.45 5.02 -1.17 -4.85 118.16 115.48 3hag n LYS 518 Ca 0.13 -2.00 -0.40 0.00 -2.02 0.00 0.00 58.31 54.01 3hag n LYS 518 Cb 0.44 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 3hag n LYS 518 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hag s VAL 519 N -1.47 4.68 0.13 -0.18 1.01 0.31 -4.90 120.40 119.98 3hag s VAL 519 Ca 0.38 1.68 0.10 0.00 0.00 0.00 0.00 61.98 64.14 3hag s VAL 519 Cb 0.21 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3hag s VAL 519 CO 0.29 0.37 -0.25 0.42 0.00 0.00 0.00 175.10 175.93 3hag s THR 520 N -0.14 2.14 -0.23 3.92 -4.23 0.08 -2.55 115.64 114.63 3hag s THR 520 Ca 0.39 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3hag s THR 520 Cb -0.21 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.78 3hag s THR 520 CO 0.24 0.03 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.11 3hag s LEU 521 N -2.09 2.28 -1.27 4.79 1.98 0.38 -1.13 118.68 123.62 3hag s LEU 521 Ca 0.13 -1.15 -0.04 0.00 -2.89 0.00 0.00 54.13 50.18 3hag s LEU 521 Cb -0.10 -1.03 0.00 0.00 0.66 0.00 0.00 46.19 45.72 3hag s LEU 521 CO 0.06 -0.27 0.56 0.47 -1.89 0.00 0.00 176.35 175.28 3hag n ASP 522 N 4.76 -5.38 0.00 3.68 8.00 0.24 -3.02 116.55 124.83 3hag n ASP 522 Ca -0.10 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3hag n ASP 522 Cb 0.45 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 3hag n ASP 522 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hag n GLY 523 N -1.43 2.26 3.82 0.44 0.00 -1.26 -5.02 105.19 103.99 3hag n GLY 523 Ca -0.08 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3hag n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hag s ARG 524 N 0.00 3.83 0.64 1.61 0.52 -1.17 -4.88 118.95 119.50 3hag s ARG 524 Ca 0.00 1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 56.19 3hag s ARG 524 Cb 0.00 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 3hag s ARG 524 CO 0.00 -0.38 1.10 -1.25 0.02 0.00 0.00 175.30 174.79 3hag s PRO 525 N -3.70 2.96 0.37 3.54 0.04 -1.26 -0.47 135.00 136.49 3hag s PRO 525 Ca 0.62 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 3hag s PRO 525 Cb -0.13 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 3hag s PRO 525 CO 0.26 -1.12 1.25 1.28 0.04 0.00 0.00 177.00 178.72 3hag n LEU 526 N -2.27 3.59 -4.77 -3.56 4.77 -1.05 -4.73 117.00 108.98 3hag n LEU 526 Ca 0.10 1.16 -0.40 0.00 -0.03 0.00 0.00 56.01 56.84 3hag n LEU 526 Cb 0.52 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 3hag n LEU 526 CO 0.47 -0.64 1.00 -0.89 -1.33 0.00 0.00 177.39 176.00 3hag s THR 527 N -1.14 2.60 -0.17 -5.08 2.01 -1.26 -4.84 115.64 107.75 3hag s THR 527 Ca 0.58 0.59 -0.10 0.00 0.31 0.00 0.00 61.69 63.06 3hag s THR 527 Cb -0.55 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3hag s THR 527 CO 0.60 0.13 0.17 0.42 -0.69 0.00 0.00 174.62 175.25 3hag s THR 528 N -1.17 5.40 -0.03 -0.82 -4.23 -1.26 -1.06 115.64 112.47 3hag s THR 528 Ca 0.51 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 3hag s THR 528 Cb -0.40 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 3hag s THR 528 CO 0.53 0.47 -0.19 -0.51 -0.54 0.00 0.00 174.62 174.38 3hag s ILE 529 N 0.08 1.57 -0.32 2.99 2.07 -0.47 -4.97 121.20 122.15 3hag s ILE 529 Ca 0.11 -0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 58.43 3hag s ILE 529 Cb -0.12 -1.33 -0.01 0.00 0.13 0.00 0.00 42.46 41.13 3hag s ILE 529 CO 0.01 0.45 0.18 -1.10 -1.91 0.00 0.00 174.94 172.56 3hag s GLN 530 N -0.22 3.38 -0.12 3.50 -0.21 -1.26 -0.84 119.66 123.89 3hag s GLN 530 Ca 0.01 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 3hag s GLN 530 Cb -0.10 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 3hag s GLN 530 CO 0.01 -0.42 0.17 -0.65 -2.12 0.00 0.00 175.29 172.28 3hag s GLN 531 N 1.64 3.62 0.31 2.91 -1.52 -0.45 -4.99 119.66 121.18 3hag s GLN 531 Ca 0.05 -0.08 0.04 0.00 -1.95 0.00 0.00 55.36 53.41 3hag s GLN 531 Cb -0.17 -3.23 0.81 0.00 -0.22 0.00 0.00 33.01 30.19 3hag s GLN 531 CO 0.07 0.68 1.58 1.88 -0.25 0.00 0.00 175.29 179.25 3hag h TYR 532 N 5.25 0.05 -0.22 0.91 -1.99 -2.05 0.97 116.97 119.90 3hag h TYR 532 Ca -0.52 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.28 3hag h TYR 532 Cb 1.22 0.14 0.00 0.00 2.00 0.00 0.00 36.73 40.09 3hag h TYR 532 CO 0.72 -0.43 0.00 0.43 -0.00 0.00 0.00 178.16 178.88 3hag n SER 533 N -5.46 2.73 -4.20 3.88 7.64 -1.26 -4.97 113.62 111.98 3hag n SER 533 Ca 0.25 -1.80 -0.31 0.00 1.01 0.00 0.00 58.87 58.01 3hag n SER 533 Cb 0.81 -0.14 -0.17 0.00 -1.01 0.00 0.00 64.21 63.70 3hag n SER 533 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hag s LYS 534 N -1.16 2.94 -0.15 1.43 1.02 0.34 -5.12 119.74 119.04 3hag s LYS 534 Ca 0.24 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 3hag s LYS 534 Cb 0.15 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 3hag s LYS 534 CO 0.20 0.15 0.26 0.99 -0.92 0.00 0.00 175.35 176.03 3hag s THR 535 N 0.40 5.33 0.20 2.17 2.01 -1.26 -1.35 115.64 123.14 3hag s THR 535 Ca -0.18 0.47 0.07 0.00 0.31 0.00 0.00 61.69 62.36 3hag s THR 535 Cb -0.18 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3hag s THR 535 CO 0.08 0.43 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.96 3hag s PHE 536 N 0.21 1.63 -0.09 4.92 2.99 -0.02 -3.71 117.98 123.91 3hag s PHE 536 Ca 0.15 -0.64 -0.13 0.00 0.00 0.00 0.00 56.93 56.31 3hag s PHE 536 Cb -0.13 -0.80 -0.05 0.00 0.00 0.00 0.00 43.02 42.04 3hag s PHE 536 CO 0.03 0.27 0.31 -0.06 -0.00 0.00 0.00 175.22 175.77 3hag s PHE 537 N -3.08 3.59 -0.12 0.36 0.40 -0.88 -1.37 117.98 116.89 3hag s PHE 537 Ca 0.22 0.74 -0.14 0.00 -0.60 0.00 0.00 56.93 57.15 3hag s PHE 537 Cb 0.01 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 3hag s PHE 537 CO 0.06 0.49 0.33 0.08 0.70 0.00 0.00 175.22 176.89 3hag s VAL 538 N -0.41 5.25 -0.40 -0.44 1.01 -0.22 -2.47 120.40 122.71 3hag s VAL 538 Ca 0.19 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.85 3hag s VAL 538 Cb -0.14 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.69 3hag s VAL 538 CO 0.08 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 174.99 3hag s LEU 539 N 0.08 4.08 0.16 3.92 2.01 -0.96 -4.30 118.68 123.66 3hag s LEU 539 Ca 0.19 -2.42 -0.31 0.00 0.01 0.00 0.00 54.13 51.61 3hag s LEU 539 Cb -0.14 -1.47 -0.09 0.00 0.01 0.00 0.00 46.19 44.50 3hag s LEU 539 CO 0.07 -0.32 1.44 -2.16 1.01 0.00 0.00 176.35 176.38 3hag s PRO 540 N 0.55 4.29 0.42 1.29 0.04 -1.26 -2.22 135.00 138.11 3hag s PRO 540 Ca 0.13 2.18 0.07 0.00 0.04 0.00 0.00 61.00 63.42 3hag s PRO 540 Cb -0.22 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 3hag s PRO 540 CO -0.07 -0.46 0.14 -0.51 0.04 0.00 0.00 177.00 176.14 3hag s LEU 541 N 0.78 3.00 -0.25 -3.56 2.01 -1.13 0.18 118.68 119.72 3hag s LEU 541 Ca 0.64 -1.18 0.01 0.00 0.01 0.00 0.00 54.13 53.61 3hag s LEU 541 Cb -0.39 -1.26 0.04 0.00 0.01 0.00 0.00 46.19 44.59 3hag s LEU 541 CO 0.33 -0.56 -0.10 -0.13 1.01 0.00 0.00 176.35 176.90 3hag s ARG 542 N -3.87 2.55 0.63 1.70 0.52 0.49 -4.34 118.95 116.62 3hag s ARG 542 Ca 0.38 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3hag s ARG 542 Cb 0.05 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3hag s ARG 542 CO 0.20 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.47 3hag n GLY 543 N 4.55 -1.37 3.91 -3.53 0.00 -1.26 -4.53 105.19 102.96 3hag n GLY 543 Ca -0.16 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 3hag n GLY 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hag s LYS 544 N 0.00 3.27 -0.52 1.61 -0.14 -1.26 -1.64 119.74 121.06 3hag s LYS 544 Ca 0.00 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 53.57 3hag s LYS 544 Cb 0.00 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 3hag s LYS 544 CO 0.00 0.47 1.24 -1.17 -0.76 0.00 0.00 175.35 175.13 3hag s LEU 545 N -3.50 3.53 -0.37 3.17 1.98 -1.26 -4.91 118.68 117.32 3hag s LEU 545 Ca 0.33 0.37 -0.26 0.00 -2.89 0.00 0.00 54.13 51.69 3hag s LEU 545 Cb -0.10 -3.35 0.01 0.00 0.66 0.00 0.00 46.19 43.42 3hag s LEU 545 CO 0.27 -1.43 0.91 -0.44 -1.89 0.00 0.00 176.35 173.77 3hag s SER 546 N 3.13 6.66 0.33 3.68 0.01 -1.15 -4.92 113.70 121.44 3hag s SER 546 Ca 0.49 0.54 0.03 0.00 1.31 0.00 0.00 55.95 58.32 3hag s SER 546 Cb -0.09 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3hag s SER 546 CO 0.29 -0.85 0.14 0.72 0.41 0.00 0.00 173.24 173.95 3hag s PHE 547 N 3.44 1.70 0.18 2.43 -0.12 -1.26 -0.92 117.98 123.43 3hag s PHE 547 Ca 0.37 -1.29 -0.24 0.00 -0.05 0.00 0.00 56.93 55.73 3hag s PHE 547 Cb -0.12 -1.00 0.07 0.00 -0.63 0.00 0.00 43.02 41.34 3hag s PHE 547 CO 0.19 -0.38 0.98 1.67 -0.05 0.00 0.00 175.22 177.62 3hag s TRP 548 N -3.46 -0.05 0.54 3.49 -2.14 -0.68 -2.94 118.94 113.70 3hag s TRP 548 Ca 0.33 -0.30 -0.21 0.00 2.66 0.00 0.00 56.10 58.57 3hag s TRP 548 Cb 0.05 0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 31.04 3hag s TRP 548 CO 0.16 -0.90 1.28 -2.00 -2.66 0.00 0.00 176.95 172.83 3hag s GLU 549 N -2.89 3.20 0.55 3.25 2.12 -0.92 -2.08 118.70 121.93 3hag s GLU 549 Ca 0.15 2.03 0.37 0.00 0.36 0.00 0.00 54.97 57.88 3hag s GLU 549 Cb -0.02 -2.19 1.55 0.00 0.26 0.00 0.00 34.13 33.73 3hag s GLU 549 CO 0.04 -1.08 1.77 0.00 -0.54 0.00 0.00 175.26 175.45 3hag h ALA 550 N 1.40 3.14 0.00 6.30 0.00 -1.69 -2.89 119.26 125.51 3hag h ALA 550 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hag h ALA 550 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hag h ALA 550 CO 0.57 -1.52 0.00 0.41 0.00 0.00 0.00 179.25 178.71 3hag n GLY 551 N -1.77 0.19 3.60 0.00 0.00 -1.26 -4.83 105.19 101.12 3hag n GLY 551 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 3hag n GLY 551 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hag s THR 552 N -0.02 1.30 -0.85 2.61 -4.23 -1.09 -5.02 115.64 108.34 3hag s THR 552 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3hag s THR 552 Cb 0.00 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3hag s THR 552 CO 0.00 0.00 0.58 0.35 -0.54 0.00 0.00 174.62 175.01 3hag n THR 553 N -0.98 0.16 -2.24 3.99 -2.24 -1.26 -3.96 114.28 107.75 3hag n THR 553 Ca -0.09 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3hag n THR 553 Cb 0.67 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3hag n THR 553 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hag s LYS 554 N -0.86 3.26 0.88 -0.78 1.02 -1.26 -4.97 119.74 117.03 3hag s LYS 554 Ca 0.00 0.79 -0.11 0.00 0.02 0.00 0.00 55.97 56.67 3hag s LYS 554 Cb 0.00 -4.16 0.12 0.00 -0.52 0.00 0.00 37.83 33.27 3hag s LYS 554 CO 0.00 -1.97 1.09 0.00 -0.92 0.00 0.00 175.35 173.55 3hag s ALA 555 N 6.59 1.61 0.41 5.17 0.00 -1.26 -2.16 121.76 132.12 3hag s ALA 555 Ca 0.63 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.62 3hag s ALA 555 Cb -0.14 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3hag s ALA 555 CO 0.28 -2.30 0.12 0.20 0.00 0.00 0.00 175.76 174.06 3hag s GLY 556 N -3.42 2.41 0.07 0.00 0.00 -1.15 -4.84 107.32 100.40 3hag s GLY 556 Ca 0.63 -2.14 0.09 0.00 0.00 0.00 0.00 44.72 43.30 3hag s GLY 556 CO 0.57 -1.98 -0.23 -0.19 0.00 0.00 0.00 173.10 171.26 3hag s TYR 557 N -2.64 2.04 0.20 1.90 1.51 -1.26 -4.92 117.35 114.18 3hag s TYR 557 Ca 0.38 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3hag s TYR 557 Cb 0.06 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 3hag s TYR 557 CO 0.21 0.18 0.33 -1.25 -1.11 0.00 0.00 175.55 173.91 3hag s PRO 558 N -1.53 3.44 0.03 -1.71 0.04 -1.26 -3.43 135.00 130.58 3hag s PRO 558 Ca 0.10 -0.67 -0.17 0.00 0.04 0.00 0.00 61.00 60.30 3hag s PRO 558 Cb -0.10 -2.92 -0.29 0.00 0.04 0.00 0.00 34.50 31.24 3hag s PRO 558 CO 0.03 0.46 1.06 -0.92 0.04 0.00 0.00 177.00 177.67 3hag h TYR 559 N 1.60 0.88 -2.57 0.56 5.03 -1.76 -3.23 116.97 117.48 3hag h TYR 559 Ca -0.50 -0.56 -0.81 0.00 2.58 0.00 0.00 58.73 59.44 3hag h TYR 559 Cb 1.21 -0.07 -0.27 0.00 1.55 0.00 0.00 36.73 39.16 3hag h TYR 559 CO 0.49 1.41 0.96 0.09 -1.32 0.00 0.00 178.16 179.79 3hag n ASN 560 N -3.91 6.79 -0.30 -2.11 3.02 -1.26 -4.76 115.26 112.72 3hag n ASN 560 Ca -0.13 -3.50 0.04 0.00 -0.03 0.00 0.00 54.58 50.95 3hag n ASN 560 Cb 0.92 -1.24 0.18 0.00 -0.61 0.00 0.00 39.78 39.02 3hag n ASN 560 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3hag h TYR 561 N 4.96 0.88 -0.13 3.10 -0.00 -1.99 -2.32 116.97 121.46 3hag h TYR 561 Ca 0.35 0.03 -0.05 0.00 0.00 0.00 0.00 58.73 59.05 3hag h TYR 561 Cb 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 36.96 3hag h TYR 561 CO 1.16 0.35 -0.12 -0.97 -0.00 0.00 0.00 178.16 178.58 3hag h ASN 562 N 0.80 0.34 -1.66 0.10 -1.24 -1.91 -3.46 115.58 108.55 3hag h ASN 562 Ca 0.41 -0.47 -0.68 0.00 0.71 0.00 0.00 56.30 56.27 3hag h ASN 562 Cb 0.39 -0.10 0.07 0.00 0.73 0.00 0.00 38.32 39.41 3hag h ASN 562 CO -0.26 0.74 0.27 0.41 -1.29 0.00 0.00 177.43 177.30 3hag n THR 563 N -4.60 0.48 0.35 -3.57 -1.04 -0.88 -4.84 114.28 100.19 3hag n THR 563 Ca -0.06 -0.12 0.13 0.00 -2.04 0.00 0.00 64.05 61.96 3hag n THR 563 Cb 0.34 -0.67 0.56 0.00 -1.82 0.00 0.00 70.33 68.75 3hag n THR 563 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3hag h THR 564 N 2.88 0.00 -4.03 12.58 1.35 -1.89 -3.45 112.91 120.34 3hag h THR 564 Ca -0.45 -0.24 -0.54 0.00 -0.55 0.00 0.00 66.41 64.62 3hag h THR 564 Cb 1.36 1.00 0.12 0.00 -1.73 0.00 0.00 68.15 68.90 3hag h THR 564 CO 0.72 0.00 0.59 0.00 -0.25 0.00 0.00 175.52 176.57 3hag s ALA 565 N -3.44 2.89 0.44 6.62 0.00 -1.26 -4.96 121.76 122.06 3hag s ALA 565 Ca 0.03 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 3hag s ALA 565 Cb 0.09 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3hag s ALA 565 CO 0.39 -1.19 0.98 -1.54 0.00 0.00 0.00 175.76 174.41 3hag s SER 566 N -1.01 6.75 1.06 0.00 1.04 -1.26 -4.84 113.70 115.43 3hag s SER 566 Ca 0.69 1.79 -0.12 0.00 0.48 0.00 0.00 55.95 58.79 3hag s SER 566 Cb -0.38 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.36 3hag s SER 566 CO 0.45 -0.50 0.85 -0.67 0.98 0.00 0.00 173.24 174.35 3hag n ASP 567 N -0.68 -0.54 -3.62 7.02 -0.08 -0.65 -4.90 116.55 113.11 3hag n ASP 567 Ca 0.07 -1.20 -0.11 0.00 -1.51 0.00 0.00 54.79 52.05 3hag n ASP 567 Cb 0.53 -0.69 -0.07 0.00 2.34 0.00 0.00 41.12 43.24 3hag n ASP 567 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hag s GLN 568 N -4.87 0.62 -0.27 -0.67 -2.07 -1.26 -2.83 119.66 108.30 3hag s GLN 568 Ca 0.50 0.56 -0.10 0.00 -1.82 0.00 0.00 55.36 54.49 3hag s GLN 568 Cb -0.02 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 3hag s GLN 568 CO 0.36 -0.11 0.16 0.42 -1.32 0.00 0.00 175.29 174.81 3hag s ILE 569 N -0.10 5.10 0.38 3.63 1.01 -0.94 -4.73 121.20 125.55 3hag s ILE 569 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 3hag s ILE 569 Cb -0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3hag s ILE 569 CO -0.02 0.27 0.63 -0.76 0.00 0.00 0.00 174.94 175.06 3hag s LEU 570 N 1.71 3.89 0.00 2.97 2.01 -1.12 -2.26 118.68 125.89 3hag s LEU 570 Ca 0.07 0.66 -0.02 0.00 0.01 0.00 0.00 54.13 54.85 3hag s LEU 570 Cb -0.16 -3.55 -0.01 0.00 0.01 0.00 0.00 46.19 42.49 3hag s LEU 570 CO 0.09 -0.38 0.03 -0.63 1.01 0.00 0.00 176.35 176.47 3hag s ILE 571 N -2.43 0.06 -0.02 -0.59 1.01 -1.03 -2.32 121.20 115.89 3hag s ILE 571 Ca 0.43 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 3hag s ILE 571 Cb -0.10 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 3hag s ILE 571 CO 0.38 -0.29 0.36 -0.70 0.00 0.00 0.00 174.94 174.69 3hag s GLU 572 N -0.89 3.82 -0.71 2.79 2.56 0.56 -2.06 118.70 124.77 3hag s GLU 572 Ca -0.10 0.30 0.04 0.00 0.00 0.00 0.00 54.97 55.21 3hag s GLU 572 Cb -0.06 -3.20 0.29 0.00 2.00 0.00 0.00 34.13 33.16 3hag s GLU 572 CO -0.00 0.70 1.00 -1.71 -0.56 0.00 0.00 175.26 174.69 3hag n ASN 573 N 1.78 4.65 -3.87 -1.70 5.15 -1.24 -3.74 115.26 116.29 3hag n ASN 573 Ca -0.15 -3.54 -0.28 0.00 -0.60 0.00 0.00 54.58 50.01 3hag n ASN 573 Cb 0.53 -0.75 -0.16 0.00 -0.53 0.00 0.00 39.78 38.86 3hag n ASN 573 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3hag s HIS 577 N -3.00 1.62 0.25 1.20 0.09 -1.26 -5.08 115.29 109.10 3hag s HIS 577 Ca 0.42 -1.04 0.08 0.00 -0.00 0.00 0.00 55.06 54.52 3hag s HIS 577 Cb 0.18 -1.27 -0.04 0.00 -0.00 0.00 0.00 32.58 31.45 3hag s HIS 577 CO -0.05 -0.61 0.07 1.03 -0.00 0.00 0.00 174.74 175.18 3hag s ARG 578 N 1.66 2.53 0.22 1.40 0.52 -1.25 -4.48 118.95 119.55 3hag s ARG 578 Ca 0.01 -1.26 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 3hag s ARG 578 Cb -0.15 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 3hag s ARG 578 CO -0.08 0.39 -0.05 0.08 0.02 0.00 0.00 175.30 175.66 3hag s VAL 579 N -2.20 1.25 -0.28 3.52 1.01 -0.78 0.21 120.40 123.12 3hag s VAL 579 Ca 0.31 -2.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 3hag s VAL 579 Cb -0.07 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.21 3hag s VAL 579 CO 0.22 -0.45 0.84 0.00 0.00 0.00 0.00 175.10 175.71 3hag s ILE 581 N 1.28 3.37 -0.04 0.00 -4.36 0.72 -2.79 121.20 119.38 3hag s ILE 581 Ca -0.07 -1.68 -0.13 0.00 -0.26 0.00 0.00 60.65 58.50 3hag s ILE 581 Cb -0.04 -2.71 -0.05 0.00 1.25 0.00 0.00 42.46 40.90 3hag s ILE 581 CO -0.15 -0.18 0.35 -0.55 0.24 0.00 0.00 174.94 174.65 3hag s SER 582 N -3.09 6.69 0.04 4.36 0.15 -1.26 0.12 113.70 120.71 3hag s SER 582 Ca 0.27 0.82 0.03 0.00 0.70 0.00 0.00 55.95 57.77 3hag s SER 582 Cb -0.08 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 3hag s SER 582 CO 0.17 0.31 -0.09 0.42 1.20 0.00 0.00 173.24 175.25 3hag s THR 583 N -0.85 0.65 -0.07 6.45 -4.23 -0.86 -3.98 115.64 112.76 3hag s THR 583 Ca 0.21 -1.04 0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3hag s THR 583 Cb -0.15 -0.68 -0.23 0.00 1.34 0.00 0.00 72.50 72.77 3hag s THR 583 CO 0.11 -0.30 0.55 0.00 -0.54 0.00 0.00 174.62 174.44 3hag n TYR 584 N 1.58 0.85 -4.12 3.99 9.36 -1.22 -3.62 117.16 123.97 3hag n TYR 584 Ca -0.21 0.30 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 3hag n TYR 584 Cb 0.55 -1.15 -0.07 0.00 -0.63 0.00 0.00 39.34 38.04 3hag n TYR 584 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3hag s THR 585 N -2.58 0.00 -0.92 2.97 -1.32 -1.26 -4.98 115.64 107.54 3hag s THR 585 Ca -0.07 -1.71 -0.07 0.00 -1.21 0.00 0.00 61.69 58.64 3hag s THR 585 Cb 0.08 -2.45 -0.09 0.00 -1.51 0.00 0.00 72.50 68.52 3hag s THR 585 CO 0.82 0.00 2.46 0.41 -2.21 0.00 0.00 174.62 176.10 3hag n THR 586 N -0.42 2.88 0.14 5.08 -1.04 -1.26 -4.73 114.28 114.92 3hag n THR 586 Ca 0.01 -1.67 0.17 0.00 -2.04 0.00 0.00 64.05 60.51 3hag n THR 586 Cb 0.63 -2.21 0.74 0.00 -1.82 0.00 0.00 70.33 67.67 3hag n THR 586 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3hag h ASN 587 N 5.48 0.00 0.00 8.00 2.35 -1.96 -3.53 115.58 125.92 3hag h ASN 587 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 3hag h ASN 587 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3hag h ASN 587 CO 1.31 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 176.98 3hag n LEU 588 N -4.16 0.00 0.00 1.61 7.94 -1.26 -5.01 117.00 116.11 3hag n LEU 588 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 3hag n LEU 588 Cb 0.39 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 3hag n LEU 588 CO 0.32 0.00 0.00 -1.54 -1.11 0.00 0.00 177.39 175.06 3hag n SER 594 N 0.00 0.00 -4.26 1.96 3.41 -1.26 -5.07 113.62 108.40 3hag n SER 594 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3hag n SER 594 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3hag n SER 594 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hag s ILE 595 N 0.00 1.68 -0.05 -1.33 1.01 -0.86 -1.83 121.20 119.82 3hag s ILE 595 Ca 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 3hag s ILE 595 Cb 0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3hag s ILE 595 CO 0.00 0.13 -0.00 -0.44 0.00 0.00 0.00 174.94 174.63 3hag s SER 596 N -1.37 5.15 -0.18 3.58 0.01 -0.88 -0.42 113.70 119.58 3hag s SER 596 Ca 0.07 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 3hag s SER 596 Cb -0.09 -1.39 0.05 0.00 0.21 0.00 0.00 66.02 64.79 3hag s SER 596 CO 0.02 0.33 0.47 0.00 0.41 0.00 0.00 173.24 174.48 3hag s ALA 597 N -0.97 -1.17 0.29 1.44 0.00 -0.68 -1.68 121.76 118.98 3hag s ALA 597 Ca 0.16 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.58 3hag s ALA 597 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3hag s ALA 597 CO 0.06 -0.23 0.10 0.54 0.00 0.00 0.00 175.76 176.23 3hag s VAL 598 N 0.36 3.59 0.00 0.00 0.11 -0.10 -0.33 120.40 124.03 3hag s VAL 598 Ca -0.01 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.35 3hag s VAL 598 Cb -0.04 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 3hag s VAL 598 CO -0.01 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.07 3hag n GLY 599 N -1.06 0.74 3.73 6.54 0.00 -0.96 -2.95 105.19 111.23 3hag n GLY 599 Ca -0.06 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 3hag n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hag s VAL 600 N 0.00 4.92 0.30 1.61 1.01 -1.26 -1.20 120.40 125.77 3hag s VAL 600 Ca 0.00 1.51 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 3hag s VAL 600 Cb 0.00 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3hag s VAL 600 CO 0.00 0.30 0.86 -0.76 0.00 0.00 0.00 175.10 175.50 3hag s LEU 601 N 0.41 4.30 0.33 3.92 1.43 0.28 -0.38 118.68 128.97 3hag s LEU 601 Ca 0.38 1.66 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3hag s LEU 601 Cb -0.19 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3hag s LEU 601 CO 0.20 -0.06 0.41 0.00 0.23 0.00 0.00 176.35 177.13 3hag s ALA 602 N -1.64 4.11 1.02 4.21 0.00 0.13 -2.26 121.76 127.33 3hag s ALA 602 Ca 0.49 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 3hag s ALA 602 Cb -0.17 -1.52 0.13 0.00 0.00 0.00 0.00 23.12 21.56 3hag s ALA 602 CO 0.22 -0.01 0.63 -0.35 0.00 0.00 0.00 175.76 176.25 3hag n PRO 603 N -1.55 -1.05 -2.69 0.00 -0.04 -1.26 -4.72 135.00 123.68 3hag n PRO 603 Ca -0.01 -0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 62.76 3hag n PRO 603 Cb 0.59 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3hag n PRO 603 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hag s HIS 604 N -2.43 2.77 0.00 0.54 2.46 -1.26 -4.87 115.29 112.50 3hag s HIS 604 Ca 0.62 0.40 0.00 0.00 0.47 0.00 0.00 55.06 56.55 3hag s HIS 604 Cb -0.20 -4.28 0.00 0.00 -0.13 0.00 0.00 32.58 27.97 3hag s HIS 604 CO 0.64 -1.34 0.00 0.43 -2.47 0.00 0.00 174.74 172.00