#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tw5 s THR 132 N 0.00 4.45 0.49 -5.08 -4.23 -1.26 -4.83 115.64 105.18 1tw5 s THR 132 Ca 0.00 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.12 1tw5 s THR 132 Cb 0.00 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 1tw5 s THR 132 CO 0.00 -0.26 1.28 0.00 -0.54 0.00 0.00 174.62 175.10 1tw5 n ALA 133 N -1.41 1.35 -1.76 3.99 0.00 -1.26 -1.06 120.51 120.36 1tw5 n ALA 133 Ca -0.05 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 1tw5 n ALA 133 Cb 0.58 -2.30 0.02 0.00 0.00 0.00 0.00 19.45 17.75 1tw5 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tw5 s PRO 135 N -2.84 -0.38 0.40 0.00 0.04 -1.26 -4.90 135.00 126.05 1tw5 s PRO 135 Ca 0.68 1.12 0.19 0.00 0.04 0.00 0.00 61.00 63.03 1tw5 s PRO 135 Cb -0.34 -1.60 0.81 0.00 0.04 0.00 0.00 34.50 33.42 1tw5 s PRO 135 CO 0.40 -3.45 1.81 1.49 0.04 0.00 0.00 177.00 177.30 1tw5 h GLU 136 N -2.44 0.00 -3.98 4.56 4.81 -2.03 -3.39 114.58 112.11 1tw5 h GLU 136 Ca -0.56 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.09 1tw5 h GLU 136 Cb 1.31 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.30 1tw5 h GLU 136 CO 0.47 0.34 -0.77 -1.21 -0.73 0.00 0.00 179.01 177.11 1tw5 s GLU 137 N -3.85 1.13 0.12 1.92 0.41 -1.26 -5.10 118.70 112.08 1tw5 s GLU 137 Ca -0.01 -0.95 -0.35 0.00 -0.41 0.00 0.00 54.97 53.24 1tw5 s GLU 137 Cb 0.12 -2.37 -0.16 0.00 -1.78 0.00 0.00 34.13 29.94 1tw5 s GLU 137 CO 0.68 -0.74 1.33 0.45 -0.49 0.00 0.00 175.26 176.49 1tw5 n SER 138 N 4.77 1.81 0.00 -0.19 2.88 -1.26 -4.84 113.62 116.80 1tw5 n SER 138 Ca -0.07 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.73 1tw5 n SER 138 Cb 0.44 -1.24 0.83 0.00 -0.75 0.00 0.00 64.21 63.49 1tw5 n SER 138 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tw5 n PRO 139 N 2.44 0.83 0.12 -1.46 -0.04 -1.26 -3.19 135.00 132.43 1tw5 n PRO 139 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1tw5 n PRO 139 Cb 0.22 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1tw5 n PRO 139 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1tw5 h LEU 140 N 0.00 0.00 -9.38 1.53 3.38 -1.88 -3.48 115.31 105.48 1tw5 h LEU 140 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1tw5 h LEU 140 Cb 0.03 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.89 1tw5 h LEU 140 CO 0.00 0.04 -0.02 0.18 0.09 0.00 0.00 178.44 178.72 1tw5 n LEU 141 N -2.75 1.15 0.00 1.67 4.32 -1.19 -4.92 117.00 115.27 1tw5 n LEU 141 Ca 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.14 1tw5 n LEU 141 Cb 0.56 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1tw5 n LEU 141 CO 0.39 -1.78 -0.16 1.33 -1.22 0.00 0.00 177.39 175.96 1tw5 n VAL 142 N 0.11 0.00 -0.44 4.08 0.24 -1.26 -5.12 118.33 115.93 1tw5 n VAL 142 Ca 0.11 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1tw5 n VAL 142 Cb 0.31 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1tw5 n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tw5 n GLY 143 N 1.47 0.73 3.77 7.63 0.00 -1.26 -4.96 105.19 112.57 1tw5 n GLY 143 Ca 0.00 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1tw5 n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tw5 s PRO 144 N 0.00 4.21 0.07 1.61 0.04 -1.26 -2.32 135.00 137.35 1tw5 s PRO 144 Ca 0.00 2.42 0.05 0.00 0.04 0.00 0.00 61.00 63.51 1tw5 s PRO 144 Cb 0.00 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1tw5 s PRO 144 CO 0.00 -0.41 -0.14 -1.64 0.04 0.00 0.00 177.00 174.85 1tw5 s MET 145 N -1.68 0.84 -0.10 4.56 -1.94 0.13 -4.96 119.30 116.15 1tw5 s MET 145 Ca 0.53 -0.94 -0.23 0.00 -1.71 0.00 0.00 55.69 53.34 1tw5 s MET 145 Cb -0.44 -0.86 -0.03 0.00 2.01 0.00 0.00 34.83 35.51 1tw5 s MET 145 CO 0.56 0.19 0.69 -0.51 -0.01 0.00 0.00 175.02 175.95 1tw5 s LEU 146 N -1.67 4.27 -0.25 -0.03 1.02 -1.26 -4.83 118.68 115.93 1tw5 s LEU 146 Ca -0.01 1.11 0.01 0.00 0.02 0.00 0.00 54.13 55.26 1tw5 s LEU 146 Cb -0.10 -3.05 0.05 0.00 0.02 0.00 0.00 46.19 43.11 1tw5 s LEU 146 CO 0.02 -0.17 -0.11 -0.63 0.02 0.00 0.00 176.35 175.49 1tw5 s ILE 147 N 1.14 2.36 0.09 -0.59 -1.09 -1.26 -5.10 121.20 116.75 1tw5 s ILE 147 Ca 0.36 -1.39 0.05 0.00 -2.23 0.00 0.00 60.65 57.44 1tw5 s ILE 147 Cb -0.17 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1tw5 s ILE 147 CO 0.16 0.10 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.22 1tw5 s GLU 148 N 1.19 0.89 -0.48 2.79 2.02 -1.26 -5.07 118.70 118.79 1tw5 s GLU 148 Ca -0.05 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 53.91 1tw5 s GLU 148 Cb -0.18 -0.81 0.40 0.00 0.10 0.00 0.00 34.13 33.64 1tw5 s GLU 148 CO -0.06 0.16 1.08 1.19 0.02 0.00 0.00 175.26 177.65 1tw5 n PHE 149 N 0.91 3.57 -1.95 1.61 3.01 -1.26 -4.64 117.46 118.72 1tw5 n PHE 149 Ca -0.18 -3.33 -0.07 0.00 1.01 0.00 0.00 57.45 54.88 1tw5 n PHE 149 Cb 0.56 -0.18 0.10 0.00 -0.01 0.00 0.00 39.48 39.95 1tw5 n PHE 149 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1tw5 n ASN 150 N -0.42 2.91 -4.28 4.37 6.94 -1.26 -5.02 115.26 118.50 1tw5 n ASN 150 Ca 0.37 -3.51 -0.32 0.00 -0.02 0.00 0.00 54.58 51.10 1tw5 n ASN 150 Cb 0.59 -0.43 -0.16 0.00 -2.36 0.00 0.00 39.78 37.42 1tw5 n ASN 150 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1tw5 s ILE 151 N -3.53 2.34 -0.93 1.53 1.01 -1.26 -5.06 121.20 115.30 1tw5 s ILE 151 Ca 0.42 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 1tw5 s ILE 151 Cb 0.38 -1.91 0.09 0.00 0.01 0.00 0.00 42.46 41.04 1tw5 s ILE 151 CO -0.03 0.55 1.22 -2.16 0.00 0.00 0.00 174.94 174.53 1tw5 s PRO 152 N 0.20 3.54 0.45 2.79 0.04 -1.26 -4.98 135.00 135.78 1tw5 s PRO 152 Ca -0.13 -1.41 -0.25 0.00 0.04 0.00 0.00 61.00 59.25 1tw5 s PRO 152 Cb -0.16 -4.97 -0.08 0.00 0.04 0.00 0.00 34.50 29.32 1tw5 s PRO 152 CO 0.07 -1.93 1.45 0.08 0.04 0.00 0.00 177.00 176.70 1tw5 s VAL 153 N 3.68 2.02 -0.25 -0.36 1.01 -1.26 -5.00 120.40 120.24 1tw5 s VAL 153 Ca 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1tw5 s VAL 153 Cb -0.04 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1tw5 s VAL 153 CO -0.07 0.00 0.11 -0.62 0.00 0.00 0.00 175.10 174.52 1tw5 s ASP 154 N -0.45 3.14 0.28 3.32 -1.08 -1.26 -5.04 116.67 115.57 1tw5 s ASP 154 Ca 0.61 -1.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.58 1tw5 s ASP 154 Cb -0.45 -0.34 0.55 0.00 -1.46 0.00 0.00 42.92 41.22 1tw5 s ASP 154 CO 0.58 -0.40 1.82 -0.07 0.52 0.00 0.00 175.17 177.62 1tw5 h LEU 155 N 8.39 0.88 -0.95 -1.34 3.38 -1.95 0.48 115.31 124.21 1tw5 h LEU 155 Ca -0.18 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1tw5 h LEU 155 Cb 1.06 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 1tw5 h LEU 155 CO 0.39 0.45 0.61 0.11 0.09 0.00 0.00 178.44 180.09 1tw5 h LYS 156 N 0.94 1.13 -0.28 1.13 6.56 -1.98 1.15 116.57 125.23 1tw5 h LYS 156 Ca 0.49 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.98 1tw5 h LYS 156 Cb 0.51 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1tw5 h LYS 156 CO -0.28 0.75 0.03 1.25 -2.06 0.00 0.00 179.45 179.15 1tw5 h LEU 157 N 1.16 0.45 -0.41 2.94 5.85 -1.47 0.17 115.31 124.00 1tw5 h LEU 157 Ca 0.39 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1tw5 h LEU 157 Cb 0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1tw5 h LEU 157 CO -0.14 0.61 0.23 0.58 -0.34 0.00 0.00 178.44 179.38 1tw5 h VAL 158 N 0.27 1.15 -0.38 1.05 2.07 0.12 0.07 116.25 120.60 1tw5 h VAL 158 Ca 0.08 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1tw5 h VAL 158 Cb 0.36 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1tw5 h VAL 158 CO 0.01 0.15 0.09 -0.08 0.02 0.00 0.00 177.57 177.76 1tw5 h GLU 159 N 0.53 0.22 -0.63 1.57 4.81 0.16 -1.83 114.58 119.41 1tw5 h GLU 159 Ca 0.14 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1tw5 h GLU 159 Cb 0.04 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1tw5 h GLU 159 CO -0.02 0.14 0.39 0.37 -0.73 0.00 0.00 179.01 179.16 1tw5 h GLN 160 N 0.22 0.74 0.00 1.92 4.15 -0.16 -1.65 115.11 120.33 1tw5 h GLN 160 Ca 0.18 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1tw5 h GLN 160 Cb 0.20 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1tw5 h GLN 160 CO -0.22 0.49 0.00 1.04 -1.93 0.00 0.00 178.83 178.21 1tw5 n GLN 161 N -4.72 0.11 -3.05 1.69 6.02 -0.04 -3.65 117.38 113.75 1tw5 n GLN 161 Ca 0.06 0.33 -0.24 0.00 -0.01 0.00 0.00 57.00 57.14 1tw5 n GLN 161 Cb 0.09 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.61 1tw5 n GLN 161 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1tw5 n ASN 162 N -1.89 3.32 -0.29 1.08 3.02 -0.62 -4.93 115.26 114.95 1tw5 n ASN 162 Ca 0.03 -3.46 0.17 0.00 -0.03 0.00 0.00 54.58 51.29 1tw5 n ASN 162 Cb 0.21 -0.59 0.44 0.00 -0.61 0.00 0.00 39.78 39.24 1tw5 n ASN 162 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1tw5 h PRO 163 N 3.10 0.53 0.00 3.52 0.13 -1.62 -1.00 132.00 136.66 1tw5 h PRO 163 Ca 0.12 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1tw5 h PRO 163 Cb 0.65 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1tw5 h PRO 163 CO 0.72 0.35 -0.03 0.87 -0.23 0.00 0.00 178.00 179.68 1tw5 h LYS 164 N 0.55 0.00 -6.33 0.86 1.57 -1.91 -3.41 116.57 107.89 1tw5 h LYS 164 Ca 0.51 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.72 1tw5 h LYS 164 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1tw5 h LYS 164 CO -0.25 0.03 1.01 0.08 -0.57 0.00 0.00 179.45 179.76 1tw5 s VAL 165 N -3.88 4.03 0.74 0.50 1.01 -0.38 -4.81 120.40 117.61 1tw5 s VAL 165 Ca -0.01 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 1tw5 s VAL 165 Cb 0.11 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1tw5 s VAL 165 CO 0.52 -0.41 1.12 -0.54 0.00 0.00 0.00 175.10 175.78 1tw5 s LYS 166 N 4.26 2.50 0.50 2.72 1.02 0.69 -4.86 119.74 126.57 1tw5 s LYS 166 Ca 0.60 0.29 -0.21 0.00 0.02 0.00 0.00 55.97 56.67 1tw5 s LYS 166 Cb -0.19 -2.01 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 1tw5 s LYS 166 CO 0.24 -1.24 0.67 -0.11 -0.92 0.00 0.00 175.35 173.99 1tw5 n LEU 167 N -3.10 1.17 0.00 3.17 -0.00 -1.26 -1.26 117.00 115.72 1tw5 n LEU 167 Ca 0.07 0.85 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 1tw5 n LEU 167 Cb 0.59 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 1tw5 n LEU 167 CO 0.57 -2.58 0.00 0.61 -0.00 0.00 0.00 177.39 175.99 1tw5 n GLY 168 N 1.62 0.68 2.40 -3.96 0.00 0.30 -3.46 105.19 102.77 1tw5 n GLY 168 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1tw5 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tw5 n GLY 169 N -2.25 0.14 3.87 -0.02 0.00 -0.39 -3.01 105.19 103.54 1tw5 n GLY 169 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1tw5 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tw5 s ARG 170 N -5.25 3.74 -0.17 1.61 1.81 -0.63 -3.08 118.95 116.98 1tw5 s ARG 170 Ca 0.19 0.13 -0.14 0.00 -1.72 0.00 0.00 55.73 54.19 1tw5 s ARG 170 Cb -0.08 -2.92 0.05 0.00 -0.45 0.00 0.00 34.95 31.54 1tw5 s ARG 170 CO 0.23 0.51 0.44 -0.47 -0.68 0.00 0.00 175.30 175.33 1tw5 s TYR 171 N -1.50 -0.52 -0.01 -0.53 5.04 -0.47 -0.22 117.35 119.14 1tw5 s TYR 171 Ca 0.36 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 56.23 1tw5 s TYR 171 Cb -0.13 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.37 1tw5 s TYR 171 CO 0.20 -0.26 -0.04 0.99 -1.34 0.00 0.00 175.55 175.10 1tw5 s THR 172 N 0.45 0.36 0.36 4.34 2.01 -1.26 -1.40 115.64 120.51 1tw5 s THR 172 Ca -0.02 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 1tw5 s THR 172 Cb -0.04 -0.34 -0.11 0.00 0.01 0.00 0.00 72.50 72.02 1tw5 s THR 172 CO -0.02 0.13 1.49 -2.65 -0.69 0.00 0.00 174.62 172.88 1tw5 n PRO 173 N 3.32 2.65 -0.01 4.92 -0.02 -1.26 -4.91 135.00 139.68 1tw5 n PRO 173 Ca -0.17 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1tw5 n PRO 173 Cb 0.56 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 1tw5 n PRO 173 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1tw5 h MET 174 N 3.16 0.05 0.00 -0.52 4.05 -1.99 -3.39 114.93 116.28 1tw5 h MET 174 Ca -0.50 -0.08 -0.18 0.00 -0.28 0.00 0.00 59.70 58.66 1tw5 h MET 174 Cb 1.24 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 1tw5 h MET 174 CO 0.66 0.62 -1.29 -0.44 0.23 0.00 0.00 176.91 176.69 1tw5 h ASP 175 N 0.01 0.00 -5.26 1.39 3.45 -2.00 -3.49 116.42 110.53 1tw5 h ASP 175 Ca -0.30 0.00 -0.41 0.00 0.43 0.00 0.00 57.03 56.75 1tw5 h ASP 175 Cb 2.01 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 40.65 1tw5 h ASP 175 CO 0.08 0.65 -0.54 0.00 -1.57 0.00 0.00 179.24 177.86 1tw5 s ILE 177 N -3.63 4.21 -0.03 0.00 -1.09 -0.22 -4.57 121.20 115.87 1tw5 s ILE 177 Ca 0.38 -0.80 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 1tw5 s ILE 177 Cb 0.04 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1tw5 s ILE 177 CO 0.20 -0.08 0.66 -0.55 -1.23 0.00 0.00 174.94 173.95 1tw5 s SER 178 N 1.51 7.00 0.15 3.58 0.15 -1.26 -1.03 113.70 123.81 1tw5 s SER 178 Ca 0.02 1.20 0.27 0.00 0.70 0.00 0.00 55.95 58.14 1tw5 s SER 178 Cb -0.18 -2.40 0.91 0.00 -1.71 0.00 0.00 66.02 62.64 1tw5 s SER 178 CO 0.04 -0.01 1.80 -0.81 1.20 0.00 0.00 173.24 175.47 1tw5 n PRO 179 N 3.23 0.19 -2.98 5.44 -0.04 -1.26 -4.65 135.00 134.93 1tw5 n PRO 179 Ca -0.04 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 1tw5 n PRO 179 Cb 0.51 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1tw5 n PRO 179 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1tw5 s HIS 180 N -3.07 2.86 -0.51 0.54 3.76 -1.26 -4.99 115.29 112.62 1tw5 s HIS 180 Ca 0.11 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 1tw5 s HIS 180 Cb 0.14 -3.97 0.13 0.00 1.11 0.00 0.00 32.58 29.99 1tw5 s HIS 180 CO 0.58 -1.34 0.40 0.15 -0.85 0.00 0.00 174.74 173.69 1tw5 s LYS 181 N 3.40 2.62 -0.22 1.40 1.02 -1.26 -2.17 119.74 124.53 1tw5 s LYS 181 Ca 0.21 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.28 1tw5 s LYS 181 Cb -0.18 -4.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 1tw5 s LYS 181 CO 0.12 -1.22 0.07 0.08 -0.92 0.00 0.00 175.35 173.49 1tw5 s VAL 182 N 1.24 4.54 -0.30 3.17 1.01 0.89 -1.54 120.40 129.40 1tw5 s VAL 182 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1tw5 s VAL 182 Cb -0.25 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1tw5 s VAL 182 CO -0.01 0.38 0.20 0.00 0.00 0.00 0.00 175.10 175.67 1tw5 s ALA 183 N 1.12 3.49 -0.28 5.51 0.00 -0.53 -1.29 121.76 129.78 1tw5 s ALA 183 Ca 0.04 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1tw5 s ALA 183 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1tw5 s ALA 183 CO 0.03 -0.71 0.31 0.42 0.00 0.00 0.00 175.76 175.81 1tw5 s ILE 184 N 1.73 5.22 -0.15 0.00 1.01 0.06 -1.32 121.20 127.75 1tw5 s ILE 184 Ca 0.07 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 1tw5 s ILE 184 Cb -0.16 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1tw5 s ILE 184 CO 0.10 0.17 -0.05 -0.63 0.00 0.00 0.00 174.94 174.53 1tw5 s ILE 185 N 1.96 3.72 -0.24 2.92 1.01 0.21 0.17 121.20 130.96 1tw5 s ILE 185 Ca 0.12 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1tw5 s ILE 185 Cb -0.16 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1tw5 s ILE 185 CO 0.10 0.50 -0.11 -0.63 0.00 0.00 0.00 174.94 174.80 1tw5 s ILE 186 N 0.40 1.99 0.25 2.92 1.01 0.60 -0.94 121.20 127.43 1tw5 s ILE 186 Ca -0.05 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 58.90 1tw5 s ILE 186 Cb -0.15 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1tw5 s ILE 186 CO 0.03 0.07 1.44 -2.16 0.00 0.00 0.00 174.94 174.32 1tw5 s PRO 187 N 1.21 4.26 -0.04 2.79 0.04 -1.26 -0.66 135.00 141.35 1tw5 s PRO 187 Ca -0.06 2.31 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1tw5 s PRO 187 Cb -0.18 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1tw5 s PRO 187 CO -0.07 -0.42 0.34 0.12 0.04 0.00 0.00 177.00 177.01 1tw5 s PHE 188 N -0.01 -0.24 -0.30 0.56 5.36 0.05 -4.50 117.98 118.90 1tw5 s PHE 188 Ca 0.59 0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 56.83 1tw5 s PHE 188 Cb -0.42 0.12 0.19 0.00 -0.34 0.00 0.00 43.02 42.57 1tw5 s PHE 188 CO 0.43 -0.36 1.20 0.50 -1.46 0.00 0.00 175.22 175.53 1tw5 s ARG 189 N -1.03 0.11 -1.47 10.12 3.52 -1.26 -1.55 118.95 127.40 1tw5 s ARG 189 Ca -0.11 0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1tw5 s ARG 189 Cb -0.04 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1tw5 s ARG 189 CO 0.04 -0.03 0.49 -1.71 -0.81 0.00 0.00 175.30 173.27 1tw5 n ASN 190 N 4.29 -0.97 -2.55 -2.12 4.05 -1.26 -4.89 115.26 111.80 1tw5 n ASN 190 Ca -0.10 -1.01 -0.10 0.00 0.45 0.00 0.00 54.58 53.82 1tw5 n ASN 190 Cb 0.55 -2.98 0.04 0.00 1.23 0.00 0.00 39.78 38.62 1tw5 n ASN 190 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1tw5 n ARG 191 N -4.42 2.34 -0.34 1.20 5.12 -1.26 -4.89 116.66 114.41 1tw5 n ARG 191 Ca -0.23 -3.74 -0.02 0.00 -1.93 0.00 0.00 57.85 51.93 1tw5 n ARG 191 Cb 0.65 -1.81 0.10 0.00 -1.16 0.00 0.00 32.46 30.24 1tw5 n ARG 191 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1tw5 h GLN 192 N 2.52 1.18 -0.65 5.56 5.75 -1.99 -1.51 115.11 125.97 1tw5 h GLN 192 Ca 0.05 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1tw5 h GLN 192 Cb 1.32 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1tw5 h GLN 192 CO 0.43 0.78 0.33 0.93 -2.65 0.00 0.00 178.83 178.66 1tw5 h GLU 193 N 1.21 0.92 -0.43 1.69 4.39 -2.01 -1.49 114.58 118.86 1tw5 h GLU 193 Ca 0.34 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 1tw5 h GLU 193 Cb -0.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1tw5 h GLU 193 CO -0.09 0.71 -0.08 0.45 -1.16 0.00 0.00 179.01 178.85 1tw5 h HIS 194 N 0.89 0.90 -1.00 4.33 3.86 -1.81 -2.80 115.15 119.52 1tw5 h HIS 194 Ca 0.23 -0.19 0.16 0.00 -1.16 0.00 0.00 60.37 59.41 1tw5 h HIS 194 Cb 0.08 -0.22 -0.10 0.00 1.06 0.00 0.00 27.41 28.23 1tw5 h HIS 194 CO -0.00 0.91 0.62 1.25 0.86 0.00 0.00 177.93 181.57 1tw5 h LEU 195 N 0.64 0.86 -0.25 2.43 6.46 -0.89 0.67 115.31 125.23 1tw5 h LEU 195 Ca 0.11 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1tw5 h LEU 195 Cb 0.60 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1tw5 h LEU 195 CO 0.04 0.38 0.15 0.11 -0.62 0.00 0.00 178.44 178.50 1tw5 h LYS 196 N 0.88 0.30 -0.66 1.25 1.57 -1.01 -0.01 116.57 118.88 1tw5 h LYS 196 Ca 0.54 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.22 1tw5 h LYS 196 Cb 0.70 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1tw5 h LYS 196 CO -0.33 0.20 0.08 1.88 -0.57 0.00 0.00 179.45 180.72 1tw5 h TYR 197 N 0.31 1.19 -0.23 -1.35 -1.99 -1.14 0.78 116.97 114.53 1tw5 h TYR 197 Ca 0.09 -0.17 0.04 0.00 2.00 0.00 0.00 58.73 60.68 1tw5 h TYR 197 Cb -0.02 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.36 1tw5 h TYR 197 CO -0.07 1.00 0.02 2.35 -0.00 0.00 0.00 178.16 181.46 1tw5 h TRP 198 N 1.03 0.03 -0.33 4.88 7.01 -0.43 0.18 115.95 128.32 1tw5 h TRP 198 Ca 0.20 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 1tw5 h TRP 198 Cb 0.47 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1tw5 h TRP 198 CO 0.03 -0.01 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.55 1tw5 h LEU 199 N 0.10 0.62 -0.35 0.65 3.38 -0.80 0.24 115.31 119.15 1tw5 h LEU 199 Ca 0.11 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1tw5 h LEU 199 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1tw5 h LEU 199 CO -0.16 0.82 0.05 0.22 0.09 0.00 0.00 178.44 179.46 1tw5 h TYR 200 N 0.40 0.08 0.09 1.13 3.20 -0.41 -3.01 116.97 118.45 1tw5 h TYR 200 Ca 0.09 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 1tw5 h TYR 200 Cb 0.54 0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.84 1tw5 h TYR 200 CO 0.05 -0.00 -0.67 1.88 -1.64 0.00 0.00 178.16 177.77 1tw5 h TYR 201 N 0.16 0.50 -0.30 -3.82 -1.99 -0.55 -3.41 116.97 107.57 1tw5 h TYR 201 Ca 0.16 -0.34 -0.18 0.00 2.00 0.00 0.00 58.73 60.38 1tw5 h TYR 201 Cb 0.20 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.90 1tw5 h TYR 201 CO -0.20 1.23 -0.50 -0.07 -0.00 0.00 0.00 178.16 178.62 1tw5 h LEU 202 N -0.37 0.95 -0.44 3.88 -0.00 -0.56 -3.25 115.31 115.53 1tw5 h LEU 202 Ca -0.11 -0.52 0.07 0.00 -0.00 0.00 0.00 57.88 57.32 1tw5 h LEU 202 Cb 1.48 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 1tw5 h LEU 202 CO 0.13 1.29 0.09 0.45 -0.00 0.00 0.00 178.44 180.40 1tw5 h HIS 203 N 0.65 0.14 -0.59 1.13 3.86 -1.73 0.55 115.15 119.16 1tw5 h HIS 203 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1tw5 h HIS 203 Cb 1.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.55 1tw5 h HIS 203 CO 0.07 0.01 0.38 -1.35 0.86 0.00 0.00 177.93 177.91 1tw5 h PRO 204 N 0.22 0.79 0.27 2.45 0.11 -1.79 -1.90 132.00 132.14 1tw5 h PRO 204 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1tw5 h PRO 204 Cb 0.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1tw5 h PRO 204 CO -0.28 0.53 -0.13 0.82 -0.21 0.00 0.00 178.00 178.74 1tw5 h ILE 205 N 0.80 0.77 -0.48 4.15 2.04 -1.30 -1.77 117.51 121.73 1tw5 h ILE 205 Ca 0.22 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1tw5 h ILE 205 Cb -0.07 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1tw5 h ILE 205 CO -0.05 0.05 0.03 -0.07 0.00 0.00 0.00 178.15 178.11 1tw5 h LEU 206 N -0.46 -0.13 -0.60 1.44 3.38 0.14 -0.88 115.31 118.20 1tw5 h LEU 206 Ca -0.04 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1tw5 h LEU 206 Cb 0.35 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1tw5 h LEU 206 CO 0.06 -0.04 0.35 1.56 0.09 0.00 0.00 178.44 180.47 1tw5 h GLN 207 N 0.15 0.67 0.00 1.13 4.20 -1.22 -0.35 115.11 119.70 1tw5 h GLN 207 Ca 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1tw5 h GLN 207 Cb 0.34 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1tw5 h GLN 207 CO -0.37 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.16 1tw5 h ARG 208 N 0.69 0.00 0.00 1.46 3.08 -0.40 0.83 114.38 120.04 1tw5 h ARG 208 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1tw5 h ARG 208 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1tw5 h ARG 208 CO -0.12 0.07 0.00 1.04 -1.07 0.00 0.00 179.97 179.90 1tw5 n GLN 209 N -4.24 0.81 -3.74 0.04 6.02 -0.16 -4.39 117.38 111.72 1tw5 n GLN 209 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.71 1tw5 n GLN 209 Cb 0.16 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.98 1tw5 n GLN 209 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1tw5 n GLN 210 N -0.96 -3.10 -4.19 -1.09 6.02 0.28 -4.89 117.38 109.45 1tw5 n GLN 210 Ca 0.18 0.52 -0.27 0.00 -0.01 0.00 0.00 57.00 57.42 1tw5 n GLN 210 Cb 0.08 -4.69 -0.08 0.00 1.02 0.00 0.00 30.24 26.58 1tw5 n GLN 210 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tw5 s LEU 211 N -6.62 3.36 -0.69 1.08 1.43 -1.24 -4.74 118.68 111.27 1tw5 s LEU 211 Ca 0.18 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1tw5 s LEU 211 Cb -0.06 -2.03 0.16 0.00 0.03 0.00 0.00 46.19 44.30 1tw5 s LEU 211 CO 0.85 0.11 0.67 -0.62 0.23 0.00 0.00 176.35 177.58 1tw5 s ASP 212 N -2.81 6.45 0.30 2.29 2.15 -0.92 -4.31 116.67 119.82 1tw5 s ASP 212 Ca 0.27 -2.14 0.04 0.00 0.43 0.00 0.00 52.55 51.16 1tw5 s ASP 212 Cb -0.10 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.23 1tw5 s ASP 212 CO 0.19 -0.78 0.03 -0.72 -0.17 0.00 0.00 175.17 173.71 1tw5 s TYR 213 N 1.20 1.89 -0.03 -5.34 -0.85 -0.49 -0.08 117.35 113.65 1tw5 s TYR 213 Ca 0.12 -0.92 -0.06 0.00 -0.52 0.00 0.00 57.07 55.69 1tw5 s TYR 213 Cb -0.20 -1.19 0.01 0.00 0.38 0.00 0.00 41.96 40.96 1tw5 s TYR 213 CO -0.02 0.03 0.14 0.20 -1.52 0.00 0.00 175.55 174.38 1tw5 s GLY 214 N -3.45 -0.04 -0.17 5.49 0.00 -0.41 -1.37 107.32 107.38 1tw5 s GLY 214 Ca 0.34 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.18 1tw5 s GLY 214 CO 0.14 0.09 0.01 -0.42 0.00 0.00 0.00 173.10 172.91 1tw5 s ILE 215 N -0.52 4.26 -0.12 0.90 -1.09 -1.18 -0.76 121.20 122.70 1tw5 s ILE 215 Ca -0.06 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1tw5 s ILE 215 Cb -0.04 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1tw5 s ILE 215 CO 0.01 0.48 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.75 1tw5 s TYR 216 N 0.40 1.91 -0.32 3.97 1.51 0.13 -1.49 117.35 123.46 1tw5 s TYR 216 Ca -0.01 -0.94 -0.10 0.00 -1.01 0.00 0.00 57.07 55.01 1tw5 s TYR 216 Cb -0.13 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1tw5 s TYR 216 CO 0.02 -0.51 0.16 0.08 -1.11 0.00 0.00 175.55 174.19 1tw5 s VAL 217 N 1.19 4.66 -0.59 0.71 1.01 -0.12 -0.29 120.40 126.96 1tw5 s VAL 217 Ca -0.03 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 1tw5 s VAL 217 Cb -0.14 -3.39 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1tw5 s VAL 217 CO -0.04 0.04 0.65 -0.63 0.00 0.00 0.00 175.10 175.12 1tw5 s ILE 218 N 1.62 4.99 -0.30 2.22 -1.09 0.17 -1.33 121.20 127.48 1tw5 s ILE 218 Ca 0.05 -1.25 -0.23 0.00 -2.23 0.00 0.00 60.65 56.99 1tw5 s ILE 218 Cb -0.17 -4.45 -0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1tw5 s ILE 218 CO 0.07 -1.05 0.76 0.21 -1.23 0.00 0.00 174.94 173.70 1tw5 s ASN 219 N 3.56 6.65 -0.21 3.58 2.47 0.26 -0.77 114.94 130.47 1tw5 s ASN 219 Ca 0.09 0.66 -0.28 0.00 0.42 0.00 0.00 52.86 53.75 1tw5 s ASN 219 Cb -0.25 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1tw5 s ASN 219 CO 0.04 -0.57 1.00 -1.58 -3.72 0.00 0.00 177.10 172.27 1tw5 s GLN 220 N 2.86 4.27 0.79 0.43 0.74 -0.59 -0.23 119.66 127.93 1tw5 s GLN 220 Ca 0.31 1.30 -0.12 0.00 0.05 0.00 0.00 55.36 56.91 1tw5 s GLN 220 Cb -0.14 -3.63 0.07 0.00 1.10 0.00 0.00 33.01 30.41 1tw5 s GLN 220 CO 0.12 -0.57 1.12 0.00 -0.55 0.00 0.00 175.29 175.41 1tw5 s ALA 221 N 2.97 2.47 0.13 1.58 0.00 0.31 -4.87 121.76 124.33 1tw5 s ALA 221 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1tw5 s ALA 221 Cb -0.16 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1tw5 s ALA 221 CO 0.08 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1tw5 n GLY 222 N -2.68 -1.69 0.96 0.00 0.00 -1.26 -4.70 105.19 95.82 1tw5 n GLY 222 Ca 0.07 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.72 1tw5 n GLY 222 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tw5 n GLU 223 N -2.38 1.51 -2.42 1.61 -0.58 -1.26 -5.06 120.64 112.07 1tw5 n GLU 223 Ca -0.00 -3.17 -0.24 0.00 -0.42 0.00 0.00 57.16 53.33 1tw5 n GLU 223 Cb 0.22 -1.40 0.13 0.00 -0.57 0.00 0.00 31.44 29.82 1tw5 n GLU 223 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1tw5 n SER 224 N -0.77 1.12 -4.56 1.62 3.41 -1.26 -4.94 113.62 108.23 1tw5 n SER 224 Ca 0.19 -2.01 -0.50 0.00 -0.26 0.00 0.00 58.87 56.29 1tw5 n SER 224 Cb 0.80 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1tw5 n SER 224 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1tw5 n MET 225 N -2.97 1.01 -2.31 4.33 1.56 -1.26 -4.92 117.12 112.56 1tw5 n MET 225 Ca 0.16 0.36 -0.40 0.00 -0.27 0.00 0.00 57.70 57.56 1tw5 n MET 225 Cb 0.58 -1.84 -0.03 0.00 2.15 0.00 0.00 33.22 34.08 1tw5 n MET 225 CO 0.00 0.00 0.00 0.12 -0.73 0.00 0.00 175.97 175.36 1tw5 s PHE 226 N -0.18 3.26 -0.50 1.12 5.36 0.10 -4.76 117.98 122.38 1tw5 s PHE 226 Ca 0.75 1.57 0.04 0.00 -0.96 0.00 0.00 56.93 58.32 1tw5 s PHE 226 Cb -0.89 -3.44 0.16 0.00 -0.34 0.00 0.00 43.02 38.51 1tw5 s PHE 226 CO 0.52 -1.18 0.35 1.21 -1.46 0.00 0.00 175.22 174.66 1tw5 s ASN 227 N -0.85 3.18 0.16 6.13 3.04 -1.26 -0.09 114.94 125.25 1tw5 s ASN 227 Ca 0.50 -3.13 -0.23 0.00 0.04 0.00 0.00 52.86 50.04 1tw5 s ASN 227 Cb -0.34 -0.97 0.05 0.00 -1.54 0.00 0.00 41.25 38.45 1tw5 s ASN 227 CO 0.44 -0.18 1.61 -0.09 -3.04 0.00 0.00 177.10 175.84 1tw5 h ARG 228 N 5.96 -0.24 -0.64 0.43 2.43 -1.87 -2.44 114.38 118.01 1tw5 h ARG 228 Ca 0.14 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1tw5 h ARG 228 Cb 0.87 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1tw5 h ARG 228 CO 0.50 -0.16 0.18 0.00 -1.51 0.00 0.00 179.97 178.98 1tw5 h ALA 229 N 0.78 0.84 -0.83 2.80 0.00 -1.85 -2.51 119.26 118.49 1tw5 h ALA 229 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1tw5 h ALA 229 Cb 0.50 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1tw5 h ALA 229 CO -0.46 0.53 0.37 -0.22 0.00 0.00 0.00 179.25 179.47 1tw5 h LYS 230 N 0.93 1.21 -0.93 0.00 3.64 -1.55 -2.21 116.57 117.65 1tw5 h LYS 230 Ca 0.20 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1tw5 h LYS 230 Cb 0.32 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1tw5 h LYS 230 CO -0.00 0.94 0.57 -0.07 -2.27 0.00 0.00 179.45 178.62 1tw5 h LEU 231 N 1.19 1.11 -1.07 5.20 -0.00 -1.29 -1.65 115.31 118.80 1tw5 h LEU 231 Ca 0.28 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1tw5 h LEU 231 Cb 0.16 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1tw5 h LEU 231 CO -0.03 0.85 0.01 -0.07 -0.00 0.00 0.00 178.44 179.20 1tw5 h LEU 232 N 1.28 0.63 -0.05 1.67 3.38 -0.97 -0.21 115.31 121.04 1tw5 h LEU 232 Ca 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1tw5 h LEU 232 Cb -0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1tw5 h LEU 232 CO -0.06 0.70 0.01 0.78 0.09 0.00 0.00 178.44 179.96 1tw5 h ASN 233 N 0.64 0.08 -0.57 -0.43 2.35 -0.82 -1.32 115.58 115.51 1tw5 h ASN 233 Ca 0.13 -0.23 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1tw5 h ASN 233 Cb 0.38 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.64 1tw5 h ASN 233 CO 0.01 0.29 0.07 0.58 -1.65 0.00 0.00 177.43 176.73 1tw5 h VAL 234 N -0.13 0.61 -0.86 2.81 2.07 -0.99 0.11 116.25 119.87 1tw5 h VAL 234 Ca 0.02 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1tw5 h VAL 234 Cb 0.24 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1tw5 h VAL 234 CO 0.00 0.03 0.50 1.23 0.02 0.00 0.00 177.57 179.36 1tw5 h GLY 235 N 0.19 1.36 0.92 2.17 0.00 -0.55 0.14 103.07 107.30 1tw5 h GLY 235 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1tw5 h GLY 235 CO -0.42 0.13 -0.01 -2.75 0.00 0.00 0.00 176.54 173.49 1tw5 h PHE 236 N 0.83 -0.03 -0.53 5.60 3.57 0.12 -1.08 116.94 125.43 1tw5 h PHE 236 Ca 0.42 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.83 1tw5 h PHE 236 Cb 0.40 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1tw5 h PHE 236 CO -0.05 0.06 -0.03 0.87 -2.23 0.00 0.00 178.31 176.93 1tw5 h LYS 237 N -0.11 0.96 -0.19 1.11 1.57 -0.65 -2.96 116.57 116.29 1tw5 h LYS 237 Ca -0.00 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 1tw5 h LYS 237 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1tw5 h LYS 237 CO 0.01 0.99 -0.46 0.93 -0.57 0.00 0.00 179.45 180.34 1tw5 h GLU 238 N 0.83 0.49 -0.11 3.15 4.39 -0.70 -2.95 114.58 119.68 1tw5 h GLU 238 Ca 0.15 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1tw5 h GLU 238 Cb 0.58 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1tw5 h GLU 238 CO 0.03 0.86 -0.37 0.00 -1.16 0.00 0.00 179.01 178.37 1tw5 h ALA 239 N 1.10 1.18 0.00 3.43 0.00 -1.19 -2.74 119.26 121.05 1tw5 h ALA 239 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1tw5 h ALA 239 Cb 0.96 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1tw5 h ALA 239 CO 0.08 0.55 -0.11 -0.07 0.00 0.00 0.00 179.25 179.71 1tw5 h LEU 240 N 0.19 0.00 0.00 0.00 3.38 -1.35 -1.47 115.31 116.07 1tw5 h LEU 240 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tw5 h LEU 240 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1tw5 h LEU 240 CO 0.06 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.98 1tw5 n LYS 241 N -3.32 0.27 -0.11 1.13 5.02 -1.03 -3.91 118.16 116.21 1tw5 n LYS 241 Ca -0.00 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 1tw5 n LYS 241 Cb 0.31 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 1tw5 n LYS 241 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1tw5 n ASP 242 N -1.36 1.99 -3.65 4.39 9.92 -0.57 -5.07 116.55 122.20 1tw5 n ASP 242 Ca 0.11 0.10 -0.09 0.00 -0.53 0.00 0.00 54.79 54.38 1tw5 n ASP 242 Cb 0.26 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 40.08 1tw5 n ASP 242 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1tw5 s TYR 243 N -2.51 -0.35 -1.19 1.24 5.04 -1.12 -5.06 117.35 113.41 1tw5 s TYR 243 Ca -0.34 0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.23 1tw5 s TYR 243 Cb 0.10 0.63 -0.10 0.00 0.35 0.00 0.00 41.96 42.95 1tw5 s TYR 243 CO 0.59 -1.02 3.04 -0.40 -1.34 0.00 0.00 175.55 176.42 1tw5 n ASP 244 N -0.42 7.83 -4.75 4.32 5.75 -1.26 -4.47 116.55 123.55 1tw5 n ASP 244 Ca -0.10 -2.64 -0.38 0.00 -0.01 0.00 0.00 54.79 51.66 1tw5 n ASP 244 Cb 0.62 -1.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.26 1tw5 n ASP 244 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1tw5 s TYR 245 N 1.37 2.29 0.00 2.11 1.51 -1.26 -4.91 117.35 118.45 1tw5 s TYR 245 Ca 0.67 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 58.14 1tw5 s TYR 245 Cb 0.22 -3.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.32 1tw5 s TYR 245 CO -0.06 -2.80 0.23 0.27 -1.11 0.00 0.00 175.55 172.09 1tw5 n ASN 246 N -1.17 0.47 -3.97 2.29 0.23 -0.59 -4.92 115.26 107.60 1tw5 n ASN 246 Ca 0.11 -0.76 -0.17 0.00 -0.53 0.00 0.00 54.58 53.23 1tw5 n ASN 246 Cb 0.46 0.29 -0.15 0.00 -2.08 0.00 0.00 39.78 38.30 1tw5 n ASN 246 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tw5 s PHE 248 N -0.11 1.38 -0.23 0.00 0.08 -0.42 -1.45 117.98 117.22 1tw5 s PHE 248 Ca 0.02 -0.59 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 1tw5 s PHE 248 Cb -0.03 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1tw5 s PHE 248 CO -0.00 -0.39 0.03 0.08 -0.10 0.00 0.00 175.22 174.84 1tw5 s VAL 249 N 1.24 4.03 -0.31 -0.44 1.01 -0.43 -1.39 120.40 124.11 1tw5 s VAL 249 Ca -0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1tw5 s VAL 249 Cb -0.14 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1tw5 s VAL 249 CO -0.03 0.37 0.17 -0.36 0.00 0.00 0.00 175.10 175.25 1tw5 s PHE 250 N 1.49 3.19 -0.05 5.22 0.40 0.11 0.66 117.98 129.00 1tw5 s PHE 250 Ca 0.06 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1tw5 s PHE 250 Cb -0.15 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.02 1tw5 s PHE 250 CO 0.02 -0.41 -0.10 0.45 0.70 0.00 0.00 175.22 175.87 1tw5 s SER 251 N 1.64 1.47 0.66 1.36 0.15 -0.12 -1.21 113.70 117.65 1tw5 s SER 251 Ca 0.05 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.31 1tw5 s SER 251 Cb -0.17 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1tw5 s SER 251 CO 0.07 0.03 1.14 -1.81 1.20 0.00 0.00 173.24 173.87 1tw5 s ASP 252 N 0.53 4.97 0.23 5.45 1.01 -0.71 -4.01 116.67 124.15 1tw5 s ASP 252 Ca -0.10 2.11 0.22 0.00 0.71 0.00 0.00 52.55 55.50 1tw5 s ASP 252 Cb -0.13 -2.56 0.95 0.00 1.01 0.00 0.00 42.92 42.18 1tw5 s ASP 252 CO 0.02 -1.73 1.67 0.55 0.21 0.00 0.00 175.17 175.90 1tw5 n VAL 253 N -2.33 0.88 -1.26 -1.27 3.14 -1.26 -3.58 118.33 112.65 1tw5 n VAL 253 Ca 0.11 0.27 0.02 0.00 -2.96 0.00 0.00 64.34 61.78 1tw5 n VAL 253 Cb 0.51 -1.19 0.22 0.00 -1.06 0.00 0.00 33.84 32.32 1tw5 n VAL 253 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1tw5 n ASP 254 N -2.16 2.97 -4.20 6.55 3.85 -1.26 -4.28 116.55 118.03 1tw5 n ASP 254 Ca 0.02 -3.45 -0.30 0.00 -0.71 0.00 0.00 54.79 50.36 1tw5 n ASP 254 Cb 0.21 -0.59 -0.16 0.00 -1.35 0.00 0.00 41.12 39.22 1tw5 n ASP 254 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1tw5 s LEU 255 N -3.07 2.00 -0.08 -2.12 2.01 -1.23 -0.97 118.68 115.21 1tw5 s LEU 255 Ca 0.43 -0.46 0.02 0.00 0.01 0.00 0.00 54.13 54.13 1tw5 s LEU 255 Cb 0.37 -1.22 0.01 0.00 0.01 0.00 0.00 46.19 45.36 1tw5 s LEU 255 CO 0.03 0.18 -0.13 -0.63 1.01 0.00 0.00 176.35 176.81 1tw5 s ILE 256 N 0.08 1.24 0.26 -0.59 -1.09 -0.49 -4.96 121.20 115.65 1tw5 s ILE 256 Ca -0.08 -0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 57.52 1tw5 s ILE 256 Cb -0.14 -1.14 -0.09 0.00 -1.58 0.00 0.00 42.46 39.51 1tw5 s ILE 256 CO 0.05 0.38 1.04 -2.16 -1.23 0.00 0.00 174.94 173.02 1tw5 s PRO 257 N 0.79 4.71 0.00 2.79 0.04 -1.26 -0.49 135.00 141.58 1tw5 s PRO 257 Ca -0.12 1.69 0.27 0.00 0.04 0.00 0.00 61.00 62.88 1tw5 s PRO 257 Cb -0.16 -3.23 0.85 0.00 0.04 0.00 0.00 34.50 32.01 1tw5 s PRO 257 CO 0.02 0.31 1.63 -1.33 0.04 0.00 0.00 177.00 177.67 1tw5 n MET 258 N 1.37 0.89 -3.67 4.56 2.81 0.34 -4.79 117.12 118.62 1tw5 n MET 258 Ca -0.01 -0.50 -0.17 0.00 -1.81 0.00 0.00 57.70 55.21 1tw5 n MET 258 Cb 0.46 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.32 1tw5 n MET 258 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1tw5 s ASN 259 N -2.45 0.78 0.00 7.83 3.84 -1.26 0.21 114.94 123.88 1tw5 s ASN 259 Ca 0.26 0.29 0.04 0.00 0.21 0.00 0.00 52.86 53.66 1tw5 s ASN 259 Cb 0.19 0.20 0.23 0.00 -0.55 0.00 0.00 41.25 41.32 1tw5 s ASN 259 CO 0.50 -0.24 0.91 -0.90 -2.79 0.00 0.00 177.10 174.57 1tw5 n ASP 260 N 5.27 0.00 0.00 -4.21 5.68 -0.98 -1.23 116.55 121.08 1tw5 n ASP 260 Ca -0.05 0.13 0.14 0.00 -0.50 0.00 0.00 54.79 54.51 1tw5 n ASP 260 Cb 0.50 -0.21 0.65 0.00 -1.14 0.00 0.00 41.12 40.91 1tw5 n ASP 260 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1tw5 n HIS 261 N -1.21 0.00 -2.45 2.11 8.25 -1.26 -4.19 115.22 116.47 1tw5 n HIS 261 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1tw5 n HIS 261 Cb 0.03 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1tw5 n HIS 261 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1tw5 n ASN 262 N -1.43 4.91 -4.67 0.41 5.15 -0.37 -4.96 115.26 114.30 1tw5 n ASN 262 Ca 0.09 -3.00 -0.47 0.00 -0.60 0.00 0.00 54.58 50.59 1tw5 n ASN 262 Cb 0.30 -1.57 -0.05 0.00 -0.53 0.00 0.00 39.78 37.94 1tw5 n ASN 262 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1tw5 n THR 263 N 4.39 0.23 -2.34 -0.44 -1.04 -1.26 -4.89 114.28 108.93 1tw5 n THR 263 Ca 0.42 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.96 1tw5 n THR 263 Cb 0.40 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1tw5 n THR 263 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1tw5 n TYR 264 N 4.67 3.61 -4.07 -1.42 4.02 -1.26 -4.85 117.16 117.86 1tw5 n TYR 264 Ca 0.19 -2.94 -0.15 0.00 -0.01 0.00 0.00 57.90 54.99 1tw5 n TYR 264 Cb 0.28 -2.19 -0.03 0.00 -0.02 0.00 0.00 39.34 37.38 1tw5 n TYR 264 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1tw5 n ARG 265 N 5.10 0.73 -3.83 -0.72 1.85 -1.26 -4.96 116.66 113.57 1tw5 n ARG 265 Ca 0.43 -2.88 -0.28 0.00 -1.00 0.00 0.00 57.85 54.12 1tw5 n ARG 265 Cb 0.39 2.78 -0.03 0.00 -1.05 0.00 0.00 32.46 34.54 1tw5 n ARG 265 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tw5 n PHE 267 N -0.42 0.46 0.24 0.00 3.01 -1.26 -5.02 117.46 114.47 1tw5 n PHE 267 Ca -0.06 -1.88 0.09 0.00 1.01 0.00 0.00 57.45 56.62 1tw5 n PHE 267 Cb 0.53 -0.12 0.44 0.00 -0.01 0.00 0.00 39.48 40.32 1tw5 n PHE 267 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1tw5 n SER 268 N -1.46 0.45 -4.13 4.37 3.41 -1.26 -4.65 113.62 110.35 1tw5 n SER 268 Ca -0.09 0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1tw5 n SER 268 Cb 0.46 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1tw5 n SER 268 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1tw5 s GLN 269 N -3.34 0.75 0.22 4.33 -1.52 -1.26 -5.06 119.66 113.78 1tw5 s GLN 269 Ca 0.01 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 51.80 1tw5 s GLN 269 Cb 0.06 0.10 -0.15 0.00 -0.22 0.00 0.00 33.01 32.81 1tw5 s GLN 269 CO 0.23 -0.13 1.07 -2.30 -0.25 0.00 0.00 175.29 173.91 1tw5 n PRO 270 N 0.01 1.17 -4.57 2.91 -0.02 -1.24 -4.57 135.00 128.70 1tw5 n PRO 270 Ca -0.11 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1tw5 n PRO 270 Cb 0.62 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.12 1tw5 n PRO 270 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1tw5 s ARG 271 N -0.84 3.50 -0.20 -0.52 6.06 0.13 -0.64 118.95 126.45 1tw5 s ARG 271 Ca 0.67 -0.61 -0.07 0.00 -2.50 0.00 0.00 55.73 53.22 1tw5 s ARG 271 Cb -0.80 -2.77 -0.04 0.00 0.06 0.00 0.00 34.95 31.40 1tw5 s ARG 271 CO 0.55 0.20 0.05 -1.58 -2.50 0.00 0.00 175.30 172.02 1tw5 s HIS 272 N 0.42 3.17 -0.22 5.12 5.65 -0.21 0.39 115.29 129.61 1tw5 s HIS 272 Ca -0.07 -0.10 -0.06 0.00 0.25 0.00 0.00 55.06 55.08 1tw5 s HIS 272 Cb -0.15 -2.10 -0.11 0.00 -1.18 0.00 0.00 32.58 29.03 1tw5 s HIS 272 CO 0.04 -0.01 -0.24 -0.89 -0.65 0.00 0.00 174.74 172.99 1tw5 n ILE 273 N 3.90 1.21 -1.81 0.89 5.41 0.18 -4.26 119.36 124.89 1tw5 n ILE 273 Ca -0.16 -0.37 -0.41 0.00 1.00 0.00 0.00 62.75 62.80 1tw5 n ILE 273 Cb 0.52 -1.56 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1tw5 n ILE 273 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1tw5 n SER 274 N -3.62 6.12 0.15 4.38 3.41 -1.12 -4.66 113.62 118.29 1tw5 n SER 274 Ca -0.41 -2.88 0.03 0.00 -0.26 0.00 0.00 58.87 55.35 1tw5 n SER 274 Cb 0.85 -1.54 0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1tw5 n SER 274 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1tw5 h VAL 275 N 3.45 0.98 -2.47 -3.33 -1.51 -1.83 -3.39 116.25 108.14 1tw5 h VAL 275 Ca 0.63 -2.02 -0.59 0.00 -1.23 0.00 0.00 66.70 63.49 1tw5 h VAL 275 Cb 0.49 2.23 -0.40 0.00 -2.13 0.00 0.00 31.29 31.48 1tw5 h VAL 275 CO 1.74 0.49 -0.85 0.00 -1.23 0.00 0.00 177.57 177.71 1tw5 n ALA 276 N -2.28 3.06 -1.99 5.19 0.00 -0.93 -3.14 120.51 120.42 1tw5 n ALA 276 Ca 0.01 -3.72 -0.38 0.00 0.00 0.00 0.00 53.44 49.35 1tw5 n ALA 276 Cb 0.65 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 1tw5 n ALA 276 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1tw5 s MET 277 N -0.85 4.47 0.28 0.00 -1.94 -1.24 -1.10 119.30 118.92 1tw5 s MET 277 Ca 0.32 1.09 0.02 0.00 -1.71 0.00 0.00 55.69 55.41 1tw5 s MET 277 Cb 0.05 -3.08 0.58 0.00 2.01 0.00 0.00 34.83 34.39 1tw5 s MET 277 CO -0.16 0.48 1.83 0.38 -0.01 0.00 0.00 175.02 177.54 1tw5 h ASP 278 N 3.88 0.92 -0.33 3.03 3.04 -1.52 0.35 116.42 125.78 1tw5 h ASP 278 Ca -0.47 0.05 0.10 0.00 -3.24 0.00 0.00 57.03 53.47 1tw5 h ASP 278 Cb 1.20 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 39.35 1tw5 h ASP 278 CO 0.66 0.47 0.26 0.50 -2.04 0.00 0.00 179.24 179.08 1tw5 h LYS 279 N 0.97 0.00 -0.47 4.15 3.64 -1.91 0.81 116.57 123.76 1tw5 h LYS 279 Ca 0.51 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.70 1tw5 h LYS 279 Cb 0.54 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1tw5 h LYS 279 CO -0.28 0.00 0.09 1.19 -2.27 0.00 0.00 179.45 178.18 1tw5 n PHE 280 N -4.29 1.52 -3.29 1.91 0.99 0.05 -4.93 117.46 109.43 1tw5 n PHE 280 Ca 0.05 -1.41 -0.17 0.00 -0.00 0.00 0.00 57.45 55.92 1tw5 n PHE 280 Cb 0.43 -0.54 0.07 0.00 -1.00 0.00 0.00 39.48 38.43 1tw5 n PHE 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1tw5 n GLY 281 N -0.86 -0.25 4.07 1.37 0.00 0.28 -3.03 105.19 106.76 1tw5 n GLY 281 Ca 0.35 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 1tw5 n GLY 281 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tw5 n PHE 282 N -4.05 -1.52 -3.89 1.61 3.01 0.10 -4.92 117.46 107.80 1tw5 n PHE 282 Ca -0.12 0.70 -0.11 0.00 1.01 0.00 0.00 57.45 58.93 1tw5 n PHE 282 Cb 0.60 -3.45 0.01 0.00 -0.01 0.00 0.00 39.48 36.63 1tw5 n PHE 282 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1tw5 s SER 283 N -4.38 0.35 -0.00 4.37 0.15 -1.17 -4.75 113.70 108.27 1tw5 s SER 283 Ca 0.00 -1.31 -0.12 0.00 0.70 0.00 0.00 55.95 55.22 1tw5 s SER 283 Cb -0.00 0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 1tw5 s SER 283 CO 0.92 -1.62 0.35 -0.76 1.20 0.00 0.00 173.24 173.34 1tw5 s LEU 284 N -3.14 4.43 0.21 3.45 1.43 -1.19 -3.68 118.68 120.19 1tw5 s LEU 284 Ca 0.20 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1tw5 s LEU 284 Cb -0.04 -2.59 0.18 0.00 0.03 0.00 0.00 46.19 43.77 1tw5 s LEU 284 CO 0.15 0.30 1.53 1.55 0.23 0.00 0.00 176.35 180.11 1tw5 h PRO 285 N 4.49 0.38 -2.78 1.29 0.13 -1.89 -3.45 132.00 130.16 1tw5 h PRO 285 Ca -0.52 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 64.29 1tw5 h PRO 285 Cb 1.21 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 1tw5 h PRO 285 CO 0.62 0.86 -0.01 1.52 -0.23 0.00 0.00 178.00 180.76 1tw5 s TYR 286 N -3.83 -0.38 0.51 1.56 -0.85 -1.26 -5.06 117.35 108.03 1tw5 s TYR 286 Ca -0.05 0.46 0.21 0.00 -0.52 0.00 0.00 57.07 57.17 1tw5 s TYR 286 Cb 0.12 0.29 1.40 0.00 0.38 0.00 0.00 41.96 44.15 1tw5 s TYR 286 CO 0.82 -0.60 2.13 -0.24 -1.52 0.00 0.00 175.55 176.15 1tw5 h VAL 287 N 2.97 0.83 -0.21 -3.49 3.04 -2.04 -1.96 116.25 115.39 1tw5 h VAL 287 Ca -0.30 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1tw5 h VAL 287 Cb 1.20 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1tw5 h VAL 287 CO 0.41 0.06 0.00 0.00 -1.01 0.00 0.00 177.57 177.03 1tw5 n GLN 288 N -4.15 1.69 -1.83 4.17 3.00 -1.26 -4.90 117.38 114.09 1tw5 n GLN 288 Ca -0.03 -1.05 -0.42 0.00 -0.01 0.00 0.00 57.00 55.49 1tw5 n GLN 288 Cb 0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 1tw5 n GLN 288 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1tw5 s TYR 289 N -1.73 1.61 -0.12 1.08 5.04 -0.74 -4.84 117.35 117.65 1tw5 s TYR 289 Ca 0.28 -0.09 0.15 0.00 -2.44 0.00 0.00 57.07 54.98 1tw5 s TYR 289 Cb 0.15 -4.08 0.36 0.00 0.35 0.00 0.00 41.96 38.74 1tw5 s TYR 289 CO 0.22 -4.65 1.17 0.34 -1.34 0.00 0.00 175.55 171.30 1tw5 n PHE 290 N 7.61 0.00 -2.54 4.97 7.35 -1.26 -5.03 117.46 128.56 1tw5 n PHE 290 Ca 0.19 -0.99 -0.24 0.00 -0.76 0.00 0.00 57.45 55.64 1tw5 n PHE 290 Cb 0.42 -0.19 0.13 0.00 0.35 0.00 0.00 39.48 40.19 1tw5 n PHE 290 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1tw5 s GLY 291 N -2.62 1.76 0.00 7.13 0.00 -1.26 -4.80 107.32 107.53 1tw5 s GLY 291 Ca 0.32 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1tw5 s GLY 291 CO -0.08 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1tw5 n GLY 292 N -3.00 1.98 2.98 0.20 0.00 -1.26 -4.72 105.19 101.37 1tw5 n GLY 292 Ca 0.16 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1tw5 n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tw5 s VAL 293 N 0.00 0.96 0.22 1.61 1.01 -1.26 -1.74 120.40 121.20 1tw5 s VAL 293 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1tw5 s VAL 293 Cb 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1tw5 s VAL 293 CO 0.00 0.32 0.35 -0.94 0.00 0.00 0.00 175.10 174.83 1tw5 s SER 294 N 0.84 -0.01 -0.10 3.32 1.04 -0.35 -0.65 113.70 117.79 1tw5 s SER 294 Ca -0.12 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.23 1tw5 s SER 294 Cb -0.15 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1tw5 s SER 294 CO 0.02 -1.01 0.25 0.00 0.98 0.00 0.00 173.24 173.47 1tw5 s ALA 295 N -4.04 -0.58 -0.02 5.32 0.00 0.16 -0.71 121.76 121.89 1tw5 s ALA 295 Ca 0.25 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1tw5 s ALA 295 Cb 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1tw5 s ALA 295 CO 0.08 -0.17 -0.11 -0.51 0.00 0.00 0.00 175.76 175.04 1tw5 s LEU 296 N 0.90 1.92 0.91 0.00 1.02 -0.49 0.17 118.68 123.10 1tw5 s LEU 296 Ca -0.06 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1tw5 s LEU 296 Cb -0.08 -0.61 0.14 0.00 0.02 0.00 0.00 46.19 45.66 1tw5 s LEU 296 CO -0.06 0.11 1.12 -0.94 0.02 0.00 0.00 176.35 176.61 1tw5 s SER 297 N -0.06 3.50 0.15 2.29 1.04 -1.26 -1.30 113.70 118.06 1tw5 s SER 297 Ca 0.01 1.07 -0.17 0.00 0.48 0.00 0.00 55.95 57.34 1tw5 s SER 297 Cb -0.07 -1.69 0.06 0.00 0.10 0.00 0.00 66.02 64.42 1tw5 s SER 297 CO 0.00 -2.57 1.71 0.50 0.98 0.00 0.00 173.24 173.86 1tw5 h LYS 298 N -1.51 0.09 -0.66 4.02 3.64 -0.60 -1.27 116.57 120.29 1tw5 h LYS 298 Ca -0.51 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1tw5 h LYS 298 Cb 1.32 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1tw5 h LYS 298 CO 0.61 0.06 0.14 -0.56 -2.27 0.00 0.00 179.45 177.42 1tw5 h GLN 299 N 0.10 1.07 -0.92 1.90 3.07 -1.92 -1.79 115.11 116.61 1tw5 h GLN 299 Ca 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 1tw5 h GLN 299 Cb 0.21 -0.13 -0.04 0.00 0.08 0.00 0.00 27.48 27.59 1tw5 h GLN 299 CO -0.26 0.97 0.57 1.96 0.09 0.00 0.00 178.83 182.16 1tw5 h GLN 300 N 1.00 1.24 -0.53 0.06 4.20 -1.81 -0.09 115.11 119.17 1tw5 h GLN 300 Ca 0.20 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1tw5 h GLN 300 Cb 0.40 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1tw5 h GLN 300 CO 0.01 0.85 0.02 0.35 -0.67 0.00 0.00 178.83 179.39 1tw5 h PHE 301 N 1.26 1.01 -0.25 2.96 3.57 -0.99 -3.03 116.94 121.48 1tw5 h PHE 301 Ca 0.33 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 1tw5 h PHE 301 Cb -0.08 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1tw5 h PHE 301 CO 0.00 0.92 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.51 1tw5 h LEU 302 N 0.81 0.64 -2.23 0.59 3.38 -0.93 -1.24 115.31 116.33 1tw5 h LEU 302 Ca 0.15 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1tw5 h LEU 302 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1tw5 h LEU 302 CO 0.02 0.98 0.21 -1.28 0.09 0.00 0.00 178.44 178.46 1tw5 h SER 303 N 0.49 0.00 -0.46 -0.43 0.87 -0.90 -0.70 113.55 112.42 1tw5 h SER 303 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1tw5 h SER 303 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1tw5 h SER 303 CO 0.08 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.68 1tw5 n ILE 304 N -3.77 0.94 -3.40 2.23 -5.35 -1.17 -4.94 119.36 103.90 1tw5 n ILE 304 Ca 0.02 -0.97 -0.19 0.00 -0.27 0.00 0.00 62.75 61.33 1tw5 n ILE 304 Cb 0.33 0.55 0.07 0.00 -1.74 0.00 0.00 39.64 38.84 1tw5 n ILE 304 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1tw5 n ASN 305 N 0.92 -5.43 0.00 7.28 5.15 -0.27 -4.72 115.26 118.19 1tw5 n ASN 305 Ca 0.16 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1tw5 n ASN 305 Cb 0.49 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 1tw5 n ASN 305 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tw5 n GLY 306 N -1.72 1.10 3.77 8.20 0.00 -0.48 -1.29 105.19 114.78 1tw5 n GLY 306 Ca -0.01 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1tw5 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tw5 s PHE 307 N 0.00 2.70 0.46 1.61 0.08 -1.26 -4.88 117.98 116.69 1tw5 s PHE 307 Ca 0.00 -0.45 -0.22 0.00 0.12 0.00 0.00 56.93 56.38 1tw5 s PHE 307 Cb 0.00 -1.84 -0.08 0.00 -0.57 0.00 0.00 43.02 40.52 1tw5 s PHE 307 CO 0.00 0.19 1.08 -1.25 -0.10 0.00 0.00 175.22 175.14 1tw5 s PRO 308 N -3.93 3.85 0.00 0.24 0.04 -1.26 -4.07 135.00 129.87 1tw5 s PRO 308 Ca 0.41 1.51 0.18 0.00 0.04 0.00 0.00 61.00 63.14 1tw5 s PRO 308 Cb -0.01 -2.28 -0.17 0.00 0.04 0.00 0.00 34.50 32.08 1tw5 s PRO 308 CO 0.24 -0.41 0.79 0.09 0.04 0.00 0.00 177.00 177.75 1tw5 n ASN 309 N -0.65 0.99 -0.86 6.66 3.02 -1.26 -3.53 115.26 119.64 1tw5 n ASN 309 Ca 0.08 -0.99 0.08 0.00 -0.03 0.00 0.00 54.58 53.72 1tw5 n ASN 309 Cb 0.51 0.92 0.23 0.00 -0.61 0.00 0.00 39.78 40.83 1tw5 n ASN 309 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tw5 n ASN 310 N -1.23 2.50 -4.49 6.41 3.02 -1.26 -4.77 115.26 115.44 1tw5 n ASN 310 Ca 0.04 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 1tw5 n ASN 310 Cb 0.30 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 1tw5 n ASN 310 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1tw5 s TYR 311 N -1.42 3.23 -0.10 3.10 1.51 -1.26 -4.98 117.35 117.42 1tw5 s TYR 311 Ca 0.32 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1tw5 s TYR 311 Cb 0.17 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1tw5 s TYR 311 CO 0.23 -0.50 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.50 1tw5 s TRP 312 N 1.70 2.90 0.00 2.71 0.52 -1.26 -4.58 118.94 120.93 1tw5 s TRP 312 Ca 0.06 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 55.94 1tw5 s TRP 312 Cb -0.18 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.34 1tw5 s TRP 312 CO 0.10 0.09 0.00 0.41 0.02 0.00 0.00 176.95 177.57 1tw5 n GLY 313 N 2.88 -3.29 3.79 0.98 0.00 0.87 -4.47 105.19 105.96 1tw5 n GLY 313 Ca -0.18 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1tw5 n GLY 313 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1tw5 s TRP 314 N -0.99 3.50 0.00 1.61 -0.00 -0.11 -4.67 118.94 118.28 1tw5 s TRP 314 Ca 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 1tw5 s TRP 314 Cb 0.00 -2.96 0.00 0.00 -0.00 0.00 0.00 33.47 30.51 1tw5 s TRP 314 CO 0.00 -0.07 0.00 0.41 -0.00 0.00 0.00 176.95 177.29 1tw5 n GLY 315 N 0.22 -1.37 3.37 5.86 0.00 -1.26 -0.43 105.19 111.58 1tw5 n GLY 315 Ca 0.04 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1tw5 n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tw5 n GLY 316 N -0.33 2.58 0.35 -0.02 0.00 -1.26 -4.81 105.19 101.71 1tw5 n GLY 316 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1tw5 n GLY 316 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1tw5 h GLU 317 N 0.02 0.70 -0.12 1.61 9.09 -1.94 0.30 114.58 124.24 1tw5 h GLU 317 Ca 0.00 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.18 1tw5 h GLU 317 Cb 0.00 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1tw5 h GLU 317 CO 0.00 0.46 -0.71 0.38 0.05 0.00 0.00 179.01 179.20 1tw5 h ASP 318 N 0.72 0.62 0.23 3.06 -0.00 -1.90 -1.71 116.42 117.45 1tw5 h ASP 318 Ca 0.30 -0.39 -0.09 0.00 -0.00 0.00 0.00 57.03 56.85 1tw5 h ASP 318 Cb 0.26 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.39 1tw5 h ASP 318 CO -0.10 1.14 -0.37 0.44 -0.00 0.00 0.00 179.24 180.36 1tw5 h ASP 319 N 0.37 0.20 -0.48 4.15 3.32 -1.35 -0.97 116.42 121.65 1tw5 h ASP 319 Ca -0.03 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1tw5 h ASP 319 Cb 1.29 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1tw5 h ASP 319 CO 0.13 0.56 0.06 -0.78 -1.72 0.00 0.00 179.24 177.48 1tw5 h ASP 320 N 0.17 0.78 -0.60 6.45 3.58 -0.25 -2.08 116.42 124.47 1tw5 h ASP 320 Ca 0.02 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.16 1tw5 h ASP 320 Cb 0.73 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1tw5 h ASP 320 CO 0.06 0.86 0.22 0.40 -2.88 0.00 0.00 179.24 177.90 1tw5 h ILE 321 N 0.68 1.23 -0.37 2.25 2.04 -0.80 -1.43 117.51 121.11 1tw5 h ILE 321 Ca 0.14 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1tw5 h ILE 321 Cb 0.42 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1tw5 h ILE 321 CO 0.01 0.29 0.05 0.22 0.00 0.00 0.00 178.15 178.72 1tw5 h TYR 322 N 0.84 0.08 -0.59 1.37 3.20 -1.02 -1.50 116.97 119.35 1tw5 h TYR 322 Ca 0.20 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.15 1tw5 h TYR 322 Cb 0.23 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1tw5 h TYR 322 CO 0.01 -0.01 0.30 -0.91 -1.64 0.00 0.00 178.16 175.91 1tw5 h ASN 323 N 0.17 0.42 -0.87 -2.11 2.35 -0.80 -2.11 115.58 112.62 1tw5 h ASN 323 Ca 0.18 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1tw5 h ASN 323 Cb 0.22 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1tw5 h ASN 323 CO -0.25 0.27 0.54 0.03 -1.65 0.00 0.00 177.43 176.37 1tw5 h ARG 324 N 0.56 0.96 -0.34 0.81 3.08 -0.35 -0.37 114.38 118.72 1tw5 h ARG 324 Ca 0.27 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1tw5 h ARG 324 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1tw5 h ARG 324 CO -0.19 0.63 0.16 -0.07 -1.07 0.00 0.00 179.97 179.42 1tw5 h LEU 325 N 0.99 0.46 -0.33 3.04 3.38 -0.68 -2.36 115.31 119.80 1tw5 h LEU 325 Ca 0.38 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1tw5 h LEU 325 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1tw5 h LEU 325 CO -0.17 0.47 0.03 0.00 0.09 0.00 0.00 178.44 178.85 1tw5 h ALA 326 N 1.01 0.44 -0.53 1.53 0.00 -0.78 -0.26 119.26 120.66 1tw5 h ALA 326 Ca 0.12 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1tw5 h ALA 326 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1tw5 h ALA 326 CO -0.01 0.17 0.35 0.74 0.00 0.00 0.00 179.25 180.50 1tw5 h PHE 327 N 0.38 0.54 -0.20 0.00 0.05 -1.00 0.35 116.94 117.05 1tw5 h PHE 327 Ca 0.10 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.90 1tw5 h PHE 327 Cb 0.40 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.17 1tw5 h PHE 327 CO 0.03 0.30 0.00 0.54 -0.18 0.00 0.00 178.31 179.00 1tw5 n ARG 328 N -4.47 1.86 -1.12 1.51 5.12 -0.90 -4.90 116.66 113.76 1tw5 n ARG 328 Ca 0.07 -0.88 -0.04 0.00 -1.93 0.00 0.00 57.85 55.07 1tw5 n ARG 328 Cb 0.19 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1tw5 n ARG 328 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tw5 n GLY 329 N 0.51 0.66 3.96 -0.13 0.00 0.12 -5.02 105.19 105.28 1tw5 n GLY 329 Ca 0.08 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1tw5 n GLY 329 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tw5 s MET 330 N -1.76 3.45 0.39 1.61 -1.94 -0.14 -4.99 119.30 115.92 1tw5 s MET 330 Ca 0.00 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 1tw5 s MET 330 Cb 0.00 -2.87 -0.07 0.00 2.01 0.00 0.00 34.83 33.89 1tw5 s MET 330 CO 0.00 0.41 -0.00 -1.54 -0.01 0.00 0.00 175.02 173.88 1tw5 s SER 331 N -3.72 3.91 -0.20 3.03 1.04 -1.26 -3.88 113.70 112.62 1tw5 s SER 331 Ca 0.35 -1.28 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 1tw5 s SER 331 Cb -0.10 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.57 1tw5 s SER 331 CO 0.30 -0.38 0.18 -0.69 0.98 0.00 0.00 173.24 173.62 1tw5 s VAL 332 N -2.66 5.37 -0.06 5.02 1.01 -1.26 -3.59 120.40 124.24 1tw5 s VAL 332 Ca 0.35 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1tw5 s VAL 332 Cb 0.07 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1tw5 s VAL 332 CO 0.18 0.40 0.41 -0.55 0.00 0.00 0.00 175.10 175.55 1tw5 s SER 333 N 0.55 6.72 0.03 3.32 0.15 0.19 -4.94 113.70 119.72 1tw5 s SER 333 Ca 0.10 0.86 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 1tw5 s SER 333 Cb -0.12 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1tw5 s SER 333 CO 0.01 0.20 -0.02 -0.13 1.20 0.00 0.00 173.24 174.50 1tw5 s ARG 334 N -0.36 0.39 0.55 5.44 0.52 -1.26 -1.04 118.95 123.18 1tw5 s ARG 334 Ca 0.23 -0.73 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1tw5 s ARG 334 Cb -0.16 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 1tw5 s ARG 334 CO 0.11 -0.07 0.93 -1.25 0.02 0.00 0.00 175.30 175.04 1tw5 s PRO 335 N -2.01 3.65 0.96 3.54 0.04 -1.26 -5.04 135.00 134.88 1tw5 s PRO 335 Ca -0.11 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 1tw5 s PRO 335 Cb -0.06 -2.20 0.17 0.00 0.04 0.00 0.00 34.50 32.45 1tw5 s PRO 335 CO -0.03 -0.37 1.09 0.54 0.04 0.00 0.00 177.00 178.26 1tw5 s ASN 336 N -3.92 2.77 0.59 6.66 6.03 -1.26 -4.75 114.94 121.07 1tw5 s ASN 336 Ca 0.53 1.64 0.35 0.00 -1.03 0.00 0.00 52.86 54.35 1tw5 s ASN 336 Cb -0.11 -2.29 1.84 0.00 -3.03 0.00 0.00 41.25 37.67 1tw5 s ASN 336 CO 0.46 -3.10 2.19 0.00 -2.03 0.00 0.00 177.10 174.62 1tw5 h ALA 337 N -1.87 1.16 0.01 3.54 0.00 -1.95 -1.83 119.26 118.32 1tw5 h ALA 337 Ca -0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1tw5 h ALA 337 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1tw5 h ALA 337 CO 0.51 0.05 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 1tw5 h VAL 338 N 0.00 1.37 -0.00 0.00 2.07 -1.96 -3.23 116.25 114.51 1tw5 h VAL 338 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1tw5 h VAL 338 Cb 0.21 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1tw5 h VAL 338 CO 0.01 0.30 -0.35 2.30 0.02 0.00 0.00 177.57 179.84 1tw5 n ILE 339 N -4.86 0.00 0.51 4.57 -5.35 -1.15 -3.83 119.36 109.25 1tw5 n ILE 339 Ca -0.08 -0.01 0.07 0.00 -0.27 0.00 0.00 62.75 62.46 1tw5 n ILE 339 Cb 0.26 0.08 0.21 0.00 -1.74 0.00 0.00 39.64 38.44 1tw5 n ILE 339 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tw5 n GLY 340 N 1.47 1.20 3.75 3.28 0.00 -0.70 -4.16 105.19 110.03 1tw5 n GLY 340 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1tw5 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tw5 s LYS 341 N -1.38 4.17 0.01 1.61 1.02 -1.22 -2.19 119.74 121.76 1tw5 s LYS 341 Ca 0.31 2.49 -0.13 0.00 0.02 0.00 0.00 55.97 58.66 1tw5 s LYS 341 Cb 0.16 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1tw5 s LYS 341 CO 0.21 -0.57 0.28 -0.08 -0.92 0.00 0.00 175.35 174.28 1tw5 s THR 342 N -0.01 0.07 0.00 2.17 -1.32 -0.26 -0.51 115.64 115.79 1tw5 s THR 342 Ca 0.62 -0.61 -0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1tw5 s THR 342 Cb -0.46 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1tw5 s THR 342 CO 0.47 -0.33 0.10 -0.13 -2.21 0.00 0.00 174.62 172.51 1tw5 s ARG 343 N -1.90 3.11 -0.15 7.08 0.52 0.36 -1.21 118.95 126.77 1tw5 s ARG 343 Ca -0.10 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 1tw5 s ARG 343 Cb -0.03 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 1tw5 s ARG 343 CO 0.01 0.64 -0.13 -1.58 0.02 0.00 0.00 175.30 174.25 1tw5 s HIS 344 N -1.24 2.81 -0.37 -0.53 5.65 -1.26 -1.39 115.29 118.96 1tw5 s HIS 344 Ca 0.24 -0.82 -0.29 0.00 0.25 0.00 0.00 55.06 54.44 1tw5 s HIS 344 Cb -0.12 -1.88 -0.00 0.00 -1.18 0.00 0.00 32.58 29.40 1tw5 s HIS 344 CO 0.16 -0.34 1.55 0.42 -0.65 0.00 0.00 174.74 175.88 1tw5 s ILE 345 N 0.61 3.75 0.32 0.89 1.01 -0.15 -4.92 121.20 122.71 1tw5 s ILE 345 Ca -0.08 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 1tw5 s ILE 345 Cb -0.16 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1tw5 s ILE 345 CO 0.03 -0.61 1.34 -1.14 0.00 0.00 0.00 174.94 174.56 1tw5 n ARG 346 N 8.16 2.15 -3.99 2.79 0.63 -1.26 -4.98 116.66 120.16 1tw5 n ARG 346 Ca 0.19 0.76 -0.09 0.00 -0.92 0.00 0.00 57.85 57.78 1tw5 n ARG 346 Cb 0.47 -2.37 -0.06 0.00 0.45 0.00 0.00 32.46 30.96 1tw5 n ARG 346 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1tw5 s HIS 347 N -0.80 0.38 0.52 -0.14 -3.43 -1.26 -5.17 115.29 105.39 1tw5 s HIS 347 Ca 0.59 -0.74 0.03 0.00 -0.80 0.00 0.00 55.06 54.14 1tw5 s HIS 347 Cb -0.58 0.14 0.03 0.00 -1.43 0.00 0.00 32.58 30.74 1tw5 s HIS 347 CO 0.59 -0.95 0.73 -1.54 -2.00 0.00 0.00 174.74 171.56 1tw5 s SER 348 N -3.01 5.35 0.27 7.38 1.04 -1.26 -5.06 113.70 118.41 1tw5 s SER 348 Ca 0.22 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 1tw5 s SER 348 Cb -0.00 -0.79 -0.09 0.00 0.10 0.00 0.00 66.02 65.24 1tw5 s SER 348 CO 0.08 -1.07 1.21 -0.13 0.98 0.00 0.00 173.24 174.32 1tw5 s ARG 349 N -4.67 4.49 0.39 4.02 0.52 -1.26 -5.01 118.95 117.43 1tw5 s ARG 349 Ca 0.57 1.99 -0.13 0.00 -0.52 0.00 0.00 55.73 57.63 1tw5 s ARG 349 Cb -0.10 -3.16 -0.08 0.00 0.52 0.00 0.00 34.95 32.13 1tw5 s ARG 349 CO 0.37 -0.03 0.79 -0.51 0.02 0.00 0.00 175.30 175.95 1tw5 s ASP 350 N -0.44 6.64 0.45 0.23 1.11 -1.26 -5.04 116.67 118.37 1tw5 s ASP 350 Ca 0.49 1.27 -0.22 0.00 0.18 0.00 0.00 52.55 54.27 1tw5 s ASP 350 Cb -0.35 -2.37 -0.09 0.00 1.07 0.00 0.00 42.92 41.18 1tw5 s ASP 350 CO 0.44 -0.35 1.06 -0.54 1.18 0.00 0.00 175.17 176.95 1tw5 s LYS 351 N -3.54 3.94 -0.74 8.23 -0.14 -1.26 -3.57 119.74 122.67 1tw5 s LYS 351 Ca 0.54 1.47 0.00 0.00 -1.36 0.00 0.00 55.97 56.61 1tw5 s LYS 351 Cb -0.10 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 1tw5 s LYS 351 CO 0.25 -0.33 0.00 1.63 -0.76 0.00 0.00 175.35 176.15 1tw5 n LYS 352 N -0.55 -0.63 -2.74 1.68 4.76 -1.26 -4.89 118.16 114.53 1tw5 n LYS 352 Ca 0.07 0.49 -0.03 0.00 -2.87 0.00 0.00 58.31 55.97 1tw5 n LYS 352 Cb 0.51 -4.42 0.07 0.00 -1.84 0.00 0.00 35.03 29.36 1tw5 n LYS 352 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1tw5 n ASN 353 N 0.50 0.37 -4.78 4.39 5.15 -1.23 0.00 115.26 119.66 1tw5 n ASN 353 Ca -0.09 -2.26 -0.32 0.00 -0.60 0.00 0.00 54.58 51.31 1tw5 n ASN 353 Cb 0.50 -0.02 0.07 0.00 -0.53 0.00 0.00 39.78 39.80 1tw5 n ASN 353 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1tw5 s GLU 354 N -2.21 2.59 0.18 1.20 8.01 -1.26 -3.67 118.70 123.53 1tw5 s GLU 354 Ca 0.22 1.22 -0.33 0.00 0.01 0.00 0.00 54.97 56.09 1tw5 s GLU 354 Cb 0.39 -1.93 -0.14 0.00 -4.31 0.00 0.00 34.13 28.13 1tw5 s GLU 354 CO -0.05 -1.39 1.48 -2.30 0.01 0.00 0.00 175.26 173.00 1tw5 n PRO 355 N -3.00 1.94 -2.66 0.39 -0.02 -1.26 -0.93 135.00 129.45 1tw5 n PRO 355 Ca 0.09 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1tw5 n PRO 355 Cb 0.53 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1tw5 n PRO 355 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1tw5 s ASN 356 N 0.63 6.81 0.12 2.55 3.84 0.42 -4.74 114.94 124.58 1tw5 s ASN 356 Ca 0.76 0.83 0.16 0.00 0.21 0.00 0.00 52.86 54.82 1tw5 s ASN 356 Cb -0.71 -2.53 0.71 0.00 -0.55 0.00 0.00 41.25 38.17 1tw5 s ASN 356 CO 0.43 -0.96 1.50 -0.81 -2.79 0.00 0.00 177.10 174.47 1tw5 n PRO 357 N 7.08 0.08 0.00 0.43 -0.04 -1.26 -2.33 135.00 138.95 1tw5 n PRO 357 Ca 0.11 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1tw5 n PRO 357 Cb 0.48 -1.67 0.22 0.00 -0.04 0.00 0.00 33.50 32.49 1tw5 n PRO 357 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1tw5 n GLN 358 N -1.82 0.67 -0.23 0.54 6.02 -1.26 -4.51 117.38 116.79 1tw5 n GLN 358 Ca 0.02 -0.45 0.01 0.00 -0.01 0.00 0.00 57.00 56.56 1tw5 n GLN 358 Cb 0.16 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.05 1tw5 n GLN 358 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1tw5 h ARG 359 N 1.11 0.51 -0.56 -1.09 0.11 -1.78 -0.63 114.38 112.06 1tw5 h ARG 359 Ca 0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1tw5 h ARG 359 Cb 0.56 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 1tw5 h ARG 359 CO 0.00 0.34 0.20 0.74 0.10 0.00 0.00 179.97 181.35 1tw5 h PHE 360 N 0.52 0.82 0.05 4.08 -1.00 -1.83 -0.69 116.94 118.89 1tw5 h PHE 360 Ca 0.33 -0.05 -0.26 0.00 2.81 0.00 0.00 57.97 60.80 1tw5 h PHE 360 Cb 0.37 -0.25 0.02 0.00 3.61 0.00 0.00 35.95 39.70 1tw5 h PHE 360 CO -0.13 0.65 -1.04 0.22 -1.61 0.00 0.00 178.31 176.40 1tw5 h ASP 361 N 0.80 0.84 -0.82 2.17 -0.00 -1.75 -3.22 116.42 114.44 1tw5 h ASP 361 Ca 0.19 -0.78 -0.02 0.00 -0.00 0.00 0.00 57.03 56.42 1tw5 h ASP 361 Cb 0.19 -0.26 -0.04 0.00 -0.00 0.00 0.00 39.33 39.23 1tw5 h ASP 361 CO -0.01 1.51 0.43 0.03 -0.00 0.00 0.00 179.24 181.20 1tw5 h ARG 362 N 0.26 1.15 0.00 0.28 3.08 -0.71 -2.17 114.38 116.27 1tw5 h ARG 362 Ca -0.14 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1tw5 h ARG 362 Cb 1.71 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1tw5 h ARG 362 CO 0.20 0.86 -0.00 0.82 -1.07 0.00 0.00 179.97 180.78 1tw5 h ILE 363 N 1.14 0.93 0.00 2.04 2.04 -1.21 -2.01 117.51 120.43 1tw5 h ILE 363 Ca 0.29 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1tw5 h ILE 363 Cb 0.05 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1tw5 h ILE 363 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.11 1tw5 h ALA 364 N 2.00 1.00 -0.08 1.87 0.00 -1.40 -3.26 119.26 119.39 1tw5 h ALA 364 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1tw5 h ALA 364 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1tw5 h ALA 364 CO 0.00 0.00 -0.11 0.72 0.00 0.00 0.00 179.25 179.86 1tw5 n HIS 365 N -2.94 0.27 -0.26 0.00 8.25 -0.77 -4.77 115.22 115.00 1tw5 n HIS 365 Ca 0.03 -1.14 0.14 0.00 -0.26 0.00 0.00 57.72 56.48 1tw5 n HIS 365 Cb 0.40 -0.23 0.41 0.00 1.12 0.00 0.00 29.99 31.68 1tw5 n HIS 365 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1tw5 h THR 366 N 0.62 0.79 -0.29 1.59 2.02 -1.57 -1.48 112.91 114.59 1tw5 h THR 366 Ca 0.02 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1tw5 h THR 366 Cb 1.14 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1tw5 h THR 366 CO 0.08 0.11 0.11 0.50 0.37 0.00 0.00 175.52 176.69 1tw5 h LYS 367 N 0.62 0.41 0.00 6.66 3.64 -1.89 0.62 116.57 126.63 1tw5 h LYS 367 Ca 0.46 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.63 1tw5 h LYS 367 Cb 0.83 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1tw5 h LYS 367 CO -0.21 0.35 -1.04 0.93 -2.27 0.00 0.00 179.45 177.21 1tw5 h GLU 368 N 0.41 0.00 0.00 1.90 5.08 -1.66 -3.39 114.58 116.91 1tw5 h GLU 368 Ca 0.10 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1tw5 h GLU 368 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1tw5 h GLU 368 CO -0.01 0.51 -2.13 0.25 -1.00 0.00 0.00 179.01 176.62 1tw5 n THR 369 N -3.11 0.79 -0.28 1.13 -2.24 -0.97 -4.67 114.28 104.94 1tw5 n THR 369 Ca -0.04 -0.66 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1tw5 n THR 369 Cb 0.84 -0.30 0.23 0.00 -2.10 0.00 0.00 70.33 69.00 1tw5 n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tw5 h MET 370 N 0.00 0.40 0.00 -0.78 -0.00 -1.08 0.24 114.93 113.71 1tw5 h MET 370 Ca -0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 1tw5 h MET 370 Cb 1.68 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 1tw5 h MET 370 CO 0.02 0.27 0.00 1.28 -0.00 0.00 0.00 176.91 178.47 1tw5 n LEU 371 N -5.03 0.44 -0.06 -0.10 4.77 -1.26 -3.25 117.00 112.51 1tw5 n LEU 371 Ca 0.17 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.71 1tw5 n LEU 371 Cb 0.50 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1tw5 n LEU 371 CO 0.16 -0.35 -0.93 -1.20 -1.33 0.00 0.00 177.39 173.74 1tw5 n SER 372 N -1.96 0.98 -4.06 -1.43 7.64 -0.16 -4.85 113.62 109.77 1tw5 n SER 372 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 1tw5 n SER 372 Cb 0.26 1.18 -0.14 0.00 -1.01 0.00 0.00 64.21 64.50 1tw5 n SER 372 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tw5 s ASP 373 N -4.71 4.90 0.00 6.43 2.15 -0.11 -4.59 116.67 120.75 1tw5 s ASP 373 Ca -0.08 -2.02 0.00 0.00 0.43 0.00 0.00 52.55 50.88 1tw5 s ASP 373 Cb 0.07 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 1tw5 s ASP 373 CO 0.69 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 1tw5 n GLY 374 N 4.39 -0.80 0.31 2.66 0.00 -1.26 -4.26 105.19 106.24 1tw5 n GLY 374 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1tw5 n GLY 374 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tw5 h LEU 375 N 0.00 0.84 -1.84 0.99 5.85 -1.41 -1.81 115.31 117.92 1tw5 h LEU 375 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1tw5 h LEU 375 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1tw5 h LEU 375 CO 0.00 0.57 0.00 -0.55 -0.34 0.00 0.00 178.44 178.12 1tw5 h ASN 376 N 0.99 0.00 0.00 1.25 -1.07 -1.92 -2.90 115.58 111.93 1tw5 h ASN 376 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.69 1tw5 h ASN 376 Cb 0.06 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.27 1tw5 h ASN 376 CO -0.13 0.00 -0.35 -1.54 0.07 0.00 0.00 177.43 175.48 1tw5 n SER 377 N -2.80 1.67 -4.68 6.14 3.41 -0.75 -5.03 113.62 111.58 1tw5 n SER 377 Ca -0.01 -3.11 -0.42 0.00 -0.26 0.00 0.00 58.87 55.07 1tw5 n SER 377 Cb 0.17 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1tw5 n SER 377 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1tw5 s LEU 378 N -2.31 4.21 -0.01 1.04 2.96 -0.79 -4.81 118.68 118.96 1tw5 s LEU 378 Ca 0.30 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.65 1tw5 s LEU 378 Cb 0.29 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 1tw5 s LEU 378 CO -0.03 -0.47 -0.08 0.42 -1.32 0.00 0.00 176.35 174.87 1tw5 s THR 379 N 2.23 0.67 0.07 3.68 -4.23 -1.26 -5.07 115.64 111.73 1tw5 s THR 379 Ca 0.45 -0.35 -0.27 0.00 -1.18 0.00 0.00 61.69 60.34 1tw5 s THR 379 Cb -0.17 -0.58 0.09 0.00 1.34 0.00 0.00 72.50 73.18 1tw5 s THR 379 CO 0.15 0.20 1.13 -0.72 -0.54 0.00 0.00 174.62 174.83 1tw5 s TYR 380 N -0.09 -0.07 -0.13 3.99 -0.85 -1.26 -4.81 117.35 114.14 1tw5 s TYR 380 Ca 0.02 -0.15 -0.00 0.00 -0.52 0.00 0.00 57.07 56.42 1tw5 s TYR 380 Cb -0.05 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.92 1tw5 s TYR 380 CO -0.00 -0.56 -0.10 -1.64 -1.52 0.00 0.00 175.55 171.73 1tw5 s MET 381 N -2.76 1.78 -0.19 -3.49 -1.94 -0.50 -4.98 119.30 107.22 1tw5 s MET 381 Ca 0.14 -0.36 -0.29 0.00 -1.71 0.00 0.00 55.69 53.48 1tw5 s MET 381 Cb 0.01 -1.76 -0.00 0.00 2.01 0.00 0.00 34.83 35.09 1tw5 s MET 381 CO -0.00 -0.26 1.15 0.08 -0.01 0.00 0.00 175.02 175.98 1tw5 s VAL 382 N 1.64 4.47 -0.13 -6.03 1.01 -1.26 -0.60 120.40 119.50 1tw5 s VAL 382 Ca 0.05 1.78 0.19 0.00 0.00 0.00 0.00 61.98 64.00 1tw5 s VAL 382 Cb -0.13 -4.15 -0.26 0.00 0.00 0.00 0.00 36.38 31.84 1tw5 s VAL 382 CO -0.09 -0.15 0.33 0.18 0.00 0.00 0.00 175.10 175.37 1tw5 n LEU 383 N 6.37 0.14 -3.61 3.92 4.77 0.07 -4.97 117.00 123.69 1tw5 n LEU 383 Ca 0.13 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1tw5 n LEU 383 Cb 0.46 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 1tw5 n LEU 383 CO 0.54 0.28 0.64 -0.70 -1.33 0.00 0.00 177.39 176.82 1tw5 s GLU 384 N -2.90 0.67 -0.06 3.23 2.12 -1.19 -5.01 118.70 115.55 1tw5 s GLU 384 Ca -0.08 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.81 1tw5 s GLU 384 Cb 0.09 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.82 1tw5 s GLU 384 CO 0.85 -0.13 -0.10 0.08 -0.54 0.00 0.00 175.26 175.42 1tw5 s VAL 385 N -0.22 1.00 -0.08 3.70 1.01 -1.26 -1.11 120.40 123.43 1tw5 s VAL 385 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1tw5 s VAL 385 Cb -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1tw5 s VAL 385 CO -0.01 0.33 -0.01 -1.10 0.00 0.00 0.00 175.10 174.31 1tw5 s GLN 386 N 0.77 0.80 -0.34 2.72 -0.21 -0.58 -5.01 119.66 117.80 1tw5 s GLN 386 Ca -0.13 0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.10 1tw5 s GLN 386 Cb -0.15 -1.14 -0.01 0.00 1.00 0.00 0.00 33.01 32.71 1tw5 s GLN 386 CO 0.02 -0.31 0.43 1.03 -2.12 0.00 0.00 175.29 174.35 1tw5 s ARG 387 N 1.91 3.60 0.45 2.91 0.52 -1.26 -1.23 118.95 125.85 1tw5 s ARG 387 Ca 0.05 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.04 1tw5 s ARG 387 Cb -0.12 -3.80 0.01 0.00 0.52 0.00 0.00 34.95 31.56 1tw5 s ARG 387 CO -0.06 -0.58 0.61 0.71 0.02 0.00 0.00 175.30 176.01 1tw5 s TYR 388 N 2.20 2.85 0.42 -0.53 1.51 -0.11 -4.70 117.35 118.99 1tw5 s TYR 388 Ca 0.15 -0.28 0.16 0.00 -1.01 0.00 0.00 57.07 56.09 1tw5 s TYR 388 Cb -0.16 -2.44 0.99 0.00 -0.11 0.00 0.00 41.96 40.24 1tw5 s TYR 388 CO 0.12 -0.50 1.95 -1.00 -1.11 0.00 0.00 175.55 175.02 1tw5 h PRO 389 N 0.52 0.00 -0.01 -1.71 0.13 -1.93 0.88 132.00 129.88 1tw5 h PRO 389 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1tw5 h PRO 389 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1tw5 h PRO 389 CO 0.47 0.23 -0.48 1.28 -0.23 0.00 0.00 178.00 179.27 1tw5 n LEU 390 N -4.13 1.74 -3.61 1.56 4.77 -1.26 -2.38 117.00 113.69 1tw5 n LEU 390 Ca -0.02 -0.73 -0.03 0.00 -0.03 0.00 0.00 56.01 55.20 1tw5 n LEU 390 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1tw5 n LEU 390 CO 0.36 0.33 1.05 -0.72 -1.33 0.00 0.00 177.39 177.08 1tw5 s TYR 391 N -2.30 -0.10 -0.19 -1.77 -0.85 -1.21 -4.05 117.35 106.88 1tw5 s TYR 391 Ca 0.15 0.05 -0.07 0.00 -0.52 0.00 0.00 57.07 56.68 1tw5 s TYR 391 Cb 0.16 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1tw5 s TYR 391 CO 0.54 -0.17 0.05 0.99 -1.52 0.00 0.00 175.55 175.44 1tw5 s THR 392 N -2.34 4.60 -0.22 -3.49 2.01 -0.56 -0.93 115.64 114.71 1tw5 s THR 392 Ca 0.10 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1tw5 s THR 392 Cb -0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1tw5 s THR 392 CO -0.04 0.44 0.04 -0.75 -0.69 0.00 0.00 174.62 173.61 1tw5 s LYS 393 N 0.62 3.65 -0.24 4.92 2.20 -0.36 -0.95 119.74 129.59 1tw5 s LYS 393 Ca 0.03 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1tw5 s LYS 393 Cb -0.13 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1tw5 s LYS 393 CO 0.02 -0.07 -0.09 0.42 -0.36 0.00 0.00 175.35 175.27 1tw5 s ILE 394 N 1.26 2.68 -0.06 5.43 1.01 -0.44 -1.52 121.20 129.55 1tw5 s ILE 394 Ca 0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 1tw5 s ILE 394 Cb -0.15 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1tw5 s ILE 394 CO 0.02 0.22 0.46 -0.89 0.00 0.00 0.00 174.94 174.75 1tw5 s THR 395 N 1.29 5.10 0.01 2.92 2.01 -0.27 -0.57 115.64 126.13 1tw5 s THR 395 Ca -0.00 0.94 -0.06 0.00 0.31 0.00 0.00 61.69 62.88 1tw5 s THR 395 Cb -0.17 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1tw5 s THR 395 CO -0.06 0.43 0.10 0.68 -0.69 0.00 0.00 174.62 175.08 1tw5 s VAL 396 N -0.06 0.10 -0.44 3.82 -7.23 0.68 -0.75 120.40 116.51 1tw5 s VAL 396 Ca 0.25 -0.80 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 1tw5 s VAL 396 Cb -0.16 -0.47 0.05 0.00 0.56 0.00 0.00 36.38 36.36 1tw5 s VAL 396 CO 0.12 -0.44 0.34 -0.62 -0.31 0.00 0.00 175.10 174.19 1tw5 s ASP 397 N -1.52 6.07 -0.31 4.85 -1.08 0.23 -0.53 116.67 124.39 1tw5 s ASP 397 Ca -0.14 -1.16 0.10 0.00 -0.52 0.00 0.00 52.55 50.84 1tw5 s ASP 397 Cb -0.07 -2.15 0.63 0.00 -1.46 0.00 0.00 42.92 39.87 1tw5 s ASP 397 CO 0.00 -0.55 1.66 2.30 0.52 0.00 0.00 175.17 179.10 1tw5 n ILE 398 N 5.15 2.75 -4.57 4.11 -5.35 -1.26 -1.41 119.36 118.78 1tw5 n ILE 398 Ca -0.12 -2.03 0.00 0.00 -0.27 0.00 0.00 62.75 60.34 1tw5 n ILE 398 Cb 0.45 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1tw5 n ILE 398 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tw5 n GLY 399 N -0.64 -0.57 3.35 3.28 0.00 -1.26 -4.96 105.19 104.39 1tw5 n GLY 399 Ca 0.38 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 1tw5 n GLY 399 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tw5 s THR 400 N 0.00 1.70 1.20 2.61 -4.23 -1.26 -4.97 115.64 110.69 1tw5 s THR 400 Ca 0.00 -2.20 -0.14 0.00 -1.18 0.00 0.00 61.69 58.18 1tw5 s THR 400 Cb 0.00 -2.10 0.28 0.00 1.34 0.00 0.00 72.50 72.03 1tw5 s THR 400 CO 0.00 -0.56 0.89 -0.81 -0.54 0.00 0.00 174.62 173.60 1tw5 n PRO 401 N -0.40 -2.58 -0.90 3.99 -0.04 -1.26 -5.16 135.00 128.66 1tw5 n PRO 401 Ca -0.08 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1tw5 n PRO 401 Cb 0.61 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1tw5 n PRO 401 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89