#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr8 n ALA 133 N 0.00 0.00 -1.77 6.98 0.00 -1.26 -4.71 120.51 119.75 1fr8 n ALA 133 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1fr8 n ALA 133 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1fr8 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fr8 s PRO 135 N -2.17 3.52 0.16 0.00 0.04 -1.26 -4.94 135.00 130.35 1fr8 s PRO 135 Ca 0.55 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1fr8 s PRO 135 Cb -0.30 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1fr8 s PRO 135 CO 0.38 -0.66 1.54 1.49 0.04 0.00 0.00 177.00 179.80 1fr8 h GLU 136 N 1.00 -0.09 -6.14 4.56 4.57 -2.03 -3.40 114.58 113.05 1fr8 h GLU 136 Ca -0.48 0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.16 1fr8 h GLU 136 Cb 1.23 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.76 1fr8 h GLU 136 CO 0.58 -0.06 -0.57 -2.00 -1.18 0.00 0.00 179.01 175.78 1fr8 s GLU 137 N -5.58 2.41 -0.12 1.92 2.12 -1.26 -5.12 118.70 113.06 1fr8 s GLU 137 Ca -0.13 -1.45 -0.10 0.00 0.36 0.00 0.00 54.97 53.66 1fr8 s GLU 137 Cb 0.11 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.24 1fr8 s GLU 137 CO 0.63 0.23 0.20 0.45 -0.54 0.00 0.00 175.26 176.23 1fr8 s SER 138 N -3.79 6.43 0.38 -1.70 0.15 -1.26 -4.99 113.70 108.92 1fr8 s SER 138 Ca 0.35 0.51 0.07 0.00 0.70 0.00 0.00 55.95 57.58 1fr8 s SER 138 Cb -0.04 -2.12 0.76 0.00 -1.71 0.00 0.00 66.02 62.90 1fr8 s SER 138 CO 0.22 0.30 1.94 -0.65 1.20 0.00 0.00 173.24 176.25 1fr8 h PRO 139 N 5.54 0.39 0.00 5.44 0.11 -1.95 -2.87 132.00 138.66 1fr8 h PRO 139 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1fr8 h PRO 139 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fr8 h PRO 139 CO 0.65 0.42 0.00 1.28 -0.21 0.00 0.00 178.00 180.13 1fr8 n LEU 140 N -4.33 0.00 -4.68 2.35 4.77 -1.26 -4.84 117.00 109.00 1fr8 n LEU 140 Ca 0.01 0.38 -0.48 0.00 -0.03 0.00 0.00 56.01 55.88 1fr8 n LEU 140 Cb 0.21 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1fr8 n LEU 140 CO 0.38 -0.16 1.46 0.18 -1.33 0.00 0.00 177.39 177.91 1fr8 n LEU 141 N -1.38 3.38 0.01 2.23 4.32 -1.09 -4.87 117.00 119.61 1fr8 n LEU 141 Ca 0.06 0.99 0.12 0.00 -0.02 0.00 0.00 56.01 57.16 1fr8 n LEU 141 Cb 0.16 -1.37 0.15 0.00 -1.62 0.00 0.00 43.42 40.74 1fr8 n LEU 141 CO 0.14 -0.09 0.29 0.52 -1.22 0.00 0.00 177.39 177.03 1fr8 n VAL 142 N 4.95 0.08 -4.52 4.08 0.31 -1.26 -5.07 118.33 116.90 1fr8 n VAL 142 Ca 0.22 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1fr8 n VAL 142 Cb 0.29 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1fr8 n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr8 n GLY 143 N 1.45 1.72 3.62 2.92 0.00 -1.26 -4.80 105.19 108.84 1fr8 n GLY 143 Ca 0.04 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 1fr8 n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fr8 n PRO 144 N 12.93 1.56 -4.23 1.61 -0.02 -1.26 -2.84 135.00 142.75 1fr8 n PRO 144 Ca 0.00 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1fr8 n PRO 144 Cb 0.00 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1fr8 n PRO 144 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1fr8 s MET 145 N -1.70 1.00 -0.22 -0.52 -1.94 0.03 -4.94 119.30 111.01 1fr8 s MET 145 Ca 0.58 -1.43 -0.16 0.00 -1.71 0.00 0.00 55.69 52.97 1fr8 s MET 145 Cb -0.65 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 1fr8 s MET 145 CO 0.60 0.02 0.42 -1.17 -0.01 0.00 0.00 175.02 174.88 1fr8 s LEU 146 N -3.13 4.11 -0.20 -0.03 2.96 -1.26 -4.83 118.68 116.29 1fr8 s LEU 146 Ca 0.16 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1fr8 s LEU 146 Cb 0.04 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.24 1fr8 s LEU 146 CO -0.01 -0.14 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.13 1fr8 s ILE 147 N 1.63 1.84 0.08 6.68 -1.09 -1.26 -5.11 121.20 123.97 1fr8 s ILE 147 Ca 0.19 -1.10 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1fr8 s ILE 147 Cb -0.15 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1fr8 s ILE 147 CO 0.09 0.23 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.35 1fr8 s GLU 148 N 1.32 0.71 -0.12 2.79 2.02 -1.26 -5.07 118.70 119.09 1fr8 s GLU 148 Ca -0.01 -1.10 0.15 0.00 0.02 0.00 0.00 54.97 54.03 1fr8 s GLU 148 Cb -0.16 -0.25 0.33 0.00 0.10 0.00 0.00 34.13 34.15 1fr8 s GLU 148 CO -0.09 0.01 1.16 1.19 0.02 0.00 0.00 175.26 177.56 1fr8 n PHE 149 N 0.59 0.00 0.82 1.61 3.01 -1.26 -4.70 117.46 117.52 1fr8 n PHE 149 Ca -0.17 -0.98 0.12 0.00 1.01 0.00 0.00 57.45 57.43 1fr8 n PHE 149 Cb 0.58 -0.18 0.13 0.00 -0.01 0.00 0.00 39.48 40.01 1fr8 n PHE 149 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1fr8 n ASN 150 N -0.74 0.62 -4.33 4.37 2.04 -1.26 -4.65 115.26 111.30 1fr8 n ASN 150 Ca 0.13 -0.26 -0.47 0.00 -0.44 0.00 0.00 54.58 53.54 1fr8 n ASN 150 Cb 0.77 0.47 -0.02 0.00 -2.53 0.00 0.00 39.78 38.47 1fr8 n ASN 150 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 1fr8 s ILE 151 N -3.08 5.64 0.70 1.53 -5.25 -1.26 -5.06 121.20 114.42 1fr8 s ILE 151 Ca 0.08 -2.55 -0.17 0.00 -0.99 0.00 0.00 60.65 57.03 1fr8 s ILE 151 Cb 0.16 -4.49 -0.06 0.00 2.95 0.00 0.00 42.46 41.02 1fr8 s ILE 151 CO 0.75 -1.05 0.37 -2.65 -1.79 0.00 0.00 174.94 170.56 1fr8 n PRO 152 N 3.90 0.26 -4.40 0.37 -0.02 -1.26 -4.98 135.00 128.86 1fr8 n PRO 152 Ca 0.15 0.12 -0.20 0.00 -2.02 0.00 0.00 63.50 61.55 1fr8 n PRO 152 Cb 0.46 -1.67 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1fr8 n PRO 152 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fr8 s VAL 153 N -1.91 1.62 -0.10 -1.45 -7.23 -1.26 -5.14 120.40 104.93 1fr8 s VAL 153 Ca 0.63 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1fr8 s VAL 153 Cb -0.36 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1fr8 s VAL 153 CO 0.60 -0.37 -0.21 -0.62 -0.31 0.00 0.00 175.10 174.20 1fr8 s ASP 154 N -3.41 2.84 0.43 4.85 -1.08 -1.26 -5.01 116.67 114.03 1fr8 s ASP 154 Ca 0.28 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.93 1fr8 s ASP 154 Cb 0.03 -1.30 0.92 0.00 -1.46 0.00 0.00 42.92 41.11 1fr8 s ASP 154 CO 0.11 0.11 1.94 -0.07 0.52 0.00 0.00 175.17 177.78 1fr8 h LEU 155 N 6.93 0.00 -1.44 -1.34 3.38 -1.99 -0.90 115.31 119.94 1fr8 h LEU 155 Ca -0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1fr8 h LEU 155 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1fr8 h LEU 155 CO 0.49 0.24 0.38 0.11 0.09 0.00 0.00 178.44 179.74 1fr8 h LYS 156 N 0.00 0.74 0.11 1.13 1.79 -1.99 0.12 116.57 118.48 1fr8 h LYS 156 Ca -0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1fr8 h LYS 156 Cb 0.42 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1fr8 h LYS 156 CO 0.03 0.49 -0.06 1.25 -1.08 0.00 0.00 179.45 180.09 1fr8 h LEU 157 N 0.76 -0.13 -1.22 2.94 5.85 -1.60 -1.48 115.31 120.44 1fr8 h LEU 157 Ca 0.21 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1fr8 h LEU 157 Cb -0.07 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1fr8 h LEU 157 CO -0.05 0.25 0.56 0.58 -0.34 0.00 0.00 178.44 179.44 1fr8 h VAL 158 N -0.53 1.03 0.33 1.05 2.07 -0.97 0.90 116.25 120.13 1fr8 h VAL 158 Ca -0.02 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1fr8 h VAL 158 Cb 0.43 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1fr8 h VAL 158 CO 0.03 0.17 -0.18 -0.33 0.02 0.00 0.00 177.57 177.27 1fr8 h GLU 159 N 0.92 -0.47 -0.32 1.57 5.08 -0.71 0.41 114.58 121.07 1fr8 h GLU 159 Ca 0.37 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1fr8 h GLU 159 Cb 0.26 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 1fr8 h GLU 159 CO -0.14 -0.31 -0.16 0.37 -1.00 0.00 0.00 179.01 177.77 1fr8 h GLN 160 N -0.48 -0.10 0.00 2.33 5.75 0.13 -1.97 115.11 120.76 1fr8 h GLN 160 Ca -0.04 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1fr8 h GLN 160 Cb 0.39 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1fr8 h GLN 160 CO 0.05 -0.07 0.00 1.96 -2.65 0.00 0.00 178.83 178.12 1fr8 h GLN 161 N -0.11 0.00 -2.19 1.69 4.20 0.93 -3.32 115.11 116.32 1fr8 h GLN 161 Ca 0.16 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.28 1fr8 h GLN 161 Cb 0.36 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.72 1fr8 h GLN 161 CO -0.39 0.00 -0.65 0.09 -0.67 0.00 0.00 178.83 177.21 1fr8 n ASN 162 N -2.54 3.56 -0.34 1.46 3.02 0.11 -4.96 115.26 115.58 1fr8 n ASN 162 Ca 0.03 -3.42 -0.01 0.00 -0.03 0.00 0.00 54.58 51.14 1fr8 n ASN 162 Cb 0.32 -0.65 0.15 0.00 -0.61 0.00 0.00 39.78 38.99 1fr8 n ASN 162 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fr8 h PRO 163 N 3.92 1.23 0.00 3.52 0.13 -1.65 -3.07 132.00 136.08 1fr8 h PRO 163 Ca 0.17 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1fr8 h PRO 163 Cb 0.65 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1fr8 h PRO 163 CO 0.80 0.81 0.00 1.63 -0.23 0.00 0.00 178.00 181.01 1fr8 n LYS 164 N -4.40 0.08 -2.52 0.86 5.02 -1.26 -4.65 118.16 111.29 1fr8 n LYS 164 Ca 0.11 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1fr8 n LYS 164 Cb 0.02 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1fr8 n LYS 164 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fr8 s VAL 165 N -2.81 3.74 1.31 -0.18 1.01 -1.16 -4.76 120.40 117.55 1fr8 s VAL 165 Ca 0.09 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1fr8 s VAL 165 Cb 0.08 -4.89 0.33 0.00 0.00 0.00 0.00 36.38 31.90 1fr8 s VAL 165 CO 0.21 -1.82 0.98 -0.54 0.00 0.00 0.00 175.10 173.92 1fr8 s LYS 166 N 5.66 -2.07 0.53 2.72 1.02 0.24 -4.79 119.74 123.06 1fr8 s LYS 166 Ca 0.39 0.34 -0.19 0.00 0.02 0.00 0.00 55.97 56.53 1fr8 s LYS 166 Cb -0.07 -1.46 -0.10 0.00 -0.52 0.00 0.00 37.83 35.68 1fr8 s LYS 166 CO 0.10 -4.36 0.43 -0.11 -0.92 0.00 0.00 175.35 170.49 1fr8 n LEU 167 N -5.29 -0.08 0.00 3.17 0.00 -1.26 -2.63 117.00 110.91 1fr8 n LEU 167 Ca 0.09 0.76 0.00 0.00 0.00 0.00 0.00 56.01 56.86 1fr8 n LEU 167 Cb 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1fr8 n LEU 167 CO 0.48 -3.29 0.00 0.61 0.00 0.00 0.00 177.39 175.19 1fr8 n GLY 168 N 1.89 0.16 1.44 -3.96 0.00 0.27 -3.10 105.19 101.89 1fr8 n GLY 168 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1fr8 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr8 n GLY 169 N -0.27 0.80 3.88 -0.02 0.00 -1.01 -1.66 105.19 106.91 1fr8 n GLY 169 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1fr8 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fr8 s ARG 170 N -3.45 3.45 -0.17 1.61 1.81 -1.12 -2.15 118.95 118.93 1fr8 s ARG 170 Ca 0.00 -0.14 -0.09 0.00 -1.72 0.00 0.00 55.73 53.78 1fr8 s ARG 170 Cb 0.00 -3.18 0.06 0.00 -0.45 0.00 0.00 34.95 31.38 1fr8 s ARG 170 CO 0.00 0.76 0.41 -0.47 -0.68 0.00 0.00 175.30 175.32 1fr8 s TYR 171 N -1.07 -0.60 -0.06 -0.53 5.04 -0.40 -0.59 117.35 119.14 1fr8 s TYR 171 Ca 0.17 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1fr8 s TYR 171 Cb -0.12 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.46 1fr8 s TYR 171 CO 0.06 -0.34 -0.14 0.99 -1.34 0.00 0.00 175.55 174.78 1fr8 s THR 172 N 1.40 1.24 0.17 4.34 2.01 -1.26 -0.72 115.64 122.81 1fr8 s THR 172 Ca -0.10 -0.57 -0.33 0.00 0.31 0.00 0.00 61.69 61.00 1fr8 s THR 172 Cb -0.08 -1.10 -0.14 0.00 0.01 0.00 0.00 72.50 71.19 1fr8 s THR 172 CO -0.13 0.37 1.50 -2.65 -0.69 0.00 0.00 174.62 173.02 1fr8 n PRO 173 N 3.53 1.99 -0.02 4.92 -0.02 -1.26 -4.88 135.00 139.25 1fr8 n PRO 173 Ca -0.21 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1fr8 n PRO 173 Cb 0.52 -2.43 0.37 0.00 -0.02 0.00 0.00 33.50 31.94 1fr8 n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fr8 n MET 174 N 2.90 1.91 0.00 -0.52 0.00 -1.26 -4.60 117.12 115.55 1fr8 n MET 174 Ca 0.16 -1.34 -0.00 0.00 0.00 0.00 0.00 57.70 56.52 1fr8 n MET 174 Cb 0.28 -1.47 -0.00 0.00 0.00 0.00 0.00 33.22 32.04 1fr8 n MET 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1fr8 n ASP 175 N 0.61 0.06 -4.90 3.17 9.92 -1.26 -5.08 116.55 119.07 1fr8 n ASP 175 Ca 0.17 0.01 -0.29 0.00 -0.53 0.00 0.00 54.79 54.15 1fr8 n ASP 175 Cb 0.44 -0.13 0.06 0.00 -0.64 0.00 0.00 41.12 40.85 1fr8 n ASP 175 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fr8 s ILE 177 N -3.36 3.90 0.07 0.00 -1.09 -1.26 -4.63 121.20 114.83 1fr8 s ILE 177 Ca 0.59 -1.16 -0.26 0.00 -2.23 0.00 0.00 60.65 57.59 1fr8 s ILE 177 Cb -0.11 -3.24 -0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1fr8 s ILE 177 CO 0.49 -0.23 0.81 -0.55 -1.23 0.00 0.00 174.94 174.22 1fr8 s SER 178 N 1.51 7.29 0.08 3.58 0.15 -1.26 -0.83 113.70 124.21 1fr8 s SER 178 Ca -0.01 1.54 0.27 0.00 0.70 0.00 0.00 55.95 58.45 1fr8 s SER 178 Cb -0.20 -2.50 0.92 0.00 -1.71 0.00 0.00 66.02 62.53 1fr8 s SER 178 CO 0.03 0.02 1.75 -0.81 1.20 0.00 0.00 173.24 175.44 1fr8 n PRO 179 N 2.66 0.11 -3.16 5.44 -0.04 -1.26 -4.69 135.00 134.06 1fr8 n PRO 179 Ca -0.02 0.08 -0.45 0.00 -0.04 0.00 0.00 63.50 63.07 1fr8 n PRO 179 Cb 0.50 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1fr8 n PRO 179 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fr8 s HIS 180 N -3.05 3.22 -0.79 0.54 3.76 -1.26 -4.99 115.29 112.72 1fr8 s HIS 180 Ca 0.12 -1.29 -0.17 0.00 -0.15 0.00 0.00 55.06 53.57 1fr8 s HIS 180 Cb 0.16 -3.98 0.16 0.00 1.11 0.00 0.00 32.58 30.03 1fr8 s HIS 180 CO 0.59 -1.22 0.86 0.15 -0.85 0.00 0.00 174.74 174.27 1fr8 s LYS 181 N 1.99 3.44 -0.16 1.40 1.02 -1.26 -2.45 119.74 123.72 1fr8 s LYS 181 Ca 0.15 -1.93 -0.07 0.00 0.02 0.00 0.00 55.97 54.13 1fr8 s LYS 181 Cb -0.19 -4.54 -0.04 0.00 -0.52 0.00 0.00 37.83 32.54 1fr8 s LYS 181 CO 0.00 -1.51 0.08 0.08 -0.92 0.00 0.00 175.35 173.09 1fr8 s VAL 182 N 1.63 5.00 -0.20 3.17 1.01 -0.51 -1.44 120.40 129.06 1fr8 s VAL 182 Ca 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1fr8 s VAL 182 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1fr8 s VAL 182 CO -0.05 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 1fr8 s ALA 183 N -0.12 2.74 -0.22 5.51 0.00 -0.70 -1.99 121.76 126.98 1fr8 s ALA 183 Ca 0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1fr8 s ALA 183 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1fr8 s ALA 183 CO 0.01 -0.26 0.32 0.42 0.00 0.00 0.00 175.76 176.25 1fr8 s ILE 184 N 1.19 5.25 -0.17 0.00 1.09 -0.51 -1.45 121.20 126.60 1fr8 s ILE 184 Ca 0.02 0.53 -0.05 0.00 -1.10 0.00 0.00 60.65 60.05 1fr8 s ILE 184 Cb -0.14 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1fr8 s ILE 184 CO -0.02 0.27 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.45 1fr8 s ILE 185 N 1.33 4.10 -0.20 2.92 -1.09 0.10 -1.23 121.20 127.12 1fr8 s ILE 185 Ca 0.15 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1fr8 s ILE 185 Cb -0.14 -2.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1fr8 s ILE 185 CO 0.07 0.48 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.50 1fr8 s ILE 186 N 0.46 1.82 0.23 2.92 1.01 -0.30 -1.36 121.20 125.98 1fr8 s ILE 186 Ca -0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1fr8 s ILE 186 Cb -0.14 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 1fr8 s ILE 186 CO 0.02 0.23 1.31 -2.16 0.00 0.00 0.00 174.94 174.34 1fr8 s PRO 187 N 1.33 4.39 0.00 2.79 0.04 -1.26 -1.18 135.00 141.11 1fr8 s PRO 187 Ca -0.01 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1fr8 s PRO 187 Cb -0.16 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 1fr8 s PRO 187 CO -0.09 -0.23 0.08 0.12 0.04 0.00 0.00 177.00 176.93 1fr8 s PHE 188 N -0.21 0.09 0.00 0.56 5.36 0.77 -4.54 117.98 120.00 1fr8 s PHE 188 Ca 0.55 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1fr8 s PHE 188 Cb -0.37 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1fr8 s PHE 188 CO 0.42 -0.23 0.00 -2.13 -1.46 0.00 0.00 175.22 171.82 1fr8 n ARG 189 N 1.70 0.00 -3.37 10.12 3.00 -1.26 -1.31 116.66 125.54 1fr8 n ARG 189 Ca -0.22 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.46 1fr8 n ARG 189 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.09 1fr8 n ARG 189 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1fr8 n ASN 190 N 0.00 -4.96 -2.74 6.15 4.05 -1.26 -4.95 115.26 111.54 1fr8 n ASN 190 Ca 0.00 -0.73 -0.04 0.00 0.45 0.00 0.00 54.58 54.27 1fr8 n ASN 190 Cb 0.00 -4.93 0.06 0.00 1.23 0.00 0.00 39.78 36.14 1fr8 n ASN 190 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1fr8 n ARG 191 N -3.62 1.43 -0.12 1.20 5.12 -1.26 -4.93 116.66 114.47 1fr8 n ARG 191 Ca -0.14 -2.87 -0.02 0.00 -1.93 0.00 0.00 57.85 52.89 1fr8 n ARG 191 Cb 0.63 -0.99 0.22 0.00 -1.16 0.00 0.00 32.46 31.16 1fr8 n ARG 191 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1fr8 h GLN 192 N 2.40 0.81 0.03 5.56 5.75 -1.99 -1.65 115.11 126.01 1fr8 h GLN 192 Ca -0.19 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1fr8 h GLN 192 Cb 1.25 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1fr8 h GLN 192 CO 0.19 0.70 -0.01 0.93 -2.65 0.00 0.00 178.83 177.99 1fr8 h GLU 193 N 0.79 -0.03 -0.88 1.69 4.39 -2.01 -2.26 114.58 116.27 1fr8 h GLU 193 Ca 0.18 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.95 1fr8 h GLU 193 Cb 0.22 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 1fr8 h GLU 193 CO -0.01 0.09 0.55 0.45 -1.16 0.00 0.00 179.01 178.93 1fr8 h HIS 194 N -0.15 1.01 -0.81 4.33 3.86 -1.86 -1.89 115.15 119.65 1fr8 h HIS 194 Ca -0.00 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1fr8 h HIS 194 Cb 0.14 -0.33 -0.07 0.00 1.06 0.00 0.00 27.41 28.22 1fr8 h HIS 194 CO -0.04 0.50 0.48 1.25 0.86 0.00 0.00 177.93 180.98 1fr8 h LEU 195 N 0.98 0.71 -0.04 2.43 6.46 -1.11 0.07 115.31 124.81 1fr8 h LEU 195 Ca 0.39 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.20 1fr8 h LEU 195 Cb 0.21 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1fr8 h LEU 195 CO -0.19 0.44 -0.07 0.11 -0.62 0.00 0.00 178.44 178.10 1fr8 h LYS 196 N 0.84 -0.11 -0.65 1.25 1.57 -0.74 0.66 116.57 119.38 1fr8 h LYS 196 Ca 0.37 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.10 1fr8 h LYS 196 Cb 0.26 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1fr8 h LYS 196 CO -0.21 -0.07 0.18 1.88 -0.57 0.00 0.00 179.45 180.66 1fr8 h TYR 197 N -0.11 1.07 0.03 -1.35 -1.99 -1.27 -1.68 116.97 111.67 1fr8 h TYR 197 Ca 0.04 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1fr8 h TYR 197 Cb 0.17 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 1fr8 h TYR 197 CO -0.16 0.88 -0.11 2.35 -0.00 0.00 0.00 178.16 181.12 1fr8 h TRP 198 N 0.95 -0.27 -0.78 4.88 7.01 -0.63 -1.56 115.95 125.55 1fr8 h TRP 198 Ca 0.21 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1fr8 h TRP 198 Cb 0.33 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 1fr8 h TRP 198 CO 0.02 -0.16 0.35 -0.07 -2.79 0.00 0.00 178.44 175.79 1fr8 h LEU 199 N -0.19 1.05 -0.32 0.65 3.38 -0.84 -0.41 115.31 118.63 1fr8 h LEU 199 Ca 0.03 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1fr8 h LEU 199 Cb 0.23 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1fr8 h LEU 199 CO -0.09 0.91 -0.05 0.22 0.09 0.00 0.00 178.44 179.52 1fr8 h TYR 200 N 1.12 -0.11 0.10 1.13 3.20 -0.89 -2.68 116.97 118.83 1fr8 h TYR 200 Ca 0.27 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.02 1fr8 h TYR 200 Cb 0.16 0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1fr8 h TYR 200 CO 0.01 -0.11 -0.63 1.88 -1.64 0.00 0.00 178.16 177.68 1fr8 h TYR 201 N 0.03 0.38 -0.42 -3.82 -1.99 -1.09 -3.40 116.97 106.66 1fr8 h TYR 201 Ca 0.15 -0.28 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 1fr8 h TYR 201 Cb 0.22 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1fr8 h TYR 201 CO -0.27 1.24 -0.03 -0.07 -0.00 0.00 0.00 178.16 179.03 1fr8 h LEU 202 N -0.55 0.75 -0.33 3.88 -0.00 -1.09 -3.11 115.31 114.85 1fr8 h LEU 202 Ca -0.11 -0.33 0.07 0.00 -0.00 0.00 0.00 57.88 57.51 1fr8 h LEU 202 Cb 1.46 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 41.86 1fr8 h LEU 202 CO 0.10 0.89 -0.11 0.45 -0.00 0.00 0.00 178.44 179.77 1fr8 h HIS 203 N 0.58 -0.26 0.20 1.13 3.86 -1.69 0.12 115.15 119.08 1fr8 h HIS 203 Ca 0.11 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1fr8 h HIS 203 Cb 0.53 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1fr8 h HIS 203 CO 0.04 -0.18 -0.31 -1.35 0.86 0.00 0.00 177.93 176.99 1fr8 h PRO 204 N -0.05 -0.56 -0.58 2.45 0.11 -1.77 -2.62 132.00 128.98 1fr8 h PRO 204 Ca 0.16 0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.43 1fr8 h PRO 204 Cb 0.30 0.13 -0.11 0.00 0.11 0.00 0.00 31.00 31.42 1fr8 h PRO 204 CO -0.37 -0.37 -0.15 0.82 -0.21 0.00 0.00 178.00 177.73 1fr8 h ILE 205 N -0.58 0.42 -0.87 4.15 2.04 -1.30 -1.44 117.51 119.92 1fr8 h ILE 205 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1fr8 h ILE 205 Cb 0.57 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1fr8 h ILE 205 CO -0.13 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.47 1fr8 h LEU 206 N -0.00 1.05 -0.67 1.44 3.38 -0.61 -0.68 115.31 119.22 1fr8 h LEU 206 Ca 0.28 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1fr8 h LEU 206 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1fr8 h LEU 206 CO -0.60 0.81 -0.57 1.56 0.09 0.00 0.00 178.44 179.73 1fr8 h GLN 207 N 1.20 0.28 -0.14 1.13 4.20 -1.08 -1.79 115.11 118.91 1fr8 h GLN 207 Ca 0.31 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1fr8 h GLN 207 Cb -0.04 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1fr8 h GLN 207 CO -0.06 0.77 -0.21 0.00 -0.67 0.00 0.00 178.83 178.67 1fr8 h ARG 208 N 0.21 0.23 -0.01 1.46 3.08 -0.67 -0.87 114.38 117.81 1fr8 h ARG 208 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1fr8 h ARG 208 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1fr8 h ARG 208 CO 0.09 0.43 0.00 1.04 -1.07 0.00 0.00 179.97 180.46 1fr8 n GLN 209 N -4.21 1.08 -3.55 0.04 6.02 -0.32 -4.49 117.38 111.96 1fr8 n GLN 209 Ca -0.01 -0.12 -0.26 0.00 -0.01 0.00 0.00 57.00 56.60 1fr8 n GLN 209 Cb 0.32 -1.37 0.05 0.00 1.02 0.00 0.00 30.24 30.26 1fr8 n GLN 209 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fr8 n GLN 210 N -0.73 -1.65 -4.68 -1.09 6.02 -0.33 -4.85 117.38 110.07 1fr8 n GLN 210 Ca 0.17 0.59 -0.33 0.00 -0.01 0.00 0.00 57.00 57.42 1fr8 n GLN 210 Cb 0.11 -4.69 -0.13 0.00 1.02 0.00 0.00 30.24 26.55 1fr8 n GLN 210 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fr8 s LEU 211 N -6.14 2.96 -0.90 1.08 1.43 -1.07 -4.78 118.68 111.26 1fr8 s LEU 211 Ca 0.46 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 1fr8 s LEU 211 Cb -0.13 -1.66 0.08 0.00 0.03 0.00 0.00 46.19 44.51 1fr8 s LEU 211 CO 0.82 0.26 1.24 -0.62 0.23 0.00 0.00 176.35 178.28 1fr8 s ASP 212 N -0.19 6.46 0.36 2.29 -1.08 -1.03 -4.50 116.67 118.98 1fr8 s ASP 212 Ca 0.01 -1.49 0.04 0.00 -0.52 0.00 0.00 52.55 50.60 1fr8 s ASP 212 Cb -0.13 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 1fr8 s ASP 212 CO 0.03 -1.37 0.06 -0.72 0.52 0.00 0.00 175.17 173.69 1fr8 s TYR 213 N 4.09 1.98 -0.01 -5.34 -0.85 0.10 -1.42 117.35 115.90 1fr8 s TYR 213 Ca 0.36 -0.99 -0.07 0.00 -0.52 0.00 0.00 57.07 55.85 1fr8 s TYR 213 Cb -0.05 -1.33 0.01 0.00 0.38 0.00 0.00 41.96 40.96 1fr8 s TYR 213 CO -0.04 0.01 0.15 0.20 -1.52 0.00 0.00 175.55 174.35 1fr8 s GLY 214 N -3.56 0.00 -0.12 5.49 0.00 -0.84 -1.28 107.32 107.02 1fr8 s GLY 214 Ca 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.03 1fr8 s GLY 214 CO 0.15 -0.12 -0.03 -0.42 0.00 0.00 0.00 173.10 172.68 1fr8 s ILE 215 N -1.10 4.02 -0.08 0.90 -1.09 -0.92 -1.42 121.20 121.50 1fr8 s ILE 215 Ca -0.12 -0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1fr8 s ILE 215 Cb -0.06 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1fr8 s ILE 215 CO 0.01 0.55 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.93 1fr8 s TYR 216 N -0.28 1.00 -0.39 3.97 1.51 -0.37 -1.09 117.35 121.70 1fr8 s TYR 216 Ca 0.05 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.64 1fr8 s TYR 216 Cb -0.12 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.84 1fr8 s TYR 216 CO 0.02 -0.38 0.21 0.08 -1.11 0.00 0.00 175.55 174.38 1fr8 s VAL 217 N 1.70 4.10 -0.59 0.71 1.01 0.88 -1.15 120.40 127.06 1fr8 s VAL 217 Ca 0.02 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 1fr8 s VAL 217 Cb -0.13 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1fr8 s VAL 217 CO -0.05 -0.39 0.85 -0.63 0.00 0.00 0.00 175.10 174.88 1fr8 s ILE 218 N 1.42 4.52 -0.29 2.22 -1.09 -0.33 -1.50 121.20 126.15 1fr8 s ILE 218 Ca 0.02 -0.33 -0.18 0.00 -2.23 0.00 0.00 60.65 57.93 1fr8 s ILE 218 Cb -0.22 -4.55 -0.02 0.00 -1.58 0.00 0.00 42.46 36.10 1fr8 s ILE 218 CO 0.02 -1.20 0.53 0.21 -1.23 0.00 0.00 174.94 173.28 1fr8 s ASN 219 N 3.28 6.41 -0.26 3.58 2.47 -0.27 -0.17 114.94 129.98 1fr8 s ASN 219 Ca 0.21 0.37 -0.29 0.00 0.42 0.00 0.00 52.86 53.57 1fr8 s ASN 219 Cb -0.17 -2.29 0.01 0.00 -1.45 0.00 0.00 41.25 37.35 1fr8 s ASN 219 CO 0.12 -0.37 1.05 -1.58 -3.72 0.00 0.00 177.10 172.60 1fr8 s GLN 220 N 2.38 4.20 0.42 0.43 0.74 -0.43 -1.66 119.66 125.75 1fr8 s GLN 220 Ca 0.21 1.27 0.18 0.00 0.05 0.00 0.00 55.36 57.08 1fr8 s GLN 220 Cb -0.15 -3.67 0.96 0.00 1.10 0.00 0.00 33.01 31.24 1fr8 s GLN 220 CO 0.11 -0.71 1.90 0.00 -0.55 0.00 0.00 175.29 176.03 1fr8 h ALA 221 N 7.65 1.31 -3.00 1.58 0.00 -1.58 -3.46 119.26 121.75 1fr8 h ALA 221 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1fr8 h ALA 221 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1fr8 h ALA 221 CO 1.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 181.00 1fr8 n GLY 222 N -0.44 -0.11 1.02 0.00 0.00 -1.26 -4.98 105.19 99.41 1fr8 n GLY 222 Ca -0.02 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1fr8 n GLY 222 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fr8 n GLU 223 N 0.00 0.05 -3.52 1.61 1.02 -1.26 -5.08 120.64 113.46 1fr8 n GLU 223 Ca 0.00 -1.59 -0.23 0.00 -0.02 0.00 0.00 57.16 55.32 1fr8 n GLU 223 Cb 0.00 -0.28 0.01 0.00 -0.02 0.00 0.00 31.44 31.15 1fr8 n GLU 223 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1fr8 s SER 224 N -1.59 4.91 0.05 1.62 1.04 -1.26 -5.04 113.70 113.43 1fr8 s SER 224 Ca 0.19 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 1fr8 s SER 224 Cb 0.22 0.11 -0.16 0.00 0.10 0.00 0.00 66.02 66.28 1fr8 s SER 224 CO -0.09 -1.06 0.75 0.80 0.98 0.00 0.00 173.24 174.63 1fr8 n MET 225 N -1.86 0.00 -2.39 4.02 1.56 -1.26 -4.90 117.12 112.29 1fr8 n MET 225 Ca 0.05 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.12 1fr8 n MET 225 Cb 0.63 -1.12 -0.02 0.00 2.15 0.00 0.00 33.22 34.85 1fr8 n MET 225 CO 0.00 0.00 0.00 0.12 -0.73 0.00 0.00 175.97 175.36 1fr8 s PHE 226 N -0.25 3.00 -0.45 1.12 5.36 -1.26 -4.97 117.98 120.53 1fr8 s PHE 226 Ca 0.69 1.58 0.03 0.00 -0.96 0.00 0.00 56.93 58.26 1fr8 s PHE 226 Cb -0.97 -3.24 0.15 0.00 -0.34 0.00 0.00 43.02 38.62 1fr8 s PHE 226 CO 0.47 -1.13 0.31 1.21 -1.46 0.00 0.00 175.22 174.62 1fr8 s ASN 227 N -1.55 2.92 0.08 6.13 3.84 -1.26 -3.28 114.94 121.82 1fr8 s ASN 227 Ca 0.63 -2.87 -0.34 0.00 0.21 0.00 0.00 52.86 50.49 1fr8 s ASN 227 Cb -0.24 -0.79 -0.17 0.00 -0.55 0.00 0.00 41.25 39.50 1fr8 s ASN 227 CO 0.29 -0.22 1.53 -0.09 -2.79 0.00 0.00 177.10 175.83 1fr8 h ARG 228 N 6.21 -0.96 -0.61 0.43 2.43 -1.92 -2.54 114.38 117.43 1fr8 h ARG 228 Ca 0.12 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.48 1fr8 h ARG 228 Cb 0.90 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 1fr8 h ARG 228 CO 0.43 -0.64 -0.01 0.00 -1.51 0.00 0.00 179.97 178.25 1fr8 h ALA 229 N -1.00 0.58 -0.44 2.80 0.00 -1.87 -0.90 119.26 118.44 1fr8 h ALA 229 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fr8 h ALA 229 Cb 0.85 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1fr8 h ALA 229 CO -0.03 -0.40 0.28 -0.22 0.00 0.00 0.00 179.25 178.89 1fr8 h LYS 230 N 0.11 0.59 -0.56 0.00 3.64 -1.63 -1.36 116.57 117.35 1fr8 h LYS 230 Ca 0.32 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1fr8 h LYS 230 Cb 0.51 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1fr8 h LYS 230 CO -0.53 0.41 0.37 -0.07 -2.27 0.00 0.00 179.45 177.36 1fr8 h LEU 231 N 0.60 0.50 -0.63 5.20 3.38 -0.78 0.18 115.31 123.76 1fr8 h LEU 231 Ca 0.16 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1fr8 h LEU 231 Cb -0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1fr8 h LEU 231 CO -0.03 0.33 0.06 -0.07 0.09 0.00 0.00 178.44 178.82 1fr8 h LEU 232 N 0.57 1.04 -0.51 1.67 3.38 -0.28 -0.89 115.31 120.29 1fr8 h LEU 232 Ca 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1fr8 h LEU 232 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1fr8 h LEU 232 CO -0.07 1.06 0.28 0.78 0.09 0.00 0.00 178.44 180.59 1fr8 h ASN 233 N 0.98 0.63 -0.81 -0.43 2.35 -0.00 -1.91 115.58 116.39 1fr8 h ASN 233 Ca 0.19 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1fr8 h ASN 233 Cb 0.49 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1fr8 h ASN 233 CO 0.02 0.53 0.51 0.58 -1.65 0.00 0.00 177.43 177.42 1fr8 h VAL 234 N 0.67 1.11 -0.27 2.81 2.07 -0.71 -1.85 116.25 120.09 1fr8 h VAL 234 Ca 0.18 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1fr8 h VAL 234 Cb 0.03 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 1fr8 h VAL 234 CO -0.03 0.18 0.13 1.23 0.02 0.00 0.00 177.57 179.11 1fr8 h GLY 235 N 0.99 0.36 0.22 2.17 0.00 -0.57 0.15 103.07 106.38 1fr8 h GLY 235 Ca 0.33 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.63 1fr8 h GLY 235 CO -0.12 0.08 -0.14 -2.75 0.00 0.00 0.00 176.54 173.60 1fr8 h PHE 236 N 0.28 -0.35 -0.44 5.60 3.57 -0.81 0.14 116.94 124.94 1fr8 h PHE 236 Ca 0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1fr8 h PHE 236 Cb 0.03 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1fr8 h PHE 236 CO -0.10 -0.22 0.02 0.87 -2.23 0.00 0.00 178.31 176.65 1fr8 h LYS 237 N -0.09 0.77 -0.37 1.11 1.57 -0.93 -2.95 116.57 115.69 1fr8 h LYS 237 Ca 0.17 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1fr8 h LYS 237 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1fr8 h LYS 237 CO -0.38 0.83 -0.32 0.93 -0.57 0.00 0.00 179.45 179.93 1fr8 h GLU 238 N 0.62 0.88 -0.74 3.15 4.39 -0.35 -3.19 114.58 119.34 1fr8 h GLU 238 Ca 0.13 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1fr8 h GLU 238 Cb 0.47 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1fr8 h GLU 238 CO 0.02 1.09 0.48 0.00 -1.16 0.00 0.00 179.01 179.44 1fr8 h ALA 239 N 0.77 0.94 0.00 3.43 0.00 -0.76 -1.59 119.26 122.06 1fr8 h ALA 239 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fr8 h ALA 239 Cb 0.91 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1fr8 h ALA 239 CO 0.08 0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 179.63 1fr8 h LEU 240 N 1.01 0.00 -0.50 0.00 3.38 -1.50 0.25 115.31 117.94 1fr8 h LEU 240 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1fr8 h LEU 240 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1fr8 h LEU 240 CO -0.06 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.77 1fr8 n LYS 241 N -3.19 0.15 -0.08 1.13 5.02 -0.60 -3.57 118.16 117.03 1fr8 n LYS 241 Ca -0.03 0.37 -0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1fr8 n LYS 241 Cb 0.11 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.22 1fr8 n LYS 241 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fr8 n ASP 242 N -2.07 1.56 -3.46 4.39 8.00 0.84 -5.07 116.55 120.75 1fr8 n ASP 242 Ca 0.03 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 1fr8 n ASP 242 Cb 0.23 0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 1fr8 n ASP 242 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr8 s TYR 243 N -2.37 -0.52 -1.54 1.24 5.04 -1.06 -5.03 117.35 113.11 1fr8 s TYR 243 Ca -0.11 0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 54.81 1fr8 s TYR 243 Cb 0.05 0.50 -0.10 0.00 0.35 0.00 0.00 41.96 42.76 1fr8 s TYR 243 CO 0.58 -0.80 3.00 -0.40 -1.34 0.00 0.00 175.55 176.59 1fr8 n ASP 244 N -0.18 8.60 -4.76 4.32 5.75 -1.26 -4.43 116.55 124.60 1fr8 n ASP 244 Ca -0.17 -2.57 -0.38 0.00 -0.01 0.00 0.00 54.79 51.66 1fr8 n ASP 244 Cb 0.64 -1.55 0.03 0.00 -1.03 0.00 0.00 41.12 39.20 1fr8 n ASP 244 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1fr8 s TYR 245 N 2.11 2.41 0.00 2.11 4.12 -1.26 -4.91 117.35 121.93 1fr8 s TYR 245 Ca 0.70 1.39 0.00 0.00 0.02 0.00 0.00 57.07 59.18 1fr8 s TYR 245 Cb 0.19 -3.73 0.00 0.00 -1.52 0.00 0.00 41.96 36.89 1fr8 s TYR 245 CO -0.06 -2.64 0.47 0.27 0.02 0.00 0.00 175.55 173.61 1fr8 n ASN 246 N -0.84 0.89 -3.90 2.29 0.23 -0.52 -4.88 115.26 108.54 1fr8 n ASN 246 Ca 0.09 -1.14 -0.11 0.00 -0.53 0.00 0.00 54.58 52.89 1fr8 n ASN 246 Cb 0.45 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.04 1fr8 n ASN 246 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1fr8 s PHE 248 N -0.95 0.55 -0.21 0.00 0.08 0.29 -1.72 117.98 116.02 1fr8 s PHE 248 Ca -0.10 -0.11 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1fr8 s PHE 248 Cb -0.06 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 1fr8 s PHE 248 CO 0.00 -0.20 -0.00 0.08 -0.10 0.00 0.00 175.22 175.00 1fr8 s VAL 249 N 1.22 3.83 -0.31 -0.44 1.01 -0.53 -0.24 120.40 124.95 1fr8 s VAL 249 Ca -0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1fr8 s VAL 249 Cb -0.14 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1fr8 s VAL 249 CO -0.02 0.41 0.11 -0.36 0.00 0.00 0.00 175.10 175.25 1fr8 s PHE 250 N 1.25 3.17 -0.04 5.22 0.40 0.12 0.01 117.98 128.11 1fr8 s PHE 250 Ca 0.03 -0.88 0.04 0.00 -0.60 0.00 0.00 56.93 55.52 1fr8 s PHE 250 Cb -0.15 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.08 1fr8 s PHE 250 CO 0.01 -0.56 -0.14 0.45 0.70 0.00 0.00 175.22 175.68 1fr8 s SER 251 N 1.53 1.86 0.65 1.36 0.15 -0.46 -1.20 113.70 117.60 1fr8 s SER 251 Ca 0.03 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 1fr8 s SER 251 Cb -0.17 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1fr8 s SER 251 CO 0.04 0.11 1.11 -1.81 1.20 0.00 0.00 173.24 173.90 1fr8 s ASP 252 N 0.16 5.12 0.28 5.45 1.01 -0.84 -4.05 116.67 123.80 1fr8 s ASP 252 Ca -0.05 2.02 0.02 0.00 0.71 0.00 0.00 52.55 55.25 1fr8 s ASP 252 Cb -0.11 -2.55 0.42 0.00 1.01 0.00 0.00 42.92 41.69 1fr8 s ASP 252 CO 0.02 -1.63 1.74 -0.37 0.21 0.00 0.00 175.17 175.14 1fr8 h VAL 253 N 0.09 1.25 0.00 -1.27 -1.51 -1.94 -3.22 116.25 109.66 1fr8 h VAL 253 Ca -0.47 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1fr8 h VAL 253 Cb 1.25 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1fr8 h VAL 253 CO 0.54 0.38 0.00 -0.90 -1.23 0.00 0.00 177.57 176.36 1fr8 n ASP 254 N -4.15 1.39 -4.03 4.19 5.68 -1.26 -4.60 116.55 113.77 1fr8 n ASP 254 Ca 0.00 -1.86 -0.23 0.00 -0.50 0.00 0.00 54.79 52.20 1fr8 n ASP 254 Cb 0.38 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.73 1fr8 n ASP 254 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1fr8 s LEU 255 N 0.00 1.73 -0.05 -2.12 1.43 -1.22 -1.27 118.68 117.18 1fr8 s LEU 255 Ca 0.00 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1fr8 s LEU 255 Cb 0.00 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1fr8 s LEU 255 CO 0.00 0.06 -0.14 -0.63 0.23 0.00 0.00 176.35 175.88 1fr8 s ILE 256 N 0.38 1.20 0.10 -0.59 -1.09 -0.28 -4.93 121.20 115.99 1fr8 s ILE 256 Ca -0.08 -0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 57.48 1fr8 s ILE 256 Cb -0.12 -1.06 -0.06 0.00 -1.58 0.00 0.00 42.46 39.64 1fr8 s ILE 256 CO 0.02 0.36 1.06 -2.16 -1.23 0.00 0.00 174.94 172.99 1fr8 s PRO 257 N 0.35 4.58 0.00 2.79 0.04 -1.26 -0.26 135.00 141.24 1fr8 s PRO 257 Ca -0.09 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.71 1fr8 s PRO 257 Cb -0.13 -3.36 0.60 0.00 0.04 0.00 0.00 34.50 31.66 1fr8 s PRO 257 CO 0.03 0.02 1.45 -1.33 0.04 0.00 0.00 177.00 177.20 1fr8 n MET 258 N 3.12 1.70 -3.49 4.56 2.81 0.29 -4.77 117.12 121.34 1fr8 n MET 258 Ca 0.05 -1.06 -0.06 0.00 -1.81 0.00 0.00 57.70 54.81 1fr8 n MET 258 Cb 0.48 -1.34 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 1fr8 n MET 258 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1fr8 s ASN 259 N -1.36 -0.32 0.00 7.83 3.04 -1.26 -0.79 114.94 122.08 1fr8 s ASN 259 Ca 0.28 0.78 0.05 0.00 0.04 0.00 0.00 52.86 54.01 1fr8 s ASN 259 Cb 0.15 1.47 0.29 0.00 -1.54 0.00 0.00 41.25 41.62 1fr8 s ASN 259 CO 0.22 -0.26 0.66 -0.90 -3.04 0.00 0.00 177.10 173.78 1fr8 n ASP 260 N 5.39 0.00 0.11 -4.21 3.85 -1.13 -1.32 116.55 119.24 1fr8 n ASP 260 Ca -0.06 -0.43 0.13 0.00 -0.71 0.00 0.00 54.79 53.72 1fr8 n ASP 260 Cb 0.50 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.60 1fr8 n ASP 260 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1fr8 h HIS 261 N 0.00 0.00 -0.23 2.11 3.86 -1.88 -3.37 115.15 115.64 1fr8 h HIS 261 Ca 0.00 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 1fr8 h HIS 261 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1fr8 h HIS 261 CO 0.00 0.00 2.92 -1.71 0.86 0.00 0.00 177.93 180.00 1fr8 n ASN 262 N -2.33 4.11 -4.66 2.45 5.15 -0.43 -4.96 115.26 114.58 1fr8 n ASN 262 Ca 0.05 -2.87 -0.47 0.00 -0.60 0.00 0.00 54.58 50.69 1fr8 n ASN 262 Cb 0.44 -1.66 -0.05 0.00 -0.53 0.00 0.00 39.78 37.99 1fr8 n ASN 262 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1fr8 n THR 263 N 5.20 0.12 -1.82 -0.44 -1.04 -1.26 -4.88 114.28 110.15 1fr8 n THR 263 Ca 0.51 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 62.09 1fr8 n THR 263 Cb 0.40 -1.50 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1fr8 n THR 263 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fr8 n TYR 264 N 3.95 2.92 -4.37 -1.42 4.02 -1.26 -4.85 117.16 116.15 1fr8 n TYR 264 Ca 0.18 -2.93 -0.22 0.00 -0.01 0.00 0.00 57.90 54.93 1fr8 n TYR 264 Cb 0.27 -2.25 -0.07 0.00 -0.02 0.00 0.00 39.34 37.26 1fr8 n TYR 264 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1fr8 n ARG 265 N 4.07 0.48 -3.80 -0.72 1.85 -1.26 -4.95 116.66 112.32 1fr8 n ARG 265 Ca 0.58 -3.35 -0.25 0.00 -1.00 0.00 0.00 57.85 53.83 1fr8 n ARG 265 Cb 0.32 2.35 -0.03 0.00 -1.05 0.00 0.00 32.46 34.05 1fr8 n ARG 265 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1fr8 n PHE 267 N -0.95 0.28 0.29 0.00 3.01 -1.26 -5.02 117.46 113.81 1fr8 n PHE 267 Ca -0.06 -0.95 0.16 0.00 1.01 0.00 0.00 57.45 57.60 1fr8 n PHE 267 Cb 0.55 -0.08 0.87 0.00 -0.01 0.00 0.00 39.48 40.81 1fr8 n PHE 267 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1fr8 h SER 268 N 0.51 0.00 -4.07 4.37 4.64 -2.00 -3.43 113.55 113.58 1fr8 h SER 268 Ca -0.14 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.85 1fr8 h SER 268 Cb 0.47 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.41 1fr8 h SER 268 CO 0.23 0.06 -0.68 -1.10 -0.87 0.00 0.00 176.83 174.46 1fr8 s GLN 269 N -4.26 1.16 0.29 4.77 -1.52 -1.26 -5.05 119.66 113.78 1fr8 s GLN 269 Ca -0.04 -1.54 -0.30 0.00 -1.95 0.00 0.00 55.36 51.53 1fr8 s GLN 269 Cb 0.13 -0.53 -0.12 0.00 -0.22 0.00 0.00 33.01 32.27 1fr8 s GLN 269 CO 0.54 -0.03 1.48 -2.30 -0.25 0.00 0.00 175.29 174.73 1fr8 n PRO 270 N -0.28 2.38 -3.62 2.91 -0.02 -1.21 -4.50 135.00 130.67 1fr8 n PRO 270 Ca -0.08 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 1fr8 n PRO 270 Cb 0.62 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1fr8 n PRO 270 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fr8 s ARG 271 N -0.77 4.16 -0.35 -0.52 1.81 -0.02 0.27 118.95 123.52 1fr8 s ARG 271 Ca 0.64 -0.01 -0.08 0.00 -1.72 0.00 0.00 55.73 54.56 1fr8 s ARG 271 Cb -0.56 -3.40 0.03 0.00 -0.45 0.00 0.00 34.95 30.58 1fr8 s ARG 271 CO 0.52 0.32 0.14 -1.58 -0.68 0.00 0.00 175.30 174.02 1fr8 s HIS 272 N 0.25 3.24 -0.16 -0.53 5.65 -0.36 -0.77 115.29 122.60 1fr8 s HIS 272 Ca 0.14 -1.23 -0.14 0.00 0.25 0.00 0.00 55.06 54.08 1fr8 s HIS 272 Cb -0.12 -2.33 -0.10 0.00 -1.18 0.00 0.00 32.58 28.84 1fr8 s HIS 272 CO 0.02 -0.69 0.06 0.82 -0.65 0.00 0.00 174.74 174.30 1fr8 h ILE 273 N 6.05 0.47 0.00 0.89 2.04 -1.36 -3.38 117.51 122.22 1fr8 h ILE 273 Ca -0.25 -1.54 -0.44 0.00 1.00 0.00 0.00 64.86 63.64 1fr8 h ILE 273 Cb 1.09 1.07 0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1fr8 h ILE 273 CO 0.62 0.16 2.28 -1.54 0.00 0.00 0.00 178.15 179.68 1fr8 n SER 274 N -4.57 3.42 -0.12 1.72 3.41 -1.06 -4.64 113.62 111.78 1fr8 n SER 274 Ca -0.16 -2.42 -0.12 0.00 -0.26 0.00 0.00 58.87 55.91 1fr8 n SER 274 Cb 0.40 -1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.33 1fr8 n SER 274 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1fr8 h VAL 275 N 3.92 1.27 -3.39 -3.33 2.07 -1.76 -3.42 116.25 111.61 1fr8 h VAL 275 Ca 0.41 -1.53 -0.59 0.00 0.82 0.00 0.00 66.70 65.81 1fr8 h VAL 275 Cb 0.34 1.34 -0.39 0.00 -1.52 0.00 0.00 31.29 31.06 1fr8 h VAL 275 CO 1.60 0.51 -0.76 0.00 0.02 0.00 0.00 177.57 178.94 1fr8 s ALA 276 N -4.44 1.73 -0.14 1.67 0.00 0.06 -3.67 121.76 116.98 1fr8 s ALA 276 Ca -0.11 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 1fr8 s ALA 276 Cb 0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1fr8 s ALA 276 CO 0.88 -1.43 0.03 -1.64 0.00 0.00 0.00 175.76 173.60 1fr8 s MET 277 N 1.51 3.59 0.33 0.00 1.00 -1.26 0.92 119.30 125.39 1fr8 s MET 277 Ca 0.03 -0.38 0.08 0.00 0.00 0.00 0.00 55.69 55.42 1fr8 s MET 277 Cb -0.18 -3.03 0.81 0.00 0.00 0.00 0.00 34.83 32.43 1fr8 s MET 277 CO -0.14 0.43 1.80 0.38 0.00 0.00 0.00 175.02 177.49 1fr8 h ASP 278 N 6.11 0.71 0.26 3.03 3.04 -0.92 0.64 116.42 129.29 1fr8 h ASP 278 Ca -0.41 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1fr8 h ASP 278 Cb 1.18 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1fr8 h ASP 278 CO 0.63 0.27 0.00 2.29 -2.04 0.00 0.00 179.24 180.39 1fr8 n LYS 279 N -4.69 0.04 -1.33 4.15 2.85 -1.26 -2.19 118.16 115.73 1fr8 n LYS 279 Ca 0.22 0.31 -0.09 0.00 -1.05 0.00 0.00 58.31 57.70 1fr8 n LYS 279 Cb 0.58 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.58 1fr8 n LYS 279 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fr8 n PHE 280 N -1.43 1.34 -1.56 5.58 0.99 0.21 -2.06 117.46 120.53 1fr8 n PHE 280 Ca 0.03 -1.84 -0.19 0.00 -0.00 0.00 0.00 57.45 55.45 1fr8 n PHE 280 Cb 0.09 -0.29 -0.08 0.00 -1.00 0.00 0.00 39.48 38.20 1fr8 n PHE 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fr8 n GLY 281 N -0.89 1.82 2.40 1.37 0.00 -0.93 -0.45 105.19 108.51 1fr8 n GLY 281 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 1fr8 n GLY 281 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fr8 n PHE 282 N -2.27 -0.58 -4.69 1.61 3.01 -0.43 -4.97 117.46 109.13 1fr8 n PHE 282 Ca -0.19 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.01 1fr8 n PHE 282 Cb 0.63 -3.40 -0.16 0.00 -0.01 0.00 0.00 39.48 36.54 1fr8 n PHE 282 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1fr8 s SER 283 N -2.39 1.96 0.13 4.37 1.04 0.41 -4.54 113.70 114.68 1fr8 s SER 283 Ca 0.00 -0.33 -0.35 0.00 0.48 0.00 0.00 55.95 55.75 1fr8 s SER 283 Cb 0.00 -0.81 -0.15 0.00 0.10 0.00 0.00 66.02 65.16 1fr8 s SER 283 CO 0.00 0.07 1.42 -0.11 0.98 0.00 0.00 173.24 175.61 1fr8 n LEU 284 N 3.60 2.29 0.23 2.42 7.94 -1.24 -4.76 117.00 127.48 1fr8 n LEU 284 Ca -0.21 1.11 0.07 0.00 -1.11 0.00 0.00 56.01 55.87 1fr8 n LEU 284 Cb 0.52 -1.30 0.55 0.00 0.53 0.00 0.00 43.42 43.72 1fr8 n LEU 284 CO 0.26 -0.74 0.91 -0.65 -1.11 0.00 0.00 177.39 176.05 1fr8 h PRO 285 N 4.98 0.00 -1.26 1.96 0.11 -1.92 -3.46 132.00 132.41 1fr8 h PRO 285 Ca -0.46 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.89 1fr8 h PRO 285 Cb 1.30 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1fr8 h PRO 285 CO 0.81 0.18 0.86 1.52 -0.21 0.00 0.00 178.00 181.17 1fr8 s TYR 286 N -4.49 -0.10 0.60 0.65 -0.85 -1.26 -4.93 117.35 106.96 1fr8 s TYR 286 Ca -0.04 0.12 0.29 0.00 -0.52 0.00 0.00 57.07 56.93 1fr8 s TYR 286 Cb 0.15 0.50 1.62 0.00 0.38 0.00 0.00 41.96 44.61 1fr8 s TYR 286 CO 0.67 -0.13 2.03 -0.39 -1.52 0.00 0.00 175.55 176.22 1fr8 h VAL 287 N 2.08 0.39 -0.51 -3.49 -1.51 -2.03 -1.62 116.25 109.56 1fr8 h VAL 287 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1fr8 h VAL 287 Cb 1.17 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1fr8 h VAL 287 CO 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.57 1fr8 n GLN 288 N -3.69 4.49 -2.49 5.19 0.00 -1.26 -4.95 117.38 114.67 1fr8 n GLN 288 Ca 0.03 -3.10 -0.42 0.00 0.00 0.00 0.00 57.00 53.51 1fr8 n GLN 288 Cb 0.42 -2.18 -0.03 0.00 0.00 0.00 0.00 30.24 28.45 1fr8 n GLN 288 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1fr8 s TYR 289 N -2.78 3.33 -0.10 2.61 5.04 -0.61 -4.89 117.35 119.94 1fr8 s TYR 289 Ca 0.52 1.31 0.21 0.00 -2.44 0.00 0.00 57.07 56.68 1fr8 s TYR 289 Cb 0.40 -3.38 0.44 0.00 0.35 0.00 0.00 41.96 39.78 1fr8 s TYR 289 CO 0.14 -1.11 1.17 0.34 -1.34 0.00 0.00 175.55 174.76 1fr8 n PHE 290 N 4.69 0.33 -3.51 4.97 7.35 -1.26 -5.01 117.46 125.01 1fr8 n PHE 290 Ca 0.10 -1.04 -0.21 0.00 -0.76 0.00 0.00 57.45 55.53 1fr8 n PHE 290 Cb 0.47 -0.19 -0.01 0.00 0.35 0.00 0.00 39.48 40.10 1fr8 n PHE 290 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1fr8 s GLY 291 N -2.61 1.44 0.00 7.13 0.00 -1.26 -4.82 107.32 107.20 1fr8 s GLY 291 Ca 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1fr8 s GLY 291 CO -0.12 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.43 1fr8 n GLY 292 N -1.68 0.84 2.85 0.20 0.00 -1.26 -4.75 105.19 101.39 1fr8 n GLY 292 Ca -0.03 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1fr8 n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr8 s VAL 293 N 0.00 0.44 0.15 1.61 1.01 -1.26 -1.98 120.40 120.37 1fr8 s VAL 293 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1fr8 s VAL 293 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1fr8 s VAL 293 CO 0.00 0.22 0.23 -0.94 0.00 0.00 0.00 175.10 174.61 1fr8 s SER 294 N 1.14 0.10 -0.01 3.32 1.04 -0.34 -0.98 113.70 117.99 1fr8 s SER 294 Ca -0.08 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1fr8 s SER 294 Cb -0.14 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1fr8 s SER 294 CO -0.01 -0.85 0.01 0.00 0.98 0.00 0.00 173.24 173.36 1fr8 s ALA 295 N -3.98 0.05 0.01 5.32 0.00 0.05 0.13 121.76 123.34 1fr8 s ALA 295 Ca 0.18 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1fr8 s ALA 295 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1fr8 s ALA 295 CO 0.00 -0.03 -0.06 -0.51 0.00 0.00 0.00 175.76 175.16 1fr8 s LEU 296 N 0.33 2.09 0.76 0.00 1.02 0.67 -0.84 118.68 122.70 1fr8 s LEU 296 Ca -0.03 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 1fr8 s LEU 296 Cb -0.04 -0.24 0.05 0.00 0.02 0.00 0.00 46.19 45.98 1fr8 s LEU 296 CO -0.01 -0.02 1.09 -0.94 0.02 0.00 0.00 176.35 176.49 1fr8 s SER 297 N -0.58 4.86 0.21 2.29 1.04 -1.26 -0.55 113.70 119.70 1fr8 s SER 297 Ca -0.02 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.69 1fr8 s SER 297 Cb -0.05 -2.17 0.28 0.00 0.10 0.00 0.00 66.02 64.19 1fr8 s SER 297 CO -0.00 -1.75 1.71 0.50 0.98 0.00 0.00 173.24 174.68 1fr8 h LYS 298 N -0.93 0.25 0.03 4.02 3.64 -1.59 0.91 116.57 122.89 1fr8 h LYS 298 Ca -0.46 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1fr8 h LYS 298 Cb 1.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1fr8 h LYS 298 CO 0.59 0.17 -0.11 0.37 -2.27 0.00 0.00 179.45 178.19 1fr8 h GLN 299 N 0.26 -0.20 -0.75 1.90 5.75 -1.91 0.77 115.11 120.93 1fr8 h GLN 299 Ca 0.31 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.84 1fr8 h GLN 299 Cb 0.45 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1fr8 h GLN 299 CO -0.39 -0.13 0.48 1.96 -2.65 0.00 0.00 178.83 178.10 1fr8 h GLN 300 N -0.20 0.92 0.28 1.69 4.20 -1.75 0.25 115.11 120.50 1fr8 h GLN 300 Ca 0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1fr8 h GLN 300 Cb 0.24 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1fr8 h GLN 300 CO -0.09 0.61 -0.14 0.35 -0.67 0.00 0.00 178.83 178.89 1fr8 h PHE 301 N 0.95 -0.35 -0.43 2.96 3.57 -0.12 -2.88 116.94 120.64 1fr8 h PHE 301 Ca 0.29 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.84 1fr8 h PHE 301 Cb -0.02 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1fr8 h PHE 301 CO -0.03 -0.19 0.13 -0.07 -2.23 0.00 0.00 178.31 175.92 1fr8 h LEU 302 N -0.42 0.11 -1.28 0.59 4.07 -0.68 -1.55 115.31 116.16 1fr8 h LEU 302 Ca -0.04 0.06 0.33 0.00 0.08 0.00 0.00 57.88 58.31 1fr8 h LEU 302 Cb 0.32 0.06 -0.12 0.00 1.08 0.00 0.00 40.66 41.99 1fr8 h LEU 302 CO 0.06 0.10 0.70 -1.28 -1.08 0.00 0.00 178.44 176.94 1fr8 h SER 303 N 0.28 0.40 -0.68 -0.43 0.87 -0.73 0.33 113.55 113.59 1fr8 h SER 303 Ca 0.20 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1fr8 h SER 303 Cb 0.21 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1fr8 h SER 303 CO -0.23 -0.06 0.00 2.30 -0.53 0.00 0.00 176.83 178.32 1fr8 n ILE 304 N -4.76 1.58 -3.44 2.23 -5.35 -0.97 -4.94 119.36 103.72 1fr8 n ILE 304 Ca 0.31 -1.12 -0.20 0.00 -0.27 0.00 0.00 62.75 61.47 1fr8 n ILE 304 Cb 1.08 0.22 0.07 0.00 -1.74 0.00 0.00 39.64 39.28 1fr8 n ILE 304 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1fr8 n ASN 305 N 1.29 -4.99 0.00 7.28 4.05 0.12 -4.73 115.26 118.28 1fr8 n ASN 305 Ca 0.25 -0.50 0.00 0.00 0.45 0.00 0.00 54.58 54.78 1fr8 n ASN 305 Cb 0.81 -4.59 0.00 0.00 1.23 0.00 0.00 39.78 37.23 1fr8 n ASN 305 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fr8 n GLY 306 N -1.68 1.82 3.59 8.20 0.00 -0.62 -1.38 105.19 115.11 1fr8 n GLY 306 Ca -0.06 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1fr8 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr8 s PHE 307 N 0.00 2.53 0.72 1.61 0.08 -1.26 -4.84 117.98 116.82 1fr8 s PHE 307 Ca 0.00 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 56.59 1fr8 s PHE 307 Cb 0.00 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1fr8 s PHE 307 CO 0.00 0.61 1.21 -1.25 -0.10 0.00 0.00 175.22 175.69 1fr8 s PRO 308 N -3.64 2.21 0.00 0.24 0.04 -1.26 -4.09 135.00 128.50 1fr8 s PRO 308 Ca 0.32 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1fr8 s PRO 308 Cb -0.04 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1fr8 s PRO 308 CO 0.18 -1.78 0.37 0.09 0.04 0.00 0.00 177.00 175.89 1fr8 n ASN 309 N -2.64 0.66 -0.18 6.66 3.02 -1.26 -3.76 115.26 117.76 1fr8 n ASN 309 Ca 0.13 -0.83 0.12 0.00 -0.03 0.00 0.00 54.58 53.98 1fr8 n ASN 309 Cb 0.50 0.64 0.31 0.00 -0.61 0.00 0.00 39.78 40.62 1fr8 n ASN 309 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fr8 n ASN 310 N -0.61 0.93 -4.68 6.41 5.03 -1.26 -4.75 115.26 116.33 1fr8 n ASN 310 Ca 0.02 -0.74 -0.42 0.00 0.87 0.00 0.00 54.58 54.30 1fr8 n ASN 310 Cb 0.09 0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 39.04 1fr8 n ASN 310 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1fr8 s TYR 311 N -2.66 3.46 -0.23 3.10 1.51 -1.26 -4.94 117.35 116.34 1fr8 s TYR 311 Ca 0.20 1.44 0.12 0.00 -1.01 0.00 0.00 57.07 57.82 1fr8 s TYR 311 Cb 0.19 -3.11 0.47 0.00 -0.11 0.00 0.00 41.96 39.39 1fr8 s TYR 311 CO 0.58 -0.24 1.38 0.91 -1.11 0.00 0.00 175.55 177.07 1fr8 n TRP 312 N 5.17 0.76 0.00 2.71 7.02 -1.26 -4.72 117.44 127.12 1fr8 n TRP 312 Ca 0.07 -1.34 0.00 0.00 -1.02 0.00 0.00 57.50 55.21 1fr8 n TRP 312 Cb 0.49 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1fr8 n TRP 312 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fr8 n GLY 313 N -1.03 1.55 0.02 6.99 0.00 -1.21 -4.00 105.19 107.52 1fr8 n GLY 313 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 1fr8 n GLY 313 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fr8 n TRP 314 N -1.25 0.13 0.00 1.61 8.01 -1.26 -5.00 117.44 119.68 1fr8 n TRP 314 Ca 0.00 0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 1fr8 n TRP 314 Cb 0.00 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 1fr8 n TRP 314 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fr8 n GLY 315 N 1.38 -0.11 0.00 6.99 0.00 -1.26 -5.04 105.19 107.14 1fr8 n GLY 315 Ca 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1fr8 n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr8 n GLY 316 N 0.49 0.73 0.31 -0.02 0.00 -1.26 -4.98 105.19 100.46 1fr8 n GLY 316 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1fr8 n GLY 316 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fr8 h GLU 317 N 2.30 0.73 -0.03 1.61 9.09 -1.96 0.18 114.58 126.51 1fr8 h GLU 317 Ca 0.00 -0.08 -0.10 0.00 0.05 0.00 0.00 59.36 59.23 1fr8 h GLU 317 Cb 0.00 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 26.94 1fr8 h GLU 317 CO 0.00 0.55 -0.46 0.38 0.05 0.00 0.00 179.01 179.53 1fr8 h ASP 318 N 0.74 0.08 0.40 3.06 2.03 -1.94 0.14 116.42 120.92 1fr8 h ASP 318 Ca 0.19 -0.03 -0.19 0.00 -0.73 0.00 0.00 57.03 56.26 1fr8 h ASP 318 Cb 0.05 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 1fr8 h ASP 318 CO -0.03 0.53 -0.81 0.44 -1.03 0.00 0.00 179.24 178.34 1fr8 h ASP 319 N 0.06 0.39 -0.22 4.15 3.32 -1.24 -2.28 116.42 120.61 1fr8 h ASP 319 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1fr8 h ASP 319 Cb 0.84 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1fr8 h ASP 319 CO 0.06 1.05 0.11 -0.78 -1.72 0.00 0.00 179.24 177.96 1fr8 h ASP 320 N 0.20 0.28 -0.62 6.45 3.58 -0.17 -1.15 116.42 124.98 1fr8 h ASP 320 Ca -0.04 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.34 1fr8 h ASP 320 Cb 1.41 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.36 1fr8 h ASP 320 CO 0.13 0.31 0.41 0.40 -2.88 0.00 0.00 179.24 177.61 1fr8 h ILE 321 N 0.23 1.05 -0.48 2.25 2.04 -0.66 0.94 117.51 122.88 1fr8 h ILE 321 Ca 0.07 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 1fr8 h ILE 321 Cb 0.10 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1fr8 h ILE 321 CO -0.01 0.12 -0.11 0.22 0.00 0.00 0.00 178.15 178.37 1fr8 h TYR 322 N 0.68 0.97 -0.47 1.37 3.20 -0.79 -2.28 116.97 119.66 1fr8 h TYR 322 Ca 0.26 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1fr8 h TYR 322 Cb 0.16 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1fr8 h TYR 322 CO -0.00 0.94 0.12 -0.91 -1.64 0.00 0.00 178.16 176.67 1fr8 h ASN 323 N 0.79 0.70 -0.72 -2.11 2.35 0.19 -2.24 115.58 114.53 1fr8 h ASN 323 Ca 0.13 -0.23 0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1fr8 h ASN 323 Cb 0.63 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 1fr8 h ASN 323 CO 0.04 0.75 0.40 0.03 -1.65 0.00 0.00 177.43 177.00 1fr8 h ARG 324 N 0.62 0.69 -0.70 0.81 3.08 -0.64 -1.09 114.38 117.16 1fr8 h ARG 324 Ca 0.15 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1fr8 h ARG 324 Cb 0.31 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1fr8 h ARG 324 CO 0.00 0.46 0.46 -0.07 -1.07 0.00 0.00 179.97 179.75 1fr8 h LEU 325 N 0.71 0.78 -0.33 3.04 3.38 -1.00 -1.60 115.31 120.29 1fr8 h LEU 325 Ca 0.33 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1fr8 h LEU 325 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1fr8 h LEU 325 CO -0.21 0.56 0.03 0.00 0.09 0.00 0.00 178.44 178.90 1fr8 h ALA 326 N 1.27 0.45 -0.67 1.53 0.00 -0.90 0.31 119.26 121.24 1fr8 h ALA 326 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fr8 h ALA 326 Cb -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1fr8 h ALA 326 CO -0.07 0.17 0.40 0.74 0.00 0.00 0.00 179.25 180.49 1fr8 h PHE 327 N 0.39 0.88 -0.26 0.00 0.05 -0.94 -0.07 116.94 116.98 1fr8 h PHE 327 Ca 0.10 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.83 1fr8 h PHE 327 Cb 0.39 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 38.02 1fr8 h PHE 327 CO 0.03 0.58 0.08 0.54 -0.18 0.00 0.00 178.31 179.36 1fr8 n ARG 328 N -4.40 2.13 -2.47 1.51 5.12 -0.63 -4.88 116.66 113.04 1fr8 n ARG 328 Ca 0.07 -1.14 -0.19 0.00 -1.93 0.00 0.00 57.85 54.65 1fr8 n ARG 328 Cb 0.07 -1.67 -0.01 0.00 -1.16 0.00 0.00 32.46 29.69 1fr8 n ARG 328 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fr8 n GLY 329 N 0.13 -0.50 3.86 -0.13 0.00 -0.04 -4.99 105.19 103.51 1fr8 n GLY 329 Ca 0.14 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1fr8 n GLY 329 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr8 s MET 330 N -5.11 2.62 0.39 1.61 -1.94 0.11 -5.01 119.30 111.97 1fr8 s MET 330 Ca 0.03 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.64 1fr8 s MET 330 Cb -0.01 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 1fr8 s MET 330 CO 0.04 -0.03 0.14 -1.13 -0.01 0.00 0.00 175.02 174.03 1fr8 n SER 331 N -1.44 1.17 -4.67 3.03 3.41 -1.26 -4.01 113.62 109.84 1fr8 n SER 331 Ca 0.00 -3.09 -0.36 0.00 -0.26 0.00 0.00 58.87 55.16 1fr8 n SER 331 Cb 0.61 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.48 1fr8 n SER 331 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fr8 s VAL 332 N -3.03 5.35 -0.11 -3.33 1.01 -1.26 -3.29 120.40 115.74 1fr8 s VAL 332 Ca 0.20 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1fr8 s VAL 332 Cb 0.01 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1fr8 s VAL 332 CO 0.14 0.35 0.26 -0.55 0.00 0.00 0.00 175.10 175.31 1fr8 s SER 333 N 0.94 6.49 0.06 3.32 0.15 0.14 -4.96 113.70 119.84 1fr8 s SER 333 Ca 0.09 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.32 1fr8 s SER 333 Cb -0.13 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1fr8 s SER 333 CO 0.04 0.25 -0.05 -0.13 1.20 0.00 0.00 173.24 174.55 1fr8 s ARG 334 N -0.36 0.62 0.56 5.44 0.52 -1.26 -1.23 118.95 123.24 1fr8 s ARG 334 Ca 0.17 -1.04 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1fr8 s ARG 334 Cb -0.13 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.24 1fr8 s ARG 334 CO 0.06 -0.03 0.90 -1.25 0.02 0.00 0.00 175.30 175.00 1fr8 s PRO 335 N -2.88 3.33 0.75 3.54 0.04 -1.26 -5.03 135.00 133.49 1fr8 s PRO 335 Ca 0.00 0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.22 1fr8 s PRO 335 Cb -0.01 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.33 1fr8 s PRO 335 CO -0.04 -0.49 1.10 0.54 0.04 0.00 0.00 177.00 178.14 1fr8 s ASN 336 N -4.20 4.59 0.00 6.66 6.03 -1.26 -4.71 114.94 122.05 1fr8 s ASN 336 Ca 0.52 1.87 0.00 0.00 -1.03 0.00 0.00 52.86 54.21 1fr8 s ASN 336 Cb -0.11 -2.53 0.00 0.00 -3.03 0.00 0.00 41.25 35.59 1fr8 s ASN 336 CO 0.48 -1.98 0.92 0.00 -2.03 0.00 0.00 177.10 174.49 1fr8 n ALA 337 N -3.31 0.90 -0.08 3.54 0.00 -1.26 -1.00 120.51 119.29 1fr8 n ALA 337 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 1fr8 n ALA 337 Cb 0.53 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 1fr8 n ALA 337 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fr8 h VAL 338 N 0.00 1.08 0.00 0.00 2.07 -1.98 -3.36 116.25 114.07 1fr8 h VAL 338 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1fr8 h VAL 338 Cb 0.11 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1fr8 h VAL 338 CO 0.00 0.37 -0.26 0.16 0.02 0.00 0.00 177.57 177.86 1fr8 h ILE 339 N -1.00 0.00 -0.38 4.57 3.07 -1.84 -3.25 117.51 118.68 1fr8 h ILE 339 Ca -0.16 -0.76 -0.17 0.00 1.55 0.00 0.00 64.86 65.31 1fr8 h ILE 339 Cb 1.02 1.61 -0.10 0.00 -0.27 0.00 0.00 36.82 39.08 1fr8 h ILE 339 CO -0.10 0.00 0.22 0.61 -1.05 0.00 0.00 178.15 177.83 1fr8 n GLY 340 N 1.21 2.86 3.79 0.16 0.00 -0.17 -4.30 105.19 108.74 1fr8 n GLY 340 Ca 0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1fr8 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr8 s LYS 341 N -1.45 4.50 0.00 1.61 1.02 -1.23 -0.76 119.74 123.43 1fr8 s LYS 341 Ca 0.24 1.17 -0.05 0.00 0.02 0.00 0.00 55.97 57.34 1fr8 s LYS 341 Cb 0.20 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1fr8 s LYS 341 CO 0.05 0.37 0.10 0.00 -0.92 0.00 0.00 175.35 174.95 1fr8 s ARG 343 N -1.26 3.15 -0.22 0.00 1.81 0.64 -0.17 118.95 122.90 1fr8 s ARG 343 Ca -0.14 -0.48 -0.07 0.00 -1.72 0.00 0.00 55.73 53.33 1fr8 s ARG 343 Cb -0.08 -2.90 -0.03 0.00 -0.45 0.00 0.00 34.95 31.49 1fr8 s ARG 343 CO 0.01 0.64 0.05 1.41 -0.68 0.00 0.00 175.30 176.72 1fr8 s MET 344 N -1.95 3.74 -0.37 3.54 -2.45 -1.26 -1.13 119.30 119.41 1fr8 s MET 344 Ca 0.26 -0.45 -0.27 0.00 -1.25 0.00 0.00 55.69 53.98 1fr8 s MET 344 Cb -0.12 -3.23 -0.06 0.00 1.25 0.00 0.00 34.83 32.68 1fr8 s MET 344 CO 0.17 -0.00 2.27 0.42 1.05 0.00 0.00 175.02 178.93 1fr8 s ILE 345 N 1.10 3.05 -0.39 10.11 1.01 -0.39 -4.87 121.20 130.81 1fr8 s ILE 345 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1fr8 s ILE 345 Cb -0.14 -3.09 0.16 0.00 0.01 0.00 0.00 42.46 39.40 1fr8 s ILE 345 CO 0.03 -0.07 0.43 0.00 0.00 0.00 0.00 174.94 175.33 1fr8 s ARG 346 N 7.24 0.73 0.60 2.79 1.70 -1.26 -4.99 118.95 125.76 1fr8 s ARG 346 Ca 0.97 -0.92 -0.10 0.00 -0.47 0.00 0.00 55.73 55.21 1fr8 s ARG 346 Cb -0.24 -0.63 0.15 0.00 -0.57 0.00 0.00 34.95 33.66 1fr8 s ARG 346 CO 0.30 -1.22 0.46 -2.39 -1.08 0.00 0.00 175.30 171.37 1fr8 n HIS 347 N 4.03 -3.20 -1.11 5.89 1.44 -1.26 -4.43 115.22 116.58 1fr8 n HIS 347 Ca 0.13 -0.42 0.14 0.00 -2.01 0.00 0.00 57.72 55.56 1fr8 n HIS 347 Cb 0.48 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 29.99 1fr8 n HIS 347 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1fr8 n SER 348 N -4.00 -6.31 -4.51 4.39 7.64 -1.26 -4.33 113.62 105.23 1fr8 n SER 348 Ca 0.07 0.98 -0.43 0.00 1.01 0.00 0.00 58.87 60.50 1fr8 n SER 348 Cb 0.27 -3.72 -0.04 0.00 -1.01 0.00 0.00 64.21 59.71 1fr8 n SER 348 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1fr8 s ARG 349 N -3.55 3.29 -0.26 1.43 6.06 -1.26 -4.96 118.95 119.70 1fr8 s ARG 349 Ca 0.00 -0.34 0.02 0.00 -2.50 0.00 0.00 55.73 52.91 1fr8 s ARG 349 Cb 0.00 -4.09 0.05 0.00 0.06 0.00 0.00 34.95 30.98 1fr8 s ARG 349 CO 0.00 -1.58 -0.09 -0.51 -2.50 0.00 0.00 175.30 170.61 1fr8 s ASP 350 N 3.04 4.44 0.00 -2.12 1.01 -1.26 -4.92 116.67 116.85 1fr8 s ASP 350 Ca 0.30 -1.31 0.00 0.00 0.71 0.00 0.00 52.55 52.25 1fr8 s ASP 350 Cb -0.13 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1fr8 s ASP 350 CO 0.18 -0.19 0.05 1.17 0.21 0.00 0.00 175.17 176.58 1fr8 n LYS 351 N 4.49 5.74 -1.64 8.23 3.00 -1.26 -5.04 118.16 131.68 1fr8 n LYS 351 Ca -0.14 -0.05 -0.45 0.00 -0.00 0.00 0.00 58.31 57.67 1fr8 n LYS 351 Cb 0.43 -0.51 -0.02 0.00 0.00 0.00 0.00 35.03 34.93 1fr8 n LYS 351 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1fr8 n LYS 352 N -0.83 1.71 -3.30 1.64 4.76 -1.26 -4.92 118.16 115.96 1fr8 n LYS 352 Ca 0.00 0.60 -0.41 0.00 -2.87 0.00 0.00 58.31 55.64 1fr8 n LYS 352 Cb 0.00 -2.12 -0.08 0.00 -1.84 0.00 0.00 35.03 30.99 1fr8 n LYS 352 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1fr8 s ASN 353 N -0.18 6.29 0.25 4.39 2.47 -1.26 -4.95 114.94 121.96 1fr8 s ASN 353 Ca 0.63 0.04 -0.30 0.00 0.42 0.00 0.00 52.86 53.64 1fr8 s ASN 353 Cb -0.68 -2.25 -0.14 0.00 -1.45 0.00 0.00 41.25 36.74 1fr8 s ASN 353 CO 0.56 -0.38 1.23 -0.62 -3.72 0.00 0.00 177.10 174.17 1fr8 n GLU 354 N 5.58 1.65 -1.57 0.43 1.02 -0.87 -4.83 120.64 122.05 1fr8 n GLU 354 Ca -0.06 0.58 -0.53 0.00 -0.02 0.00 0.00 57.16 57.13 1fr8 n GLU 354 Cb 0.49 -2.12 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 1fr8 n GLU 354 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1fr8 n PRO 355 N 1.41 0.93 -1.55 3.49 -0.04 -1.26 -4.77 135.00 133.22 1fr8 n PRO 355 Ca 0.11 0.34 -0.44 0.00 -0.04 0.00 0.00 63.50 63.47 1fr8 n PRO 355 Cb 0.30 -1.95 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 1fr8 n PRO 355 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1fr8 n ASN 356 N 2.34 2.68 -4.72 3.54 5.15 -1.26 -4.91 115.26 118.08 1fr8 n ASN 356 Ca 0.19 0.11 -0.40 0.00 -0.60 0.00 0.00 54.58 53.88 1fr8 n ASN 356 Cb 0.17 -1.47 0.02 0.00 -0.53 0.00 0.00 39.78 37.98 1fr8 n ASN 356 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1fr8 n PRO 357 N 8.66 1.89 -3.65 1.20 -0.04 -1.26 -5.03 135.00 136.77 1fr8 n PRO 357 Ca 0.36 0.68 -0.20 0.00 -0.04 0.00 0.00 63.50 64.29 1fr8 n PRO 357 Cb 0.40 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1fr8 n PRO 357 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1fr8 s GLN 358 N -2.41 3.10 -0.18 0.54 -0.44 -1.26 -4.85 119.66 114.16 1fr8 s GLN 358 Ca 0.64 -1.02 -0.14 0.00 -2.50 0.00 0.00 55.36 52.34 1fr8 s GLN 358 Cb -0.47 -2.76 -0.04 0.00 -1.64 0.00 0.00 33.01 28.09 1fr8 s GLN 358 CO 0.56 0.15 0.33 0.50 0.50 0.00 0.00 175.29 177.33 1fr8 s ARG 359 N -4.09 4.21 0.02 1.67 3.52 -1.26 -5.05 118.95 117.97 1fr8 s ARG 359 Ca 0.42 0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.82 1fr8 s ARG 359 Cb -0.09 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1fr8 s ARG 359 CO 0.30 0.11 1.12 -0.06 -0.81 0.00 0.00 175.30 175.95 1fr8 s PHE 360 N 0.86 3.49 -0.98 5.12 0.40 -1.26 -4.98 117.98 120.63 1fr8 s PHE 360 Ca 0.17 1.44 -0.14 0.00 -0.60 0.00 0.00 56.93 57.79 1fr8 s PHE 360 Cb -0.14 -3.31 0.20 0.00 0.51 0.00 0.00 43.02 40.28 1fr8 s PHE 360 CO 0.06 -0.80 1.05 0.34 0.70 0.00 0.00 175.22 176.56 1fr8 s ASP 361 N 1.10 6.89 -0.31 1.36 2.15 -1.26 -4.79 116.67 121.81 1fr8 s ASP 361 Ca 0.56 -2.74 0.16 0.00 0.43 0.00 0.00 52.55 50.95 1fr8 s ASP 361 Cb -0.25 -2.30 0.47 0.00 -0.30 0.00 0.00 42.92 40.54 1fr8 s ASP 361 CO 0.27 -0.68 1.08 0.54 -0.17 0.00 0.00 175.17 176.21 1fr8 n ARG 362 N 4.73 2.18 -0.13 4.34 1.74 -1.26 -4.88 116.66 123.38 1fr8 n ARG 362 Ca 0.23 -3.72 -0.11 0.00 -0.77 0.00 0.00 57.85 53.47 1fr8 n ARG 362 Cb 0.45 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1fr8 n ARG 362 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1fr8 h ILE 363 N 3.67 1.27 -0.28 0.55 2.04 -1.97 -0.39 117.51 122.41 1fr8 h ILE 363 Ca 0.04 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1fr8 h ILE 363 Cb 1.23 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1fr8 h ILE 363 CO 0.50 0.49 0.04 0.00 0.00 0.00 0.00 178.15 179.18 1fr8 h ALA 364 N 0.88 0.37 -0.69 1.87 0.00 -2.00 -2.46 119.26 117.22 1fr8 h ALA 364 Ca 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1fr8 h ALA 364 Cb 0.85 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1fr8 h ALA 364 CO 0.07 0.06 0.40 1.25 0.00 0.00 0.00 179.25 181.03 1fr8 h HIS 365 N 0.27 0.74 0.22 0.00 6.17 -1.88 -0.60 115.15 120.06 1fr8 h HIS 365 Ca 0.08 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 1fr8 h HIS 365 Cb 0.34 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.04 1fr8 h HIS 365 CO 0.02 0.37 -0.10 1.15 0.71 0.00 0.00 177.93 180.07 1fr8 h THR 366 N 0.74 0.86 -0.81 6.26 2.02 -0.91 0.13 112.91 121.20 1fr8 h THR 366 Ca 0.30 -0.55 0.17 0.00 0.77 0.00 0.00 66.41 67.11 1fr8 h THR 366 Cb 0.16 1.18 -0.11 0.00 -1.74 0.00 0.00 68.15 67.64 1fr8 h THR 366 CO -0.17 0.12 0.33 0.50 0.37 0.00 0.00 175.52 176.68 1fr8 h LYS 367 N -0.57 0.42 -0.24 6.66 3.64 -1.29 0.41 116.57 125.60 1fr8 h LYS 367 Ca -0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1fr8 h LYS 367 Cb 0.42 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1fr8 h LYS 367 CO 0.05 0.28 0.04 1.49 -2.27 0.00 0.00 179.45 179.04 1fr8 h GLU 368 N 0.44 0.39 0.00 1.90 4.57 -0.88 -3.37 114.58 117.62 1fr8 h GLU 368 Ca 0.47 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1fr8 h GLU 368 Cb 0.78 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1fr8 h GLU 368 CO -0.45 0.52 -1.84 0.25 -1.18 0.00 0.00 179.01 176.30 1fr8 n THR 369 N -4.71 0.00 -0.36 0.32 -2.24 0.43 -4.68 114.28 103.03 1fr8 n THR 369 Ca -0.04 -0.42 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1fr8 n THR 369 Cb 0.19 0.16 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1fr8 n THR 369 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1fr8 n MET 370 N -2.14 -0.14 0.26 -0.78 0.00 0.14 -0.83 117.12 113.63 1fr8 n MET 370 Ca -0.03 1.52 0.17 0.00 0.00 0.00 0.00 57.70 59.36 1fr8 n MET 370 Cb 0.53 -2.26 0.67 0.00 0.00 0.00 0.00 33.22 32.16 1fr8 n MET 370 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1fr8 h LEU 371 N 0.00 0.00 0.00 -0.89 3.38 -1.83 -3.26 115.31 112.71 1fr8 h LEU 371 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1fr8 h LEU 371 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1fr8 h LEU 371 CO -0.99 0.00 -0.62 -1.54 0.09 0.00 0.00 178.44 175.37 1fr8 n SER 372 N -3.01 0.70 -4.07 -0.43 3.41 -0.01 -4.88 113.62 105.33 1fr8 n SER 372 Ca 0.01 -0.70 -0.32 0.00 -0.26 0.00 0.00 58.87 57.60 1fr8 n SER 372 Cb 0.30 1.05 -0.15 0.00 -0.26 0.00 0.00 64.21 65.15 1fr8 n SER 372 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fr8 s ASP 373 N -2.18 4.60 0.00 4.04 2.15 -0.34 -4.54 116.67 120.41 1fr8 s ASP 373 Ca 0.03 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1fr8 s ASP 373 Cb 0.08 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 1fr8 s ASP 373 CO 0.47 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1fr8 n GLY 374 N 4.42 -0.57 0.27 2.66 0.00 -1.26 -4.24 105.19 106.47 1fr8 n GLY 374 Ca -0.09 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.30 1fr8 n GLY 374 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fr8 h LEU 375 N 0.00 -0.37 -1.52 0.99 3.38 -1.42 -0.02 115.31 116.35 1fr8 h LEU 375 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1fr8 h LEU 375 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1fr8 h LEU 375 CO 0.00 -0.18 0.00 -0.55 0.09 0.00 0.00 178.44 177.80 1fr8 h ASN 376 N 0.09 0.00 -0.27 -0.43 7.08 -1.92 -2.33 115.58 117.80 1fr8 h ASN 376 Ca 0.39 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.61 1fr8 h ASN 376 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.91 1fr8 h ASN 376 CO -0.65 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 173.16 1fr8 n SER 377 N -2.76 2.77 -4.64 6.14 3.41 -0.14 -5.01 113.62 113.38 1fr8 n SER 377 Ca 0.00 -1.84 -0.43 0.00 -0.26 0.00 0.00 58.87 56.35 1fr8 n SER 377 Cb 0.21 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1fr8 n SER 377 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fr8 s LEU 378 N -1.06 4.07 -0.02 1.04 2.96 -0.49 -4.85 118.68 120.32 1fr8 s LEU 378 Ca 0.24 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.93 1fr8 s LEU 378 Cb 0.14 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 1fr8 s LEU 378 CO 0.19 -1.02 -0.14 0.42 -1.32 0.00 0.00 176.35 174.47 1fr8 s THR 379 N 4.37 1.15 -0.09 3.68 -4.23 -1.26 -5.06 115.64 114.19 1fr8 s THR 379 Ca 0.66 -0.60 -0.32 0.00 -1.18 0.00 0.00 61.69 60.25 1fr8 s THR 379 Cb -0.25 -0.97 0.12 0.00 1.34 0.00 0.00 72.50 72.74 1fr8 s THR 379 CO 0.25 0.33 1.11 -0.72 -0.54 0.00 0.00 174.62 175.04 1fr8 s TYR 380 N -0.17 -0.18 -0.15 3.99 -0.85 -1.26 -4.85 117.35 113.88 1fr8 s TYR 380 Ca 0.02 0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.67 1fr8 s TYR 380 Cb -0.07 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.81 1fr8 s TYR 380 CO 0.00 -0.36 -0.21 -1.64 -1.52 0.00 0.00 175.55 171.83 1fr8 s MET 381 N -2.69 3.05 -0.62 -3.49 -1.94 -0.66 -4.97 119.30 107.98 1fr8 s MET 381 Ca 0.09 -0.84 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 1fr8 s MET 381 Cb -0.00 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.38 1fr8 s MET 381 CO -0.05 -0.03 1.36 0.08 -0.01 0.00 0.00 175.02 176.37 1fr8 s VAL 382 N 0.85 3.78 0.19 -6.03 1.01 -1.26 -0.52 120.40 118.43 1fr8 s VAL 382 Ca -0.06 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1fr8 s VAL 382 Cb -0.15 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1fr8 s VAL 382 CO -0.02 -1.38 1.52 -0.07 0.00 0.00 0.00 175.10 175.14 1fr8 h LEU 383 N 13.08 0.63 -7.00 3.92 3.38 -1.47 -3.47 115.31 124.37 1fr8 h LEU 383 Ca -0.27 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.44 1fr8 h LEU 383 Cb 1.08 -0.18 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 1fr8 h LEU 383 CO 1.21 1.03 0.47 -0.70 0.09 0.00 0.00 178.44 180.54 1fr8 s GLU 384 N -4.06 0.74 -0.10 1.13 2.12 -1.00 -4.99 118.70 112.55 1fr8 s GLU 384 Ca -0.07 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1fr8 s GLU 384 Cb 0.11 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.88 1fr8 s GLU 384 CO 0.84 -0.26 -0.07 0.08 -0.54 0.00 0.00 175.26 175.31 1fr8 s VAL 385 N -1.67 0.93 -0.15 3.70 1.01 -1.26 -1.10 120.40 121.86 1fr8 s VAL 385 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1fr8 s VAL 385 Cb -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1fr8 s VAL 385 CO 0.00 0.34 -0.17 -1.10 0.00 0.00 0.00 175.10 174.17 1fr8 s GLN 386 N 1.50 2.60 -1.14 2.72 -0.21 0.21 -4.98 119.66 120.36 1fr8 s GLN 386 Ca 0.00 -0.69 -0.14 0.00 0.02 0.00 0.00 55.36 54.56 1fr8 s GLN 386 Cb -0.13 -2.25 0.18 0.00 1.00 0.00 0.00 33.01 31.81 1fr8 s GLN 386 CO -0.05 -0.15 1.32 1.03 -2.12 0.00 0.00 175.29 175.32 1fr8 s ARG 387 N 1.20 4.02 0.90 2.91 1.81 -1.26 -0.45 118.95 128.07 1fr8 s ARG 387 Ca 0.00 -2.55 -0.11 0.00 -1.72 0.00 0.00 55.73 51.35 1fr8 s ARG 387 Cb -0.14 -4.95 0.13 0.00 -0.45 0.00 0.00 34.95 29.54 1fr8 s ARG 387 CO -0.08 -1.68 1.09 0.71 -0.68 0.00 0.00 175.30 174.67 1fr8 s TYR 388 N 1.28 2.29 0.19 -0.53 1.51 -0.72 -4.28 117.35 117.10 1fr8 s TYR 388 Ca 0.39 1.28 -0.12 0.00 -1.01 0.00 0.00 57.07 57.61 1fr8 s TYR 388 Cb -0.04 -3.16 0.13 0.00 -0.11 0.00 0.00 41.96 38.77 1fr8 s TYR 388 CO -0.03 -2.41 1.84 -1.35 -1.11 0.00 0.00 175.55 172.49 1fr8 h PRO 389 N -1.56 0.75 -0.01 -1.71 0.11 -1.94 0.78 132.00 128.42 1fr8 h PRO 389 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1fr8 h PRO 389 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1fr8 h PRO 389 CO 0.54 0.50 -0.49 1.28 -0.21 0.00 0.00 178.00 179.62 1fr8 n LEU 390 N -4.70 1.31 -3.74 2.35 4.77 -1.26 -2.41 117.00 113.31 1fr8 n LEU 390 Ca 0.05 -0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 1fr8 n LEU 390 Cb 0.06 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1fr8 n LEU 390 CO 0.34 0.26 0.80 -0.72 -1.33 0.00 0.00 177.39 176.74 1fr8 s TYR 391 N -2.64 -0.09 -0.12 -1.77 -0.85 -1.22 -3.73 117.35 106.93 1fr8 s TYR 391 Ca 0.18 -0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1fr8 s TYR 391 Cb 0.18 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 43.12 1fr8 s TYR 391 CO 0.62 -0.72 -0.04 0.99 -1.52 0.00 0.00 175.55 174.87 1fr8 s THR 392 N -2.98 3.88 -0.24 -3.49 2.01 -0.25 -1.75 115.64 112.82 1fr8 s THR 392 Ca 0.14 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1fr8 s THR 392 Cb -0.00 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1fr8 s THR 392 CO 0.01 0.54 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.67 1fr8 s LYS 393 N -0.18 3.00 -0.30 4.92 2.20 0.40 -0.08 119.74 129.70 1fr8 s LYS 393 Ca 0.03 -0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1fr8 s LYS 393 Cb -0.13 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1fr8 s LYS 393 CO 0.02 -0.33 0.01 0.42 -0.36 0.00 0.00 175.35 175.12 1fr8 s ILE 394 N 1.37 3.11 -0.06 5.43 1.01 -0.56 -0.62 121.20 130.88 1fr8 s ILE 394 Ca 0.02 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.17 1fr8 s ILE 394 Cb -0.16 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1fr8 s ILE 394 CO -0.05 -0.08 0.56 -0.89 0.00 0.00 0.00 174.94 174.47 1fr8 s THR 395 N 1.29 5.05 0.03 2.92 2.01 -0.26 -1.12 115.64 125.56 1fr8 s THR 395 Ca -0.04 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.08 1fr8 s THR 395 Cb -0.19 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1fr8 s THR 395 CO -0.01 0.36 0.00 0.68 -0.69 0.00 0.00 174.62 174.97 1fr8 s VAL 396 N 0.25 0.15 -0.25 3.82 -7.23 -0.67 -1.15 120.40 115.33 1fr8 s VAL 396 Ca 0.30 -1.23 -0.09 0.00 -1.81 0.00 0.00 61.98 59.14 1fr8 s VAL 396 Cb -0.17 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1fr8 s VAL 396 CO 0.14 -0.68 0.13 -0.62 -0.31 0.00 0.00 175.10 173.76 1fr8 s ASP 397 N -2.07 5.72 0.00 4.85 3.68 0.32 -1.38 116.67 127.79 1fr8 s ASP 397 Ca -0.06 -0.02 0.01 0.00 2.13 0.00 0.00 52.55 54.60 1fr8 s ASP 397 Cb -0.02 -2.03 0.01 0.00 -1.45 0.00 0.00 42.92 39.43 1fr8 s ASP 397 CO -0.05 0.02 0.93 2.30 0.13 0.00 0.00 175.17 178.51 1fr8 n ILE 398 N 4.59 0.84 -0.36 4.11 -5.35 -1.26 -1.65 119.36 120.28 1fr8 n ILE 398 Ca -0.15 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 1fr8 n ILE 398 Cb 0.52 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1fr8 n ILE 398 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fr8 n GLY 399 N -0.37 -1.76 3.23 3.28 0.00 -1.26 -4.97 105.19 103.34 1fr8 n GLY 399 Ca 0.01 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1fr8 n GLY 399 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fr8 s THR 400 N 0.00 0.78 0.41 2.61 -1.32 -1.26 -4.96 115.64 111.89 1fr8 s THR 400 Ca 0.00 -1.99 -0.10 0.00 -1.21 0.00 0.00 61.69 58.40 1fr8 s THR 400 Cb 0.00 -1.99 -0.06 0.00 -1.51 0.00 0.00 72.50 68.94 1fr8 s THR 400 CO 0.00 -0.60 0.76 -2.16 -2.21 0.00 0.00 174.62 170.41 1fr8 s PRO 401 N -3.87 3.76 0.00 7.08 0.04 -1.26 -5.15 135.00 135.60 1fr8 s PRO 401 Ca 0.20 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1fr8 s PRO 401 Cb 0.05 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1fr8 s PRO 401 CO 0.02 -0.04 0.00 -1.13 0.04 0.00 0.00 177.00 175.89