#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h42 s ILE 154 N 0.00 4.31 0.33 -1.33 -1.09 -1.26 -5.08 121.20 117.08 3h42 s ILE 154 Ca 0.00 -0.19 -0.28 0.00 -2.23 0.00 0.00 60.65 57.95 3h42 s ILE 154 Cb 0.00 -2.96 -0.13 0.00 -1.58 0.00 0.00 42.46 37.79 3h42 s ILE 154 CO 0.00 0.42 1.28 -2.65 -1.23 0.00 0.00 174.94 172.76 3h42 n PRO 155 N 4.13 2.06 -0.13 2.79 -0.02 -1.26 -4.80 135.00 137.77 3h42 n PRO 155 Ca -0.17 0.72 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 3h42 n PRO 155 Cb 0.52 -2.29 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 3h42 n PRO 155 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3h42 h TRP 156 N 2.69 0.57 -0.02 6.00 5.08 -1.98 -1.54 115.95 126.76 3h42 h TRP 156 Ca -0.45 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.36 3h42 h TRP 156 Cb 1.29 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 3h42 h TRP 156 CO 0.51 0.28 -0.76 -2.95 -1.28 0.00 0.00 178.44 174.24 3h42 h ASN 157 N 0.54 0.18 0.09 0.11 -1.07 -1.92 -0.62 115.58 112.89 3h42 h ASN 157 Ca 0.30 -0.13 -0.19 0.00 0.07 0.00 0.00 56.30 56.35 3h42 h ASN 157 Cb 0.45 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 36.65 3h42 h ASN 157 CO -0.09 0.87 -0.71 -0.07 0.07 0.00 0.00 177.43 177.49 3h42 h LEU 158 N 0.09 0.66 -1.00 6.14 3.38 -1.66 -2.95 115.31 119.96 3h42 h LEU 158 Ca -0.02 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3h42 h LEU 158 Cb 1.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3h42 h LEU 158 CO 0.11 1.17 -0.05 -0.08 0.09 0.00 0.00 178.44 179.68 3h42 h GLU 159 N 0.39 0.67 -0.36 1.13 4.81 -1.28 -3.19 114.58 116.76 3h42 h GLU 159 Ca -0.03 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 3h42 h GLU 159 Cb 1.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3h42 h GLU 159 CO 0.13 0.72 -0.29 -0.09 -0.73 0.00 0.00 179.01 178.75 3h42 h ARG 160 N 0.62 0.76 -0.00 1.92 9.65 -0.95 -2.35 114.38 124.04 3h42 h ARG 160 Ca 0.12 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3h42 h ARG 160 Cb 0.46 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 3h42 h ARG 160 CO 0.02 0.95 -0.11 0.44 2.80 0.00 0.00 179.97 184.07 3h42 n ILE 161 N -4.08 0.00 -2.97 1.20 -5.35 -1.15 -4.74 119.36 102.26 3h42 n ILE 161 Ca -0.01 -0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 3h42 n ILE 161 Cb 0.47 -0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 37.99 3h42 n ILE 161 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3h42 s THR 162 N -2.97 4.85 0.92 7.28 2.01 -0.88 0.08 115.64 126.92 3h42 s THR 162 Ca 0.14 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.28 3h42 s THR 162 Cb 0.19 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 68.75 3h42 s THR 162 CO 0.56 -0.14 1.11 -2.16 -0.69 0.00 0.00 174.62 173.30 3h42 s PRO 163 N 2.82 1.07 0.08 4.92 0.04 -1.26 -4.96 135.00 137.71 3h42 s PRO 163 Ca 0.31 0.45 -0.36 0.00 0.04 0.00 0.00 61.00 61.45 3h42 s PRO 163 Cb -0.15 -1.82 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 3h42 s PRO 163 CO 0.10 -2.28 1.57 -1.35 0.04 0.00 0.00 177.00 175.09 3h42 h PRO 164 N -1.56 -1.01 -4.36 0.56 0.11 -1.97 -3.33 132.00 120.44 3h42 h PRO 164 Ca -0.51 0.07 -0.76 0.00 0.11 0.00 0.00 66.00 64.91 3h42 h PRO 164 Cb 1.32 0.23 -0.21 0.00 0.11 0.00 0.00 31.00 32.45 3h42 h PRO 164 CO 0.60 -0.67 1.00 0.50 -0.21 0.00 0.00 178.00 179.21 3h42 s ARG 165 N -5.92 4.09 0.20 1.05 3.00 -1.26 -5.17 118.95 114.94 3h42 s ARG 165 Ca -0.18 -2.74 0.06 0.00 -1.00 0.00 0.00 55.73 51.86 3h42 s ARG 165 Cb 0.04 -4.88 -0.04 0.00 0.00 0.00 0.00 34.95 30.08 3h42 s ARG 165 CO 0.61 -1.58 0.17 -0.47 0.00 0.00 0.00 175.30 174.03 3h42 s TYR 166 N 0.68 3.16 0.00 5.12 6.04 -1.25 -4.54 117.35 126.56 3h42 s TYR 166 Ca 0.38 -0.05 0.00 0.00 0.04 0.00 0.00 57.07 57.44 3h42 s TYR 166 Cb -0.05 -1.48 0.00 0.00 -1.04 0.00 0.00 41.96 39.39 3h42 s TYR 166 CO -0.03 0.52 0.00 0.98 -1.54 0.00 0.00 175.55 175.47 3h42 n TYR 171 N -0.71 0.00 0.00 4.97 9.36 -1.26 -5.11 117.16 124.41 3h42 n TYR 171 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 3h42 n TYR 171 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3h42 n TYR 171 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3h42 n LEU 179 N 0.00 0.00 -4.81 2.98 0.00 -1.26 -4.90 117.00 109.01 3h42 n LEU 179 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 3h42 n LEU 179 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 3h42 n LEU 179 CO 0.00 0.00 -0.22 0.54 0.00 0.00 0.00 177.39 177.71 3h42 s VAL 180 N -0.25 5.00 -0.11 1.96 0.11 -1.26 -4.37 120.40 121.47 3h42 s VAL 180 Ca 0.00 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3h42 s VAL 180 Cb 0.00 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 3h42 s VAL 180 CO 0.00 0.53 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.52 3h42 s GLU 181 N -1.22 3.23 -0.25 1.54 2.56 -0.93 -4.40 118.70 119.23 3h42 s GLU 181 Ca 0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 54.97 54.48 3h42 s GLU 181 Cb -0.12 -2.69 -0.03 0.00 2.00 0.00 0.00 34.13 33.29 3h42 s GLU 181 CO 0.07 0.38 0.08 0.08 -0.56 0.00 0.00 175.26 175.31 3h42 s VAL 182 N -0.06 4.35 -0.06 3.70 1.01 -0.88 -0.37 120.40 128.09 3h42 s VAL 182 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3h42 s VAL 182 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3h42 s VAL 182 CO 0.03 0.31 0.40 -0.31 0.00 0.00 0.00 175.10 175.54 3h42 s TYR 183 N 1.62 3.63 -0.21 5.22 1.51 0.24 -1.24 117.35 128.13 3h42 s TYR 183 Ca 0.06 0.90 -0.02 0.00 -1.01 0.00 0.00 57.07 57.00 3h42 s TYR 183 Cb -0.15 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.35 3h42 s TYR 183 CO 0.04 0.47 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.67 3h42 s LEU 184 N -0.41 2.66 -0.44 -1.29 2.96 -0.30 0.01 118.68 121.87 3h42 s LEU 184 Ca 0.23 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.46 3h42 s LEU 184 Cb -0.16 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.95 3h42 s LEU 184 CO 0.11 -0.03 0.33 -0.76 -1.32 0.00 0.00 176.35 174.68 3h42 s LEU 185 N 1.39 5.31 0.00 -0.68 1.02 -0.95 0.12 118.68 124.90 3h42 s LEU 185 Ca 0.05 -1.18 0.00 0.00 0.02 0.00 0.00 54.13 53.02 3h42 s LEU 185 Cb -0.14 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.93 3h42 s LEU 185 CO -0.07 -0.54 0.00 -0.67 0.02 0.00 0.00 176.35 175.09 3h42 n ASP 186 N 5.13 0.00 -4.20 2.29 2.03 -0.75 -4.17 116.55 116.89 3h42 n ASP 186 Ca -0.12 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.90 3h42 n ASP 186 Cb 0.45 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.04 3h42 n ASP 186 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3h42 s THR 187 N -1.08 1.86 0.86 5.18 -4.23 -1.26 -1.18 115.64 115.79 3h42 s THR 187 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 3h42 s THR 187 Cb 0.00 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.19 3h42 s THR 187 CO 0.00 0.00 1.13 -1.54 -0.54 0.00 0.00 174.62 173.67 3h42 n SER 188 N -4.10 0.55 -4.39 3.99 3.41 -1.26 -4.63 113.62 107.19 3h42 n SER 188 Ca 0.12 0.50 -0.20 0.00 -0.26 0.00 0.00 58.87 59.03 3h42 n SER 188 Cb 0.59 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.97 3h42 n SER 188 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3h42 s ILE 189 N -2.37 1.89 -0.80 -1.33 -4.36 -1.26 -4.17 121.20 108.80 3h42 s ILE 189 Ca 0.70 -2.24 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 3h42 s ILE 189 Cb -0.26 -2.16 0.17 0.00 1.25 0.00 0.00 42.46 41.45 3h42 s ILE 189 CO 0.55 -0.51 0.85 -1.58 0.24 0.00 0.00 174.94 174.49 3h42 s GLN 190 N -3.63 3.47 0.05 0.37 2.00 -1.26 -4.90 119.66 115.76 3h42 s GLN 190 Ca 0.25 -2.00 0.24 0.00 -2.00 0.00 0.00 55.36 51.85 3h42 s GLN 190 Cb -0.01 -4.54 0.98 0.00 0.80 0.00 0.00 33.01 30.24 3h42 s GLN 190 CO 0.09 -1.49 1.76 -1.13 -0.50 0.00 0.00 175.29 174.02 3h42 n SER 191 N 5.26 0.16 -0.02 6.67 3.41 -1.26 -2.42 113.62 125.43 3h42 n SER 191 Ca 0.11 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.39 3h42 n SER 191 Cb 0.46 -0.56 0.67 0.00 -0.26 0.00 0.00 64.21 64.52 3h42 n SER 191 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h42 n ASP 192 N -1.66 0.10 -4.77 4.04 8.00 -1.26 -3.84 116.55 117.17 3h42 n ASP 192 Ca 0.05 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.11 3h42 n ASP 192 Cb 0.29 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3h42 n ASP 192 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3h42 s HIS 193 N -2.69 2.81 0.50 1.24 2.46 -1.01 -4.70 115.29 113.90 3h42 s HIS 193 Ca 0.24 1.40 0.33 0.00 0.47 0.00 0.00 55.06 57.50 3h42 s HIS 193 Cb 0.20 -3.69 1.81 0.00 -0.13 0.00 0.00 32.58 30.76 3h42 s HIS 193 CO 0.49 -2.14 2.20 -0.09 -2.47 0.00 0.00 174.74 172.73 3h42 h ARG 194 N 2.72 0.00 -0.00 2.88 1.12 -0.80 0.21 114.38 120.50 3h42 h ARG 194 Ca -0.50 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.25 3h42 h ARG 194 Cb 1.25 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.19 3h42 h ARG 194 CO 0.63 0.04 -0.58 0.93 -3.11 0.00 0.00 179.97 177.88 3h42 h GLU 195 N 0.00 0.00 0.00 0.20 4.39 -1.90 -3.37 114.58 113.91 3h42 h GLU 195 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3h42 h GLU 195 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3h42 h GLU 195 CO 0.01 0.58 0.00 0.44 -1.16 0.00 0.00 179.01 178.88 3h42 n ILE 196 N -3.85 0.00 -1.66 3.13 -5.35 -0.62 -1.69 119.36 109.32 3h42 n ILE 196 Ca -0.01 -0.31 -0.46 0.00 -0.27 0.00 0.00 62.75 61.70 3h42 n ILE 196 Cb 0.59 1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 3h42 n ILE 196 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3h42 n GLU 197 N -0.44 1.92 -0.30 6.28 2.13 0.63 -1.14 120.64 129.72 3h42 n GLU 197 Ca 0.00 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.51 3h42 n GLU 197 Cb 0.03 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.38 3h42 n GLU 197 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h42 n GLY 198 N 2.44 2.25 0.01 8.31 0.00 -1.26 -4.75 105.19 112.20 3h42 n GLY 198 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3h42 n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h42 n ARG 199 N -2.00 0.78 -4.57 1.61 5.12 -0.29 -4.96 116.66 112.35 3h42 n ARG 199 Ca 0.00 -0.06 -0.33 0.00 -1.93 0.00 0.00 57.85 55.53 3h42 n ARG 199 Cb 0.00 -1.20 -0.13 0.00 -1.16 0.00 0.00 32.46 29.97 3h42 n ARG 199 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3h42 s VAL 200 N -2.50 3.56 -0.15 1.55 -7.23 -1.00 -1.61 120.40 113.03 3h42 s VAL 200 Ca -0.03 -0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 59.59 3h42 s VAL 200 Cb 0.05 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3h42 s VAL 200 CO 0.34 0.52 0.06 -0.32 -0.31 0.00 0.00 175.10 175.39 3h42 s MET 201 N 0.21 3.67 -0.45 4.82 1.75 0.73 -4.95 119.30 125.08 3h42 s MET 201 Ca -0.05 -0.33 -0.26 0.00 -1.25 0.00 0.00 55.69 53.80 3h42 s MET 201 Cb -0.14 -3.11 0.03 0.00 2.84 0.00 0.00 34.83 34.45 3h42 s MET 201 CO 0.04 0.44 0.97 0.08 -0.65 0.00 0.00 175.02 175.90 3h42 s VAL 202 N -0.11 4.43 0.96 10.11 1.01 -1.26 -1.53 120.40 134.00 3h42 s VAL 202 Ca 0.07 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 3h42 s VAL 202 Cb -0.12 -4.46 0.17 0.00 0.00 0.00 0.00 36.38 31.96 3h42 s VAL 202 CO 0.01 -0.84 1.09 0.42 0.00 0.00 0.00 175.10 175.78 3h42 s THR 203 N 3.87 2.39 -0.90 3.92 -4.23 -0.99 -4.92 115.64 114.79 3h42 s THR 203 Ca 0.40 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 61.12 3h42 s THR 203 Cb -0.10 -2.53 0.45 0.00 1.34 0.00 0.00 72.50 71.67 3h42 s THR 203 CO 0.27 -0.16 1.25 -0.90 -0.54 0.00 0.00 174.62 174.53 3h42 n ASP 204 N -4.12 3.42 -4.69 3.99 5.68 -1.26 -4.87 116.55 114.69 3h42 n ASP 204 Ca 0.06 -2.41 -0.42 0.00 -0.50 0.00 0.00 54.79 51.51 3h42 n ASP 204 Cb 0.55 -0.53 -0.03 0.00 -1.14 0.00 0.00 41.12 39.97 3h42 n ASP 204 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3h42 s PHE 205 N -1.88 3.45 -0.19 2.11 2.19 -1.26 -5.03 117.98 117.37 3h42 s PHE 205 Ca 0.31 1.50 -0.12 0.00 0.33 0.00 0.00 56.93 58.95 3h42 s PHE 205 Cb 0.22 -3.25 0.06 0.00 -1.31 0.00 0.00 43.02 38.74 3h42 s PHE 205 CO 0.12 -0.52 0.47 -1.83 1.83 0.00 0.00 175.22 175.29 3h42 s GLU 206 N 1.84 0.49 -0.31 10.12 -1.05 -1.26 -2.20 118.70 126.34 3h42 s GLU 206 Ca 0.51 0.82 -0.00 0.00 -0.15 0.00 0.00 54.97 56.15 3h42 s GLU 206 Cb -0.21 0.09 0.13 0.00 -0.44 0.00 0.00 34.13 33.70 3h42 s GLU 206 CO 0.21 -0.13 0.27 1.21 0.95 0.00 0.00 175.26 177.77 3h42 s ASN 207 N 1.10 2.04 0.03 0.83 2.47 -0.62 -5.02 114.94 115.78 3h42 s ASN 207 Ca -0.07 -1.09 0.01 0.00 0.42 0.00 0.00 52.86 52.14 3h42 s ASN 207 Cb -0.06 0.29 -0.02 0.00 -1.45 0.00 0.00 41.25 40.00 3h42 s ASN 207 CO -0.10 -0.37 -0.06 0.68 -3.72 0.00 0.00 177.10 173.53 3h42 s VAL 208 N 2.07 0.40 0.62 -5.21 -7.23 -1.26 -4.49 120.40 105.30 3h42 s VAL 208 Ca 0.11 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 3h42 s VAL 208 Cb -0.15 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 3h42 s VAL 208 CO -0.27 -0.42 1.12 -2.16 -0.31 0.00 0.00 175.10 173.07 3h42 s PRO 209 N -1.53 2.97 0.32 4.82 0.04 -1.26 -5.00 135.00 135.37 3h42 s PRO 209 Ca -0.12 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 3h42 s PRO 209 Cb -0.10 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 3h42 s PRO 209 CO -0.00 -1.13 1.11 -1.91 0.04 0.00 0.00 177.00 175.11 3h42 n GLU 210 N -2.03 1.63 -1.07 4.56 2.13 -1.26 -4.72 120.64 119.89 3h42 n GLU 210 Ca 0.11 0.57 -0.32 0.00 0.66 0.00 0.00 57.16 58.18 3h42 n GLU 210 Cb 0.52 -2.04 0.13 0.00 0.27 0.00 0.00 31.44 30.31 3h42 n GLU 210 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3h42 s GLU 211 N -1.73 1.64 -0.58 5.31 8.01 -1.26 -4.94 118.70 125.14 3h42 s GLU 211 Ca 0.58 1.58 -0.28 0.00 0.01 0.00 0.00 54.97 56.87 3h42 s GLU 211 Cb -0.64 -1.79 0.01 0.00 -4.31 0.00 0.00 34.13 27.40 3h42 s GLU 211 CO 0.60 -2.18 1.47 0.34 0.01 0.00 0.00 175.26 175.51 3h42 s ASP 212 N -2.52 6.00 0.57 -0.19 2.15 -1.26 -4.90 116.67 116.53 3h42 s ASP 212 Ca 0.69 0.23 0.30 0.00 0.43 0.00 0.00 52.55 54.21 3h42 s ASP 212 Cb -0.24 -2.54 1.70 0.00 -0.30 0.00 0.00 42.92 41.53 3h42 s ASP 212 CO 0.53 -1.82 2.17 1.23 -0.17 0.00 0.00 175.17 177.11 3h42 h GLY 213 N 13.57 0.00 2.00 2.66 0.00 -1.92 -2.20 103.07 117.19 3h42 h GLY 213 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3h42 h GLY 213 CO 1.19 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 176.82 3h42 h THR 214 N 0.00 0.00 0.00 4.70 1.35 -2.04 -2.91 112.91 114.00 3h42 h THR 214 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3h42 h THR 214 Cb 0.18 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3h42 h THR 214 CO 0.01 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.82 3h42 n ARG 215 N -2.47 2.08 -3.78 4.72 1.74 -0.86 -5.03 116.66 113.06 3h42 n ARG 215 Ca 0.02 -1.23 -0.36 0.00 -0.77 0.00 0.00 57.85 55.50 3h42 n ARG 215 Cb 0.27 -0.95 -0.13 0.00 -1.02 0.00 0.00 32.46 30.64 3h42 n ARG 215 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3h42 s PHE 216 N -0.74 3.08 -0.36 -1.55 5.99 -1.01 -5.04 117.98 118.35 3h42 s PHE 216 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 56.93 56.54 3h42 s PHE 216 Cb 0.00 -2.22 0.10 0.00 0.00 0.00 0.00 43.02 40.90 3h42 s PHE 216 CO 0.00 -0.35 0.07 -1.01 -0.00 0.00 0.00 175.22 173.94 3h42 s HIS 217 N 1.55 3.67 0.29 10.12 3.76 -1.26 -4.91 115.29 128.52 3h42 s HIS 217 Ca 0.06 -3.01 0.02 0.00 -0.15 0.00 0.00 55.06 51.98 3h42 s HIS 217 Cb -0.15 -2.90 0.57 0.00 1.11 0.00 0.00 32.58 31.21 3h42 s HIS 217 CO 0.03 -0.93 1.85 -0.09 -0.85 0.00 0.00 174.74 174.76 3h42 h ARG 218 N 7.50 0.96 0.00 1.40 9.65 -1.96 -0.96 114.38 130.96 3h42 h ARG 218 Ca -0.05 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 3h42 h ARG 218 Cb 1.01 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3h42 h ARG 218 CO 0.54 0.63 -0.25 1.96 2.80 0.00 0.00 179.97 185.66 3h42 h GLN 219 N 0.99 0.00 0.00 0.20 4.20 -2.05 -2.95 115.11 115.50 3h42 h GLN 219 Ca 0.47 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.04 3h42 h GLN 219 Cb 0.45 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 3h42 h GLN 219 CO -0.23 0.25 -1.62 0.00 -0.67 0.00 0.00 178.83 176.55 3h42 n ALA 220 N -2.34 2.11 -1.88 3.87 0.00 -0.46 -4.97 120.51 116.85 3h42 n ALA 220 Ca -0.01 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 3h42 n ALA 220 Cb 0.35 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3h42 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h42 s SER 221 N -5.44 6.93 -0.75 0.00 0.15 -0.65 -4.99 113.70 108.96 3h42 s SER 221 Ca -0.05 2.47 -0.12 0.00 0.70 0.00 0.00 55.95 58.96 3h42 s SER 221 Cb 0.09 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.97 3h42 s SER 221 CO 0.83 -0.45 0.66 -0.54 1.20 0.00 0.00 173.24 174.93 3h42 s LYS 222 N -0.94 3.28 0.55 5.44 1.02 -1.26 -4.93 119.74 122.90 3h42 s LYS 222 Ca 0.52 -2.39 0.33 0.00 0.02 0.00 0.00 55.97 54.45 3h42 s LYS 222 Cb -0.37 -4.25 1.45 0.00 -0.52 0.00 0.00 37.83 34.15 3h42 s LYS 222 CO 0.44 -1.26 2.02 0.00 -0.92 0.00 0.00 175.35 175.62 3h42 n ASP 224 N -3.20 1.36 -0.06 0.00 8.00 -1.26 -4.12 116.55 117.27 3h42 n ASP 224 Ca -0.00 -1.09 -0.08 0.00 0.71 0.00 0.00 54.79 54.33 3h42 n ASP 224 Cb 0.29 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3h42 n ASP 224 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3h42 h SER 225 N 1.54 0.02 -0.03 -2.24 0.87 -1.78 -1.55 113.55 110.37 3h42 h SER 225 Ca 0.00 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3h42 h SER 225 Cb 0.60 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3h42 h SER 225 CO 0.00 0.04 -0.10 -0.74 -0.53 0.00 0.00 176.83 175.51 3h42 h HIS 226 N 0.14 0.15 -0.55 2.24 -0.00 -1.85 -2.97 115.15 112.31 3h42 h HIS 226 Ca 0.11 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 3h42 h HIS 226 Cb 0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3h42 h HIS 226 CO -0.15 0.73 -0.06 0.78 -0.00 0.00 0.00 177.93 179.23 3h42 h GLY 227 N -0.47 1.09 1.00 5.26 0.00 -1.71 -2.64 103.07 105.60 3h42 h GLY 227 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3h42 h GLY 227 CO 0.02 0.78 0.40 -0.84 0.00 0.00 0.00 176.54 176.90 3h42 h THR 228 N 0.89 1.19 -0.58 4.70 2.02 -1.36 -0.78 112.91 119.00 3h42 h THR 228 Ca 0.15 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3h42 h THR 228 Cb 0.62 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3h42 h THR 228 CO 0.04 0.20 0.04 -0.74 0.37 0.00 0.00 175.52 175.43 3h42 h HIS 229 N 0.90 1.04 -0.25 3.16 2.76 -1.41 -1.64 115.15 119.72 3h42 h HIS 229 Ca 0.24 -0.15 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 3h42 h HIS 229 Cb -0.03 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.65 3h42 h HIS 229 CO -0.02 0.91 -0.60 -0.07 -1.30 0.00 0.00 177.93 176.85 3h42 h LEU 230 N 0.91 0.96 -0.86 0.26 3.38 -1.08 -0.64 115.31 118.24 3h42 h LEU 230 Ca 0.17 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3h42 h LEU 230 Cb 0.47 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3h42 h LEU 230 CO 0.02 1.35 0.56 0.00 0.09 0.00 0.00 178.44 180.45 3h42 h ALA 231 N 0.64 1.14 -0.72 1.53 0.00 -1.00 -1.34 119.26 119.52 3h42 h ALA 231 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3h42 h ALA 231 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3h42 h ALA 231 CO 0.13 0.39 0.21 0.78 0.00 0.00 0.00 179.25 180.76 3h42 h GLY 232 N 1.07 1.20 1.22 0.00 0.00 -1.01 -0.26 103.07 105.30 3h42 h GLY 232 Ca 0.35 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3h42 h GLY 232 CO -0.12 0.68 0.21 -2.08 0.00 0.00 0.00 176.54 175.22 3h42 h VAL 233 N 1.06 1.24 -0.01 4.60 2.07 -0.56 0.20 116.25 124.85 3h42 h VAL 233 Ca 0.23 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3h42 h VAL 233 Cb 0.32 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3h42 h VAL 233 CO -0.00 0.32 -0.03 0.58 0.02 0.00 0.00 177.57 178.46 3h42 h VAL 234 N 0.95 1.44 0.00 2.57 2.07 -0.97 -0.32 116.25 121.99 3h42 h VAL 234 Ca 0.21 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3h42 h VAL 234 Cb 0.26 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3h42 h VAL 234 CO -0.01 0.35 -0.18 -1.54 0.02 0.00 0.00 177.57 176.21 3h42 n SER 235 N -4.78 0.30 -4.76 0.57 3.41 -0.13 -0.35 113.62 107.88 3h42 n SER 235 Ca -0.08 -1.56 -0.39 0.00 -0.26 0.00 0.00 58.87 56.58 3h42 n SER 235 Cb 0.30 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3h42 n SER 235 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h42 s GLY 236 N -0.61 2.89 0.31 5.00 0.00 0.70 -1.74 107.32 113.87 3h42 s GLY 236 Ca 0.02 1.30 0.12 0.00 0.00 0.00 0.00 44.72 46.17 3h42 s GLY 236 CO 0.00 1.85 1.67 0.07 0.00 0.00 0.00 173.10 176.69 3h42 h ARG 237 N 1.93 0.00 0.00 2.90 0.11 -1.63 -1.44 114.38 116.25 3h42 h ARG 237 Ca -0.50 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.18 3h42 h ARG 237 Cb 1.28 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.29 3h42 h ARG 237 CO 0.59 0.54 -2.44 -0.25 0.10 0.00 0.00 179.97 178.51 3h42 n ASP 238 N -3.80 2.02 -0.29 0.08 8.00 -1.26 -4.72 116.55 116.58 3h42 n ASP 238 Ca -0.01 -0.03 0.03 0.00 0.71 0.00 0.00 54.79 55.48 3h42 n ASP 238 Cb 0.56 -0.48 0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3h42 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h42 n ALA 239 N -3.44 2.19 -2.00 2.24 0.00 -1.25 -5.04 120.51 113.21 3h42 n ALA 239 Ca -0.46 -0.93 -0.28 0.00 0.00 0.00 0.00 53.44 51.77 3h42 n ALA 239 Cb 0.95 -0.20 0.04 0.00 0.00 0.00 0.00 19.45 20.24 3h42 n ALA 239 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h42 s GLY 240 N -0.85 1.62 -0.16 0.00 0.00 -0.54 -4.71 107.32 102.68 3h42 s GLY 240 Ca 0.10 -0.62 -0.24 0.00 0.00 0.00 0.00 44.72 43.96 3h42 s GLY 240 CO 0.07 -0.29 0.49 -2.08 0.00 0.00 0.00 173.10 171.29 3h42 h VAL 241 N -0.41 1.30 -3.46 1.40 2.07 -0.88 -3.40 116.25 112.86 3h42 h VAL 241 Ca -0.45 -2.14 -0.75 0.00 0.82 0.00 0.00 66.70 64.18 3h42 h VAL 241 Cb 1.27 2.61 -0.32 0.00 -1.52 0.00 0.00 31.29 33.33 3h42 h VAL 241 CO 0.62 0.44 0.15 0.00 0.02 0.00 0.00 177.57 178.79 3h42 s ALA 242 N -2.31 4.43 0.20 1.67 0.00 0.53 -4.93 121.76 121.35 3h42 s ALA 242 Ca -0.21 -3.79 -0.32 0.00 0.00 0.00 0.00 51.96 47.64 3h42 s ALA 242 Cb 0.00 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3h42 s ALA 242 CO 0.59 -2.18 1.69 1.63 0.00 0.00 0.00 175.76 177.49 3h42 n LYS 243 N 2.63 2.64 -0.73 0.00 5.02 -1.26 -1.32 118.16 125.14 3h42 n LYS 243 Ca 0.22 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 3h42 n LYS 243 Cb 0.39 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 3h42 n LYS 243 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h42 n GLY 244 N 3.78 1.50 3.63 0.72 0.00 -0.71 -4.98 105.19 109.14 3h42 n GLY 244 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3h42 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h42 n ALA 245 N 0.70 0.24 -2.36 4.61 0.00 -0.43 -4.94 120.51 118.33 3h42 n ALA 245 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 3h42 n ALA 245 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 3h42 n ALA 245 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h42 s SER 246 N -1.39 7.22 0.05 0.00 0.15 -1.26 -4.74 113.70 113.73 3h42 s SER 246 Ca 0.77 1.46 0.03 0.00 0.70 0.00 0.00 55.95 58.91 3h42 s SER 246 Cb -0.39 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.43 3h42 s SER 246 CO 0.46 0.04 -0.09 -0.04 1.20 0.00 0.00 173.24 174.81 3h42 s MET 247 N -0.16 0.58 -0.09 5.44 -1.94 -0.63 -2.07 119.30 120.43 3h42 s MET 247 Ca 0.38 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.60 3h42 s MET 247 Cb -0.21 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.25 3h42 s MET 247 CO 0.23 0.08 -0.13 1.03 -0.01 0.00 0.00 175.02 176.22 3h42 s ARG 248 N -1.55 1.91 -0.10 2.03 0.52 -0.37 -0.19 118.95 121.20 3h42 s ARG 248 Ca -0.08 -0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3h42 s ARG 248 Cb -0.10 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 3h42 s ARG 248 CO 0.01 -0.06 0.05 -1.54 0.02 0.00 0.00 175.30 173.78 3h42 s SER 249 N 0.98 5.66 -0.03 0.23 1.04 -0.58 -1.15 113.70 119.84 3h42 s SER 249 Ca -0.08 0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.68 3h42 s SER 249 Cb -0.15 -1.70 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 3h42 s SER 249 CO -0.01 0.38 -0.24 -0.76 0.98 0.00 0.00 173.24 173.60 3h42 s LEU 250 N -0.90 2.18 -0.47 2.42 1.02 0.12 -2.34 118.68 120.70 3h42 s LEU 250 Ca 0.14 -0.43 -0.18 0.00 0.02 0.00 0.00 54.13 53.67 3h42 s LEU 250 Cb -0.12 -1.39 0.05 0.00 0.02 0.00 0.00 46.19 44.75 3h42 s LEU 250 CO 0.03 0.31 0.55 -0.60 0.02 0.00 0.00 176.35 176.66 3h42 s ARG 251 N -0.53 3.11 0.00 1.70 3.52 -0.93 -1.80 118.95 124.01 3h42 s ARG 251 Ca 0.07 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 3h42 s ARG 251 Cb -0.11 -4.05 0.01 0.00 -1.56 0.00 0.00 34.95 29.24 3h42 s ARG 251 CO 0.00 -1.08 0.68 1.33 -0.81 0.00 0.00 175.30 175.42 3h42 n VAL 252 N 5.55 0.29 -5.06 7.11 0.24 -0.33 -1.59 118.33 124.55 3h42 n VAL 252 Ca -0.07 -0.65 -0.29 0.00 -2.04 0.00 0.00 64.34 61.30 3h42 n VAL 252 Cb 0.46 0.87 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 3h42 n VAL 252 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3h42 s LEU 253 N -0.36 2.00 0.00 1.34 1.43 -0.95 -4.05 118.68 118.10 3h42 s LEU 253 Ca 0.02 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3h42 s LEU 253 Cb 0.01 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.11 3h42 s LEU 253 CO 0.01 0.21 0.24 -0.46 0.23 0.00 0.00 176.35 176.59 3h42 n ASN 254 N 2.94 0.03 0.28 2.29 0.23 0.17 -4.26 115.26 116.95 3h42 n ASN 254 Ca -0.17 -1.09 0.15 0.00 -0.53 0.00 0.00 54.58 52.93 3h42 n ASN 254 Cb 0.52 -0.18 0.85 0.00 -2.08 0.00 0.00 39.78 38.89 3h42 n ASN 254 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h42 n GLN 256 N -3.61 4.29 -1.14 0.00 6.02 -1.26 -4.79 117.38 116.90 3h42 n GLN 256 Ca -0.02 -2.71 -0.05 0.00 -0.01 0.00 0.00 57.00 54.21 3h42 n GLN 256 Cb 0.17 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.28 3h42 n GLN 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h42 n GLY 257 N 0.59 0.75 3.39 1.08 0.00 -0.40 -4.99 105.19 105.60 3h42 n GLY 257 Ca 0.24 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 3h42 n GLY 257 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h42 s LYS 258 N -2.05 2.46 0.00 1.61 2.20 -1.26 -4.79 119.74 117.91 3h42 s LYS 258 Ca 0.00 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 3h42 s LYS 258 Cb 0.00 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 3h42 s LYS 258 CO 0.00 0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 3h42 n GLY 259 N 2.54 4.44 3.26 5.54 0.00 -1.26 -0.65 105.19 119.07 3h42 n GLY 259 Ca -0.17 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 3h42 n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h42 s THR 260 N -1.62 1.38 0.25 2.61 -4.23 -1.26 -4.91 115.64 107.86 3h42 s THR 260 Ca 0.00 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 3h42 s THR 260 Cb 0.00 -1.69 0.23 0.00 1.34 0.00 0.00 72.50 72.37 3h42 s THR 260 CO 0.00 -0.51 1.84 0.58 -0.54 0.00 0.00 174.62 175.99 3h42 h VAL 261 N 3.19 1.00 -0.56 2.29 2.07 -1.99 -1.82 116.25 120.43 3h42 h VAL 261 Ca -0.39 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 3h42 h VAL 261 Cb 1.20 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3h42 h VAL 261 CO 0.55 0.17 -0.02 0.77 0.02 0.00 0.00 177.57 179.07 3h42 h SER 262 N 0.95 0.98 -0.29 0.57 4.64 -1.99 -0.15 113.55 118.24 3h42 h SER 262 Ca 0.40 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3h42 h SER 262 Cb 0.25 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3h42 h SER 262 CO -0.20 1.06 -0.08 1.23 -0.87 0.00 0.00 176.83 177.96 3h42 h GLY 263 N 0.88 0.75 0.97 -0.77 0.00 -1.81 -2.09 103.07 101.00 3h42 h GLY 263 Ca 0.16 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3h42 h GLY 263 CO 0.03 0.49 -0.04 -0.84 0.00 0.00 0.00 176.54 176.19 3h42 h THR 264 N 0.64 1.27 -0.20 4.70 2.02 -0.73 -1.22 112.91 119.38 3h42 h THR 264 Ca 0.12 -1.09 0.05 0.00 0.77 0.00 0.00 66.41 66.25 3h42 h THR 264 Cb 0.52 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3h42 h THR 264 CO 0.03 0.37 -0.12 -0.07 0.37 0.00 0.00 175.52 176.10 3h42 h LEU 265 N 0.60 -0.39 -1.85 2.58 3.38 -0.86 0.32 115.31 119.09 3h42 h LEU 265 Ca 0.11 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3h42 h LEU 265 Cb 0.54 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3h42 h LEU 265 CO 0.03 -0.15 -0.04 0.40 0.09 0.00 0.00 178.44 178.76 3h42 h ILE 266 N -0.11 1.05 -0.17 1.22 2.04 -1.17 0.11 117.51 120.48 3h42 h ILE 266 Ca 0.11 -0.22 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 3h42 h ILE 266 Cb 0.28 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3h42 h ILE 266 CO -0.27 0.07 -0.66 1.23 0.00 0.00 0.00 178.15 178.52 3h42 h GLY 267 N 0.22 0.73 1.35 5.37 0.00 -0.40 -2.12 103.07 108.22 3h42 h GLY 267 Ca 0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 47.33 46.28 3h42 h GLY 267 CO 0.01 0.85 -0.22 1.41 0.00 0.00 0.00 176.54 178.58 3h42 h LEU 268 N 0.48 0.76 -0.95 3.11 3.38 0.48 -2.23 115.31 120.34 3h42 h LEU 268 Ca -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3h42 h LEU 268 Cb 1.25 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3h42 h LEU 268 CO 0.13 0.96 0.30 -0.08 0.09 0.00 0.00 178.44 179.84 3h42 h GLU 269 N 0.65 1.06 -0.77 1.13 4.81 -0.81 -1.89 114.58 118.76 3h42 h GLU 269 Ca 0.09 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3h42 h GLU 269 Cb 0.73 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 3h42 h GLU 269 CO 0.06 0.85 0.51 0.35 -0.73 0.00 0.00 179.01 180.05 3h42 h PHE 270 N 1.04 0.97 -0.53 0.92 3.57 -0.99 -0.40 116.94 121.52 3h42 h PHE 270 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3h42 h PHE 270 Cb 0.18 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3h42 h PHE 270 CO 0.02 0.61 0.14 0.82 -2.23 0.00 0.00 178.31 177.67 3h42 h ILE 271 N 1.05 1.24 -0.78 1.41 2.04 -1.07 -0.95 117.51 120.44 3h42 h ILE 271 Ca 0.28 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3h42 h ILE 271 Cb -0.12 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3h42 h ILE 271 CO -0.06 0.30 0.52 -0.09 0.00 0.00 0.00 178.15 178.82 3h42 h ARG 272 N 0.73 1.01 -0.36 2.37 9.65 -0.92 -1.08 114.38 125.78 3h42 h ARG 272 Ca 0.17 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 3h42 h ARG 272 Cb 0.31 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3h42 h ARG 272 CO -0.00 0.67 0.10 -0.22 2.80 0.00 0.00 179.97 183.32 3h42 h LYS 273 N 1.04 0.57 -0.72 0.20 1.63 -0.47 -3.00 116.57 115.82 3h42 h LYS 273 Ca 0.29 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3h42 h LYS 273 Cb -0.10 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 3h42 h LYS 273 CO -0.07 0.61 0.18 0.77 -3.45 0.00 0.00 179.45 177.49 3h42 h SER 274 N 0.44 1.09 -0.04 4.20 0.02 -0.70 -2.93 113.55 115.62 3h42 h SER 274 Ca 0.12 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3h42 h SER 274 Cb 0.28 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3h42 h SER 274 CO -0.00 1.03 0.03 -0.61 -1.14 0.00 0.00 176.83 176.14 3h42 h GLN 275 N 1.09 0.00 0.04 3.45 4.15 -1.08 -1.81 115.11 120.95 3h42 h GLN 275 Ca 0.23 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 3h42 h GLN 275 Cb 0.37 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.06 3h42 h GLN 275 CO 0.00 0.00 -0.26 -0.07 -1.93 0.00 0.00 178.83 176.57 3h42 h LEU 276 N 0.00 0.17 -0.40 -2.39 3.38 -1.45 -3.33 115.31 111.29 3h42 h LEU 276 Ca 0.02 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3h42 h LEU 276 Cb 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h42 h LEU 276 CO -0.00 1.08 -0.07 0.55 0.09 0.00 0.00 178.44 180.09 3h42 n VAL 277 N -4.47 0.00 -4.04 1.22 3.14 -1.13 -4.85 118.33 108.20 3h42 n VAL 277 Ca -0.11 -0.10 -0.22 0.00 -2.96 0.00 0.00 64.34 60.95 3h42 n VAL 277 Cb 0.57 0.03 -0.05 0.00 -1.06 0.00 0.00 33.84 33.33 3h42 n VAL 277 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3h42 s GLN 278 N -2.26 2.67 -0.15 1.45 -0.21 -0.69 -5.04 119.66 115.43 3h42 s GLN 278 Ca 0.35 -1.27 -0.29 0.00 0.02 0.00 0.00 55.36 54.16 3h42 s GLN 278 Cb 0.21 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 3h42 s GLN 278 CO 0.42 0.25 1.95 -1.25 -2.12 0.00 0.00 175.29 174.54 3h42 s PRO 279 N -3.87 3.64 -0.22 2.91 0.04 -1.26 -4.83 135.00 131.41 3h42 s PRO 279 Ca 0.36 2.08 -0.37 0.00 0.04 0.00 0.00 61.00 63.11 3h42 s PRO 279 Cb -0.06 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.14 3h42 s PRO 279 CO 0.24 -1.51 1.86 1.33 0.04 0.00 0.00 177.00 178.96 3h42 n VAL 280 N 6.68 0.41 -3.90 -0.36 0.24 -1.26 -4.90 118.33 115.23 3h42 n VAL 280 Ca 0.23 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.34 3h42 n VAL 280 Cb 0.44 -1.54 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 3h42 n VAL 280 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h42 s GLY 281 N 4.28 0.33 0.30 7.63 0.00 -1.26 -5.14 107.32 113.45 3h42 s GLY 281 Ca 0.98 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 44.73 3h42 s GLY 281 CO 0.58 -0.36 1.30 2.56 0.00 0.00 0.00 173.10 177.19 3h42 s PRO 282 N -3.43 4.37 0.01 2.90 0.04 -1.26 -4.95 135.00 132.68 3h42 s PRO 282 Ca 0.17 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.40 3h42 s PRO 282 Cb -0.04 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3h42 s PRO 282 CO 0.10 -0.19 -0.08 -0.48 0.04 0.00 0.00 177.00 176.39 3h42 s LEU 283 N -1.37 2.07 -0.10 -3.56 2.34 -1.26 -2.19 118.68 114.62 3h42 s LEU 283 Ca 0.51 -0.24 0.01 0.00 0.06 0.00 0.00 54.13 54.46 3h42 s LEU 283 Cb -0.39 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 44.84 3h42 s LEU 283 CO 0.49 0.04 -0.10 -0.69 -1.06 0.00 0.00 176.35 175.02 3h42 s VAL 284 N -0.45 3.35 -0.19 1.48 1.01 0.50 -2.23 120.40 123.86 3h42 s VAL 284 Ca 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3h42 s VAL 284 Cb -0.05 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3h42 s VAL 284 CO 0.00 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 3h42 s VAL 285 N -0.25 2.46 -0.27 2.92 1.01 0.15 0.83 120.40 127.26 3h42 s VAL 285 Ca 0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3h42 s VAL 285 Cb -0.13 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3h42 s VAL 285 CO 0.03 0.49 0.20 -0.22 0.00 0.00 0.00 175.10 175.60 3h42 s LEU 286 N 1.35 4.04 -0.79 3.92 2.96 0.10 -0.77 118.68 129.48 3h42 s LEU 286 Ca 0.05 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3h42 s LEU 286 Cb -0.13 -2.15 0.19 0.00 0.50 0.00 0.00 46.19 44.60 3h42 s LEU 286 CO -0.10 -0.04 0.63 -0.76 -1.32 0.00 0.00 176.35 174.76 3h42 s LEU 287 N 1.68 5.19 -0.98 -0.68 1.43 0.68 -2.23 118.68 123.76 3h42 s LEU 287 Ca 0.08 -3.76 -0.07 0.00 -1.03 0.00 0.00 54.13 49.35 3h42 s LEU 287 Cb -0.16 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 3h42 s LEU 287 CO 0.10 -0.14 2.95 -0.81 0.23 0.00 0.00 176.35 178.68 3h42 n PRO 288 N 2.20 3.32 -3.77 1.29 -0.04 -1.26 -2.95 135.00 133.79 3h42 n PRO 288 Ca 0.20 -2.25 -0.10 0.00 -0.04 0.00 0.00 63.50 61.31 3h42 n PRO 288 Cb 0.36 -2.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 3h42 n PRO 288 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3h42 s LEU 289 N -0.80 0.36 -0.04 1.53 0.05 -1.26 -4.82 118.68 113.70 3h42 s LEU 289 Ca 0.64 -0.55 -0.20 0.00 0.05 0.00 0.00 54.13 54.07 3h42 s LEU 289 Cb 0.25 1.85 0.04 0.00 -2.05 0.00 0.00 46.19 46.28 3h42 s LEU 289 CO -0.08 -0.98 0.44 0.00 -0.55 0.00 0.00 176.35 175.18 3h42 s ALA 290 N -3.88 -1.12 0.00 1.48 0.00 -1.26 -4.48 121.76 112.49 3h42 s ALA 290 Ca 0.10 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3h42 s ALA 290 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3h42 s ALA 290 CO -0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3h42 n GLY 291 N 1.27 5.30 3.79 0.00 0.00 0.04 -4.98 105.19 110.61 3h42 n GLY 291 Ca -0.20 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 3h42 n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h42 s GLY 292 N -0.31 1.63 0.03 -0.02 0.00 -1.26 -1.71 107.32 105.68 3h42 s GLY 292 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 44.72 44.24 3h42 s GLY 292 CO 0.00 0.30 1.56 2.98 0.00 0.00 0.00 173.10 177.94 3h42 n TYR 293 N -3.48 1.98 -3.91 1.90 9.36 -0.24 -3.38 117.16 119.39 3h42 n TYR 293 Ca 0.07 0.40 -0.27 0.00 3.32 0.00 0.00 57.90 61.42 3h42 n TYR 293 Cb 0.56 -2.47 -0.17 0.00 -0.63 0.00 0.00 39.34 36.62 3h42 n TYR 293 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3h42 s SER 294 N 1.64 2.33 0.17 2.98 0.15 -1.26 -4.89 113.70 114.81 3h42 s SER 294 Ca 0.86 -0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.99 3h42 s SER 294 Cb -0.84 -0.87 0.06 0.00 -1.71 0.00 0.00 66.02 62.67 3h42 s SER 294 CO 0.47 -0.13 1.83 -0.09 1.20 0.00 0.00 173.24 176.52 3h42 h ARG 295 N 8.16 0.64 -0.32 5.44 2.43 -1.99 -1.36 114.38 127.37 3h42 h ARG 295 Ca -0.29 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 3h42 h ARG 295 Cb 1.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3h42 h ARG 295 CO 0.41 0.42 -0.42 -0.24 -1.51 0.00 0.00 179.97 178.63 3h42 h VAL 296 N 0.65 1.28 -0.43 0.20 3.04 -1.98 -0.79 116.25 118.23 3h42 h VAL 296 Ca 0.19 -1.60 -0.10 0.00 -1.01 0.00 0.00 66.70 64.18 3h42 h VAL 296 Cb -0.05 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 3h42 h VAL 296 CO -0.05 0.52 -0.12 0.25 -1.01 0.00 0.00 177.57 177.16 3h42 h LEU 297 N 0.65 0.84 -1.00 3.16 5.85 -1.92 -0.19 115.31 122.70 3h42 h LEU 297 Ca 0.05 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3h42 h LEU 297 Cb 0.99 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3h42 h LEU 297 CO 0.09 1.02 0.40 0.78 -0.34 0.00 0.00 178.44 180.39 3h42 h ASN 298 N 0.66 0.99 -0.51 1.25 4.21 -1.16 -1.92 115.58 119.09 3h42 h ASN 298 Ca 0.11 -0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.39 3h42 h ASN 298 Cb 0.65 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 3h42 h ASN 298 CO 0.04 0.82 -0.17 0.00 -1.29 0.00 0.00 177.43 176.84 3h42 h ALA 299 N 1.33 0.71 -0.69 -0.83 0.00 -0.82 -0.80 119.26 118.17 3h42 h ALA 299 Ca 0.27 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3h42 h ALA 299 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h42 h ALA 299 CO -0.04 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.10 3h42 h ALA 300 N 0.89 1.08 -0.35 0.00 0.00 -0.87 -1.37 119.26 118.65 3h42 h ALA 300 Ca 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3h42 h ALA 300 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h42 h ALA 300 CO 0.06 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 3h42 h GLN 302 N 0.48 0.71 -0.71 0.00 4.15 -0.95 -0.39 115.11 118.40 3h42 h GLN 302 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3h42 h GLN 302 Cb 0.62 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 3h42 h GLN 302 CO 0.04 0.47 0.40 -0.09 -1.93 0.00 0.00 178.83 177.72 3h42 h ARG 303 N 0.73 0.98 -0.38 1.69 1.12 -1.13 -1.24 114.38 116.15 3h42 h ARG 303 Ca 0.21 -0.10 -0.15 0.00 -1.11 0.00 0.00 59.98 58.83 3h42 h ARG 303 Cb -0.05 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 29.70 3h42 h ARG 303 CO -0.06 0.71 -0.37 -0.07 -3.11 0.00 0.00 179.97 177.08 3h42 h LEU 304 N 0.99 0.96 -1.11 3.80 3.38 -0.89 -3.00 115.31 119.44 3h42 h LEU 304 Ca 0.25 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3h42 h LEU 304 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3h42 h LEU 304 CO -0.04 1.22 0.18 0.00 0.09 0.00 0.00 178.44 179.89 3h42 h ALA 305 N 0.83 1.29 0.00 1.53 0.00 -0.40 -1.23 119.26 121.27 3h42 h ALA 305 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h42 h ALA 305 Cb 0.95 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h42 h ALA 305 CO 0.09 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.39 3h42 n ARG 306 N -4.31 0.16 -0.17 0.00 1.74 -0.53 -1.61 116.66 111.95 3h42 n ARG 306 Ca 0.04 0.28 0.07 0.00 -0.77 0.00 0.00 57.85 57.47 3h42 n ARG 306 Cb 0.19 -1.75 0.20 0.00 -1.02 0.00 0.00 32.46 30.08 3h42 n ARG 306 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h42 n ALA 307 N -1.70 2.46 -0.47 7.54 0.00 -0.48 -4.91 120.51 122.94 3h42 n ALA 307 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3h42 n ALA 307 Cb 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3h42 n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h42 n GLY 308 N 1.10 0.72 3.81 0.00 0.00 -0.63 -5.07 105.19 105.12 3h42 n GLY 308 Ca 0.13 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3h42 n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h42 s VAL 309 N -2.00 5.09 -0.41 1.61 1.01 -1.09 -4.65 120.40 119.96 3h42 s VAL 309 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 3h42 s VAL 309 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3h42 s VAL 309 CO 0.00 0.53 0.63 -0.69 0.00 0.00 0.00 175.10 175.57 3h42 s VAL 310 N -0.70 4.86 -0.19 2.92 1.01 -0.95 -4.30 120.40 123.05 3h42 s VAL 310 Ca 0.23 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 3h42 s VAL 310 Cb -0.16 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3h42 s VAL 310 CO 0.12 -0.51 0.11 -0.76 0.00 0.00 0.00 175.10 174.06 3h42 s LEU 311 N 2.76 4.07 -0.07 3.92 1.02 -1.26 -0.67 118.68 128.46 3h42 s LEU 311 Ca 0.23 0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.61 3h42 s LEU 311 Cb -0.14 -2.04 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 3h42 s LEU 311 CO 0.18 0.18 -0.21 -0.69 0.02 0.00 0.00 176.35 175.83 3h42 s VAL 312 N 0.33 1.79 0.05 -1.59 1.01 0.05 -0.61 120.40 121.44 3h42 s VAL 312 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 3h42 s VAL 312 Cb -0.11 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3h42 s VAL 312 CO -0.01 0.50 -0.04 0.28 0.00 0.00 0.00 175.10 175.83 3h42 s THR 313 N 0.11 0.32 0.39 3.92 -1.32 -0.07 -0.23 115.64 118.76 3h42 s THR 313 Ca -0.09 -1.65 -0.26 0.00 -1.21 0.00 0.00 61.69 58.49 3h42 s THR 313 Cb -0.15 -1.30 -0.09 0.00 -1.51 0.00 0.00 72.50 69.46 3h42 s THR 313 CO 0.05 -0.85 1.17 0.00 -2.21 0.00 0.00 174.62 172.77 3h42 s ALA 314 N -3.30 3.20 0.16 11.08 0.00 -1.15 -1.29 121.76 130.45 3h42 s ALA 314 Ca 0.03 0.98 0.19 0.00 0.00 0.00 0.00 51.96 53.16 3h42 s ALA 314 Cb 0.03 -3.38 0.71 0.00 0.00 0.00 0.00 23.12 20.48 3h42 s ALA 314 CO -0.07 -0.50 1.74 0.00 0.00 0.00 0.00 175.76 176.94 3h42 h ALA 315 N 2.78 1.00 0.00 0.00 0.00 -1.50 -3.40 119.26 118.14 3h42 h ALA 315 Ca -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3h42 h ALA 315 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h42 h ALA 315 CO 0.63 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3h42 n GLY 316 N 0.23 2.85 1.11 0.00 0.00 -1.26 -4.66 105.19 103.45 3h42 n GLY 316 Ca -0.00 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.19 3h42 n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h42 n ASN 317 N 0.00 3.68 -1.03 1.61 3.02 -1.26 -1.14 115.26 120.15 3h42 n ASN 317 Ca 0.00 -3.23 0.08 0.00 -0.03 0.00 0.00 54.58 51.40 3h42 n ASN 317 Cb 0.00 -0.60 0.25 0.00 -0.61 0.00 0.00 39.78 38.83 3h42 n ASN 317 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h42 n PHE 318 N -0.61 0.95 -4.05 3.10 3.72 -0.67 -2.66 117.46 117.23 3h42 n PHE 318 Ca 0.27 -0.65 -0.35 0.00 -0.05 0.00 0.00 57.45 56.66 3h42 n PHE 318 Cb 1.00 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.33 3h42 n PHE 318 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3h42 n ARG 319 N 0.39 -1.29 -4.23 -1.08 0.63 0.11 -4.65 116.66 106.54 3h42 n ARG 319 Ca 0.19 0.22 -0.16 0.00 -0.92 0.00 0.00 57.85 57.18 3h42 n ARG 319 Cb 0.72 -3.54 -0.08 0.00 0.45 0.00 0.00 32.46 30.01 3h42 n ARG 319 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3h42 s ASP 320 N -3.94 1.01 -0.24 6.15 2.15 -1.26 -4.93 116.67 115.61 3h42 s ASP 320 Ca 0.25 -1.58 -0.29 0.00 0.43 0.00 0.00 52.55 51.36 3h42 s ASP 320 Cb -0.12 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 3h42 s ASP 320 CO 0.94 -1.01 1.41 -0.62 -0.17 0.00 0.00 175.17 175.72 3h42 s ASP 321 N -3.27 6.63 0.30 -0.34 -1.08 -1.26 -1.15 116.67 116.49 3h42 s ASP 321 Ca 0.39 1.46 0.20 0.00 -0.52 0.00 0.00 52.55 54.08 3h42 s ASP 321 Cb 0.04 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.04 3h42 s ASP 321 CO 0.21 -1.07 1.61 0.00 0.52 0.00 0.00 175.17 176.44 3h42 n ALA 322 N 7.68 1.04 1.33 3.66 0.00 -0.24 -1.66 120.51 132.33 3h42 n ALA 322 Ca 0.16 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3h42 n ALA 322 Cb 0.46 -1.29 0.67 0.00 0.00 0.00 0.00 19.45 19.29 3h42 n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h42 n LEU 324 N -1.17 2.68 -4.36 0.00 4.77 -0.66 -4.80 117.00 113.45 3h42 n LEU 324 Ca 0.15 -1.05 -0.22 0.00 -0.03 0.00 0.00 56.01 54.86 3h42 n LEU 324 Cb 0.15 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 3h42 n LEU 324 CO 0.17 0.53 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.97 3h42 s TYR 325 N -1.76 1.91 0.06 -1.77 2.02 -0.98 -1.08 117.35 115.74 3h42 s TYR 325 Ca 0.34 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 3h42 s TYR 325 Cb 0.21 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 3h42 s TYR 325 CO 0.30 0.41 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.46 3h42 s SER 326 N -2.95 1.30 0.00 2.29 0.01 -0.69 -0.86 113.70 112.80 3h42 s SER 326 Ca 0.20 -0.57 0.12 0.00 1.31 0.00 0.00 55.95 57.00 3h42 s SER 326 Cb -0.05 -0.01 0.69 0.00 0.21 0.00 0.00 66.02 66.86 3h42 s SER 326 CO 0.08 -0.13 1.40 -0.81 0.41 0.00 0.00 173.24 174.19 3h42 n PRO 327 N 1.41 0.94 -0.32 12.44 -0.04 -1.26 -0.78 135.00 147.38 3h42 n PRO 327 Ca -0.22 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.42 3h42 n PRO 327 Cb 0.54 -1.19 0.38 0.00 -0.04 0.00 0.00 33.50 33.19 3h42 n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h42 h ALA 328 N 3.27 1.63 -0.00 0.55 0.00 -1.77 -0.15 119.26 122.79 3h42 h ALA 328 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h42 h ALA 328 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h42 h ALA 328 CO 0.00 -0.47 -0.03 -1.13 0.00 0.00 0.00 179.25 177.62 3h42 n SER 329 N -5.09 0.22 -4.68 0.00 3.41 -0.04 -4.79 113.62 102.65 3h42 n SER 329 Ca 0.26 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.85 3h42 n SER 329 Cb 0.81 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 3h42 n SER 329 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h42 s ALA 330 N -2.34 3.61 0.22 7.33 0.00 -0.07 -4.91 121.76 125.60 3h42 s ALA 330 Ca 0.35 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 3h42 s ALA 330 Cb 0.21 -3.65 0.20 0.00 0.00 0.00 0.00 23.12 19.88 3h42 s ALA 330 CO 0.43 -1.10 1.76 -1.35 0.00 0.00 0.00 175.76 175.50 3h42 h PRO 331 N 8.39 1.08 0.00 0.00 0.11 -1.88 -2.51 132.00 137.20 3h42 h PRO 331 Ca -0.37 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3h42 h PRO 331 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h42 h PRO 331 CO 0.93 0.94 0.00 -0.85 -0.21 0.00 0.00 178.00 178.81 3h42 n GLU 332 N -4.25 0.44 -3.27 1.05 0.00 -1.26 -4.75 120.64 108.60 3h42 n GLU 332 Ca 0.06 0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.85 3h42 n GLU 332 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 3h42 n GLU 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3h42 s VAL 333 N -2.55 4.73 -0.39 3.84 1.01 -0.95 -4.73 120.40 121.37 3h42 s VAL 333 Ca 0.28 1.17 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 3h42 s VAL 333 Cb 0.20 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.72 3h42 s VAL 333 CO 0.44 0.47 0.96 -0.63 0.00 0.00 0.00 175.10 176.34 3h42 s ILE 334 N -1.21 4.53 -0.23 2.22 1.01 0.22 -4.90 121.20 122.84 3h42 s ILE 334 Ca 0.32 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 62.06 3h42 s ILE 334 Cb -0.19 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3h42 s ILE 334 CO 0.19 -0.62 0.08 -0.89 0.00 0.00 0.00 174.94 173.71 3h42 s THR 335 N 3.62 4.63 -0.20 2.92 2.01 -1.26 -0.89 115.64 126.47 3h42 s THR 335 Ca 0.39 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 3h42 s THR 335 Cb -0.11 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.27 3h42 s THR 335 CO 0.21 0.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.68 3h42 s VAL 336 N 1.15 2.51 0.80 3.82 1.01 -0.41 -0.81 120.40 128.47 3h42 s VAL 336 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3h42 s VAL 336 Cb -0.14 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.23 3h42 s VAL 336 CO 0.04 0.45 1.13 -0.83 0.00 0.00 0.00 175.10 175.89 3h42 s GLY 337 N 1.34 1.71 -0.07 4.51 0.00 -0.19 -1.42 107.32 113.21 3h42 s GLY 337 Ca 0.04 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.71 3h42 s GLY 337 CO -0.09 -0.54 -0.21 0.00 0.00 0.00 0.00 173.10 172.26 3h42 s ALA 338 N -3.48 2.33 0.27 3.20 0.00 -1.26 -0.85 121.76 121.97 3h42 s ALA 338 Ca 0.66 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.69 3h42 s ALA 338 Cb -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3h42 s ALA 338 CO 0.48 0.42 -0.12 0.95 0.00 0.00 0.00 175.76 177.49 3h42 s THR 339 N -0.22 2.01 0.06 0.00 -4.23 -0.20 -1.63 115.64 111.44 3h42 s THR 339 Ca -0.01 -2.24 0.01 0.00 -1.18 0.00 0.00 61.69 58.27 3h42 s THR 339 Cb -0.13 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3h42 s THR 339 CO 0.03 -0.38 0.08 -0.46 -0.54 0.00 0.00 174.62 173.35 3h42 n ASN 340 N -0.59 0.52 0.30 3.99 0.23 0.56 -1.09 115.26 119.17 3h42 n ASN 340 Ca -0.06 -1.19 0.18 0.00 -0.53 0.00 0.00 54.58 52.98 3h42 n ASN 340 Cb 0.62 -0.04 0.93 0.00 -2.08 0.00 0.00 39.78 39.21 3h42 n ASN 340 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h42 h ALA 341 N 0.54 1.15 -0.46 -2.53 0.00 -1.89 0.19 119.26 116.27 3h42 h ALA 341 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h42 h ALA 341 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h42 h ALA 341 CO 0.05 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.39 3h42 n GLN 342 N -3.35 2.28 -1.75 0.00 3.00 -1.26 -4.92 117.38 111.39 3h42 n GLN 342 Ca -0.02 -1.74 -0.17 0.00 -0.01 0.00 0.00 57.00 55.06 3h42 n GLN 342 Cb 0.17 -1.45 -0.05 0.00 0.00 0.00 0.00 30.24 28.91 3h42 n GLN 342 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3h42 n ASP 343 N 0.82 -5.05 -4.91 1.08 8.00 0.67 -4.97 116.55 112.18 3h42 n ASP 343 Ca 0.16 0.29 -0.24 0.00 0.71 0.00 0.00 54.79 55.71 3h42 n ASP 343 Cb 0.46 -4.08 -0.03 0.00 -0.02 0.00 0.00 41.12 37.44 3h42 n ASP 343 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h42 s GLN 344 N -3.87 3.26 0.29 -1.24 -1.52 -1.26 -4.10 119.66 111.21 3h42 s GLN 344 Ca 0.00 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 3h42 s GLN 344 Cb 0.00 -2.82 -0.12 0.00 -0.22 0.00 0.00 33.01 29.85 3h42 s GLN 344 CO 0.00 0.47 1.57 -2.30 -0.25 0.00 0.00 175.29 174.78 3h42 n PRO 345 N -0.85 2.61 -2.25 2.91 -0.02 -1.26 -0.33 135.00 135.81 3h42 n PRO 345 Ca -0.08 0.93 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 3h42 n PRO 345 Cb 0.56 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 3h42 n PRO 345 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h42 s VAL 346 N -0.01 3.15 -0.06 -1.45 1.01 -0.64 -4.76 120.40 117.64 3h42 s VAL 346 Ca 0.65 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 63.57 3h42 s VAL 346 Cb -0.52 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3h42 s VAL 346 CO 0.49 0.20 0.26 0.42 0.00 0.00 0.00 175.10 176.46 3h42 s THR 347 N -0.46 5.30 -0.24 3.92 -4.23 -1.26 -1.88 115.64 116.79 3h42 s THR 347 Ca 0.52 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.45 3h42 s THR 347 Cb -0.36 -3.54 0.07 0.00 1.34 0.00 0.00 72.50 70.01 3h42 s THR 347 CO 0.42 0.56 0.02 -0.76 -0.54 0.00 0.00 174.62 174.33 3h42 s LEU 348 N -1.17 2.02 0.00 4.79 1.43 0.46 -4.86 118.68 121.35 3h42 s LEU 348 Ca 0.20 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 3h42 s LEU 348 Cb -0.14 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.19 3h42 s LEU 348 CO 0.09 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3h42 n GLY 349 N 4.85 3.30 0.54 -3.19 0.00 -1.26 -1.04 105.19 108.39 3h42 n GLY 349 Ca -0.08 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3h42 n GLY 349 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h42 n THR 350 N 0.00 0.13 -0.99 2.61 -2.24 -1.26 -4.87 114.28 107.66 3h42 n THR 350 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3h42 n THR 350 Cb 0.00 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3h42 n THR 350 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h42 n LEU 351 N 0.30 0.00 0.00 3.22 4.77 -0.20 -5.02 117.00 120.06 3h42 n LEU 351 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3h42 n LEU 351 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3h42 n LEU 351 CO 0.15 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3h42 n GLY 352 N 5.00 -0.67 3.77 -0.72 0.00 -1.09 -0.40 105.19 111.08 3h42 n GLY 352 Ca 0.00 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 3h42 n GLY 352 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h42 s THR 353 N -2.99 2.33 0.92 2.61 -1.32 -0.79 0.10 115.64 116.50 3h42 s THR 353 Ca 0.00 0.29 -0.12 0.00 -1.21 0.00 0.00 61.69 60.65 3h42 s THR 353 Cb 0.00 -3.17 0.15 0.00 -1.51 0.00 0.00 72.50 67.97 3h42 s THR 353 CO 0.00 0.04 1.11 0.20 -2.21 0.00 0.00 174.62 173.76 3h42 s ASN 354 N -0.66 3.33 0.02 8.08 0.01 -0.29 -3.74 114.94 121.69 3h42 s ASN 354 Ca 0.60 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.90 3h42 s ASN 354 Cb -0.41 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3h42 s ASN 354 CO 0.52 -2.69 0.03 2.22 -1.51 0.00 0.00 177.10 175.67 3h42 n PHE 355 N -3.88 -0.46 0.00 2.20 -1.74 -0.30 -4.80 117.46 108.48 3h42 n PHE 355 Ca 0.06 -0.13 0.00 0.00 -0.56 0.00 0.00 57.45 56.82 3h42 n PHE 355 Cb 0.58 0.03 0.00 0.00 1.52 0.00 0.00 39.48 41.61 3h42 n PHE 355 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3h42 n GLY 356 N -0.03 -2.54 0.09 4.97 0.00 -1.26 -1.08 105.19 105.33 3h42 n GLY 356 Ca 0.00 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 44.00 3h42 n GLY 356 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h42 n ARG 357 N -0.10 0.14 0.00 1.61 1.85 -1.19 -2.31 116.66 116.66 3h42 n ARG 357 Ca 0.00 0.32 0.12 0.00 -1.00 0.00 0.00 57.85 57.29 3h42 n ARG 357 Cb 0.00 -1.75 0.31 0.00 -1.05 0.00 0.00 32.46 29.97 3h42 n ARG 357 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h42 s VAL 359 N -2.96 4.94 -0.06 0.00 1.01 -0.98 -4.56 120.40 117.79 3h42 s VAL 359 Ca 0.13 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 3h42 s VAL 359 Cb 0.18 -4.12 -0.26 0.00 0.00 0.00 0.00 36.38 32.18 3h42 s VAL 359 CO 0.66 0.12 0.60 0.44 0.00 0.00 0.00 175.10 176.92 3h42 h ASP 360 N 7.10 0.33 -5.35 3.32 3.32 -1.28 -3.40 116.42 120.47 3h42 h ASP 360 Ca -0.34 -0.62 0.17 0.00 0.02 0.00 0.00 57.03 56.25 3h42 h ASP 360 Cb 1.16 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 3h42 h ASP 360 CO 0.80 1.55 0.51 -1.48 -1.72 0.00 0.00 179.24 178.89 3h42 s LEU 361 N -6.83 -0.12 0.29 1.55 2.34 -1.16 -4.83 118.68 109.92 3h42 s LEU 361 Ca -0.14 -0.50 0.09 0.00 0.06 0.00 0.00 54.13 53.64 3h42 s LEU 361 Cb 0.07 2.15 -0.04 0.00 -0.56 0.00 0.00 46.19 47.81 3h42 s LEU 361 CO 0.81 -0.94 0.09 -0.36 -1.06 0.00 0.00 176.35 174.89 3h42 s PHE 362 N -2.95 2.79 0.18 3.48 0.08 -0.31 -1.02 117.98 120.23 3h42 s PHE 362 Ca 0.15 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 3h42 s PHE 362 Cb -0.02 -1.38 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3h42 s PHE 362 CO 0.03 0.51 0.44 0.00 -0.10 0.00 0.00 175.22 176.09 3h42 s ALA 363 N -2.31 -0.62 0.09 5.36 0.00 -0.03 -0.49 121.76 123.75 3h42 s ALA 363 Ca 0.34 -0.44 -0.35 0.00 0.00 0.00 0.00 51.96 51.51 3h42 s ALA 363 Cb -0.06 0.84 -0.14 0.00 0.00 0.00 0.00 23.12 23.77 3h42 s ALA 363 CO 0.22 -0.74 1.60 -2.30 0.00 0.00 0.00 175.76 174.54 3h42 n PRO 364 N -0.29 1.99 -0.18 0.00 -0.02 -1.26 -1.04 135.00 134.20 3h42 n PRO 364 Ca -0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3h42 n PRO 364 Cb 0.63 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3h42 n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h42 n GLY 365 N 3.49 -1.01 3.23 -1.23 0.00 -0.25 -3.22 105.19 106.20 3h42 n GLY 365 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3h42 n GLY 365 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h42 s GLU 366 N 0.00 2.26 -1.18 1.61 2.12 -1.24 0.03 118.70 122.30 3h42 s GLU 366 Ca 0.00 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 3h42 s GLU 366 Cb 0.00 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 3h42 s GLU 366 CO 0.00 0.36 0.93 -3.47 -0.54 0.00 0.00 175.26 172.55 3h42 n ASP 367 N 2.93 -2.91 -4.53 -1.70 2.03 -1.14 -4.79 116.55 106.44 3h42 n ASP 367 Ca -0.17 -0.68 -0.41 0.00 0.52 0.00 0.00 54.79 54.05 3h42 n ASP 367 Cb 0.52 -4.93 -0.10 0.00 -0.72 0.00 0.00 41.12 35.89 3h42 n ASP 367 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h42 s ILE 368 N -3.42 5.23 0.27 5.18 -1.09 -0.30 -4.82 121.20 122.25 3h42 s ILE 368 Ca 0.11 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.08 3h42 s ILE 368 Cb -0.02 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 3h42 s ILE 368 CO 0.75 -0.09 1.05 -0.51 -1.23 0.00 0.00 174.94 174.91 3h42 s ILE 369 N 1.86 3.68 0.09 2.92 1.10 -1.26 -1.61 121.20 127.99 3h42 s ILE 369 Ca 0.09 1.67 -0.26 0.00 -0.51 0.00 0.00 60.65 61.63 3h42 s ILE 369 Cb -0.17 -4.05 0.09 0.00 0.15 0.00 0.00 42.46 38.47 3h42 s ILE 369 CO 0.11 0.38 1.11 -0.83 -2.11 0.00 0.00 174.94 173.60 3h42 s GLY 370 N -1.01 -0.18 0.19 1.50 0.00 0.08 -4.84 107.32 103.05 3h42 s GLY 370 Ca 0.44 0.16 -0.33 0.00 0.00 0.00 0.00 44.72 44.99 3h42 s GLY 370 CO 0.37 1.25 1.43 0.00 0.00 0.00 0.00 173.10 176.16 3h42 n ALA 371 N -0.58 0.76 -2.81 3.20 0.00 -1.26 -0.30 120.51 119.51 3h42 n ALA 371 Ca -0.05 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 3h42 n ALA 371 Cb 0.61 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.68 3h42 n ALA 371 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h42 s SER 372 N 0.50 4.60 0.00 0.00 0.15 -0.48 -3.36 113.70 115.12 3h42 s SER 372 Ca 0.74 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.51 3h42 s SER 372 Cb -0.72 -1.49 1.39 0.00 -1.71 0.00 0.00 66.02 63.49 3h42 s SER 372 CO 0.45 0.25 1.84 -1.54 1.20 0.00 0.00 173.24 175.45 3h42 n SER 373 N 2.97 0.00 -0.23 5.45 3.41 -1.26 -3.37 113.62 120.58 3h42 n SER 373 Ca -0.18 -1.09 0.03 0.00 -0.26 0.00 0.00 58.87 57.38 3h42 n SER 373 Cb 0.53 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.63 3h42 n SER 373 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3h42 h ASP 374 N 0.00 0.15 -4.91 4.04 3.32 -1.94 -3.45 116.42 113.62 3h42 h ASP 374 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3h42 h ASP 374 Cb 0.00 0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.54 3h42 h ASP 374 CO 0.00 0.06 0.28 0.00 -1.72 0.00 0.00 179.24 177.85 3h42 n SER 376 N -0.29 0.21 0.00 0.00 3.41 -1.26 -1.41 113.62 114.28 3h42 n SER 376 Ca -0.15 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3h42 n SER 376 Cb 0.64 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3h42 n SER 376 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h42 n THR 377 N -1.75 0.40 -2.89 6.66 -2.24 -1.26 -0.03 114.28 113.17 3h42 n THR 377 Ca 0.02 -0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 3h42 n THR 377 Cb 0.13 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3h42 n THR 377 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h42 s PHE 379 N -1.88 1.80 0.05 0.00 0.40 -1.26 -1.38 117.98 115.71 3h42 s PHE 379 Ca 0.54 -0.48 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 3h42 s PHE 379 Cb -0.13 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.54 3h42 s PHE 379 CO 0.18 0.34 0.36 0.54 0.70 0.00 0.00 175.22 177.35 3h42 s VAL 380 N -2.21 0.07 -0.13 -0.44 0.11 0.59 -4.71 120.40 113.66 3h42 s VAL 380 Ca 0.17 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 3h42 s VAL 380 Cb -0.05 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3h42 s VAL 380 CO 0.07 -0.31 0.07 -0.55 -3.33 0.00 0.00 175.10 171.05 3h42 s SER 381 N -2.05 5.80 0.07 3.54 0.15 -1.26 -0.74 113.70 119.21 3h42 s SER 381 Ca -0.05 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.85 3h42 s SER 381 Cb -0.01 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 3h42 s SER 381 CO -0.03 0.32 -0.05 -1.10 1.20 0.00 0.00 173.24 173.58 3h42 s GLN 382 N -0.50 0.71 0.04 5.44 -0.21 -0.63 -4.82 119.66 119.69 3h42 s GLN 382 Ca 0.11 -1.27 0.05 0.00 0.02 0.00 0.00 55.36 54.26 3h42 s GLN 382 Cb -0.12 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 3h42 s GLN 382 CO 0.02 -0.06 -0.14 -1.12 -2.12 0.00 0.00 175.29 171.87 3h42 s SER 383 N -2.96 1.60 0.00 5.90 0.01 -1.26 -1.15 113.70 115.84 3h42 s SER 383 Ca 0.09 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3h42 s SER 383 Cb 0.06 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3h42 s SER 383 CO -0.07 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3h42 n GLY 384 N 1.83 3.12 0.13 3.44 0.00 0.10 -4.91 105.19 108.91 3h42 n GLY 384 Ca -0.18 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.63 3h42 n GLY 384 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h42 n THR 385 N -1.51 0.79 -0.05 2.61 -2.24 -1.26 -2.21 114.28 110.41 3h42 n THR 385 Ca 0.00 0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.85 3h42 n THR 385 Cb 0.00 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 3h42 n THR 385 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h42 h SER 386 N 0.00 0.09 -0.71 3.42 0.02 -1.90 -0.08 113.55 114.38 3h42 h SER 386 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3h42 h SER 386 Cb 0.42 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3h42 h SER 386 CO 0.00 0.08 0.32 1.56 -1.14 0.00 0.00 176.83 177.65 3h42 h GLN 387 N 0.18 1.06 -0.17 3.45 7.50 -1.77 -1.31 115.11 124.04 3h42 h GLN 387 Ca 0.09 -0.16 -0.02 0.00 0.50 0.00 0.00 58.65 59.06 3h42 h GLN 387 Cb 0.06 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 3h42 h GLN 387 CO -0.10 0.84 0.02 0.00 -1.50 0.00 0.00 178.83 178.09 3h42 h ALA 388 N 1.31 0.22 -0.70 3.87 0.00 -1.41 -2.31 119.26 120.24 3h42 h ALA 388 Ca 0.25 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3h42 h ALA 388 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3h42 h ALA 388 CO -0.03 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.58 3h42 h ALA 389 N 0.81 1.61 -0.39 0.00 0.00 -0.71 -0.79 119.26 119.80 3h42 h ALA 389 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h42 h ALA 389 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h42 h ALA 389 CO 0.00 0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.67 3h42 h ALA 390 N 1.59 1.46 -0.28 0.00 0.00 -0.89 -0.91 119.26 120.23 3h42 h ALA 390 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h42 h ALA 390 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h42 h ALA 390 CO -0.08 0.40 0.10 0.45 0.00 0.00 0.00 179.25 180.12 3h42 h HIS 391 N 0.56 0.44 0.00 0.00 3.86 -0.60 -1.63 115.15 117.78 3h42 h HIS 391 Ca 0.13 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3h42 h HIS 391 Cb 0.20 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3h42 h HIS 391 CO 0.01 0.46 -0.35 0.28 0.86 0.00 0.00 177.93 179.19 3h42 h VAL 392 N 0.30 1.08 -0.22 2.45 2.07 -1.14 -0.92 116.25 119.86 3h42 h VAL 392 Ca 0.09 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 3h42 h VAL 392 Cb 0.21 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3h42 h VAL 392 CO -0.01 0.34 -0.47 0.00 0.02 0.00 0.00 177.57 177.46 3h42 h ALA 393 N 1.65 0.77 -0.39 1.67 0.00 -0.91 -0.14 119.26 121.91 3h42 h ALA 393 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3h42 h ALA 393 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h42 h ALA 393 CO 0.05 0.67 0.02 0.78 0.00 0.00 0.00 179.25 180.76 3h42 h GLY 394 N 1.05 0.73 0.97 0.00 0.00 -0.77 -1.78 103.07 103.27 3h42 h GLY 394 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3h42 h GLY 394 CO 0.09 0.48 0.23 -2.22 0.00 0.00 0.00 176.54 175.12 3h42 h ILE 395 N 0.50 1.16 -0.93 2.60 2.04 -1.04 -1.54 117.51 120.31 3h42 h ILE 395 Ca 0.11 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3h42 h ILE 395 Cb 0.44 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3h42 h ILE 395 CO 0.02 0.16 0.61 0.00 0.00 0.00 0.00 178.15 178.93 3h42 h ALA 396 N 1.09 1.42 -0.32 1.87 0.00 -0.98 -1.50 119.26 120.83 3h42 h ALA 396 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3h42 h ALA 396 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3h42 h ALA 396 CO -0.02 0.48 -0.30 0.00 0.00 0.00 0.00 179.25 179.40 3h42 h ALA 397 N 1.47 0.87 -0.11 0.00 0.00 -0.66 -1.00 119.26 119.84 3h42 h ALA 397 Ca 0.37 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3h42 h ALA 397 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h42 h ALA 397 CO -0.12 0.63 -0.61 0.52 0.00 0.00 0.00 179.25 179.67 3h42 h MET 398 N 0.58 0.37 -0.45 0.00 2.07 -0.96 -1.41 114.93 115.13 3h42 h MET 398 Ca 0.07 -0.26 -0.10 0.00 -2.07 0.00 0.00 59.70 57.34 3h42 h MET 398 Cb 0.81 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.56 3h42 h MET 398 CO 0.07 0.87 -0.10 0.52 1.07 0.00 0.00 176.91 179.34 3h42 h MET 399 N 0.27 0.86 0.00 1.72 2.86 -0.95 -2.93 114.93 116.76 3h42 h MET 399 Ca -0.01 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.24 3h42 h MET 399 Cb 1.15 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3h42 h MET 399 CO 0.10 0.96 -0.31 -0.07 1.06 0.00 0.00 176.91 178.66 3h42 h LEU 400 N 0.70 0.00 -1.03 1.22 3.38 -1.17 -0.50 115.31 117.90 3h42 h LEU 400 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3h42 h LEU 400 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3h42 h LEU 400 CO 0.04 0.31 -0.26 -1.28 0.09 0.00 0.00 178.44 177.34 3h42 h SER 401 N 0.00 0.37 0.46 -0.43 0.87 -1.20 -2.01 113.55 111.62 3h42 h SER 401 Ca -0.00 -0.12 -0.30 0.00 -1.23 0.00 0.00 61.79 60.14 3h42 h SER 401 Cb 1.21 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.02 3h42 h SER 401 CO 0.04 0.64 -1.71 0.00 -0.53 0.00 0.00 176.83 175.27 3h42 h ALA 402 N 1.39 0.70 -2.58 6.23 0.00 -1.33 -3.42 119.26 120.27 3h42 h ALA 402 Ca 0.05 -1.43 -0.60 0.00 0.00 0.00 0.00 54.91 52.93 3h42 h ALA 402 Cb 0.64 0.49 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3h42 h ALA 402 CO 0.05 1.53 -0.81 0.39 0.00 0.00 0.00 179.25 180.40 3h42 n GLU 403 N -3.13 1.03 0.31 0.00 1.02 -0.21 -4.97 120.64 114.69 3h42 n GLU 403 Ca -0.18 -3.78 0.19 0.00 -0.02 0.00 0.00 57.16 53.37 3h42 n GLU 403 Cb 1.05 -1.90 0.97 0.00 -0.02 0.00 0.00 31.44 31.54 3h42 n GLU 403 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3h42 h PRO 404 N 5.26 0.00 0.00 3.49 0.11 -1.61 -0.59 132.00 138.66 3h42 h PRO 404 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3h42 h PRO 404 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3h42 h PRO 404 CO 0.54 0.00 -0.54 0.39 -0.21 0.00 0.00 178.00 178.18 3h42 n GLU 405 N -3.14 0.17 -1.59 1.05 -0.58 -1.26 -4.55 120.64 110.74 3h42 n GLU 405 Ca -0.02 0.05 -0.48 0.00 -0.42 0.00 0.00 57.16 56.29 3h42 n GLU 405 Cb 0.26 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 3h42 n GLU 405 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h42 n LEU 406 N -1.85 1.73 -4.94 -4.62 4.77 -0.23 -4.98 117.00 106.88 3h42 n LEU 406 Ca 0.04 1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 56.92 3h42 n LEU 406 Cb 0.40 -1.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 3h42 n LEU 406 CO 0.35 -1.18 0.38 0.42 -1.33 0.00 0.00 177.39 176.03 3h42 s THR 407 N -0.13 3.85 0.14 -5.08 -4.23 -1.26 -4.93 115.64 104.00 3h42 s THR 407 Ca 0.73 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 3h42 s THR 407 Cb -0.83 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 3h42 s THR 407 CO 0.51 -0.38 1.72 0.25 -0.54 0.00 0.00 174.62 176.19 3h42 h LEU 408 N 0.18 -0.04 -0.47 4.79 5.85 -1.92 0.45 115.31 124.15 3h42 h LEU 408 Ca -0.46 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3h42 h LEU 408 Cb 1.25 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3h42 h LEU 408 CO 0.58 0.01 0.22 0.00 -0.34 0.00 0.00 178.44 178.92 3h42 h ALA 409 N 1.21 0.59 -0.67 1.25 0.00 -1.97 0.16 119.26 119.83 3h42 h ALA 409 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3h42 h ALA 409 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h42 h ALA 409 CO -0.19 -0.14 0.25 0.93 0.00 0.00 0.00 179.25 180.10 3h42 h GLU 410 N 0.44 1.02 -0.62 0.00 5.08 -1.88 -2.11 114.58 116.50 3h42 h GLU 410 Ca 0.21 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3h42 h GLU 410 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3h42 h GLU 410 CO -0.16 0.87 0.01 1.25 -1.00 0.00 0.00 179.01 179.98 3h42 h LEU 411 N 0.97 1.06 -0.45 1.33 6.46 -0.13 -1.56 115.31 122.99 3h42 h LEU 411 Ca 0.22 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 3h42 h LEU 411 Cb 0.24 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3h42 h LEU 411 CO -0.01 1.10 0.13 -0.09 -0.62 0.00 0.00 178.44 178.94 3h42 h ARG 412 N 0.99 0.71 -0.35 1.25 2.43 -0.54 -0.73 114.38 118.15 3h42 h ARG 412 Ca 0.18 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3h42 h ARG 412 Cb 0.55 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3h42 h ARG 412 CO 0.03 0.69 -0.03 1.96 -1.51 0.00 0.00 179.97 181.11 3h42 h GLN 413 N 0.59 0.55 -0.17 0.20 1.08 -1.23 -1.69 115.11 114.45 3h42 h GLN 413 Ca 0.14 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 3h42 h GLN 413 Cb 0.28 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3h42 h GLN 413 CO -0.00 0.60 -0.57 0.00 -0.95 0.00 0.00 178.83 177.91 3h42 h ARG 414 N 0.52 0.68 -0.47 1.46 3.08 -1.00 -0.39 114.38 118.27 3h42 h ARG 414 Ca 0.11 -0.51 0.05 0.00 0.07 0.00 0.00 59.98 59.70 3h42 h ARG 414 Cb 0.39 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 3h42 h ARG 414 CO 0.02 1.13 0.20 -0.07 -1.07 0.00 0.00 179.97 180.18 3h42 h LEU 415 N 0.37 0.26 -0.26 3.04 3.38 -0.94 -0.83 115.31 120.33 3h42 h LEU 415 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3h42 h LEU 415 Cb 1.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3h42 h LEU 415 CO 0.12 0.18 0.12 0.40 0.09 0.00 0.00 178.44 179.35 3h42 h ILE 416 N 0.40 1.16 -0.58 1.22 2.04 -1.26 -2.91 117.51 117.59 3h42 h ILE 416 Ca 0.21 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3h42 h ILE 416 Cb 0.17 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3h42 h ILE 416 CO -0.18 0.16 0.10 -0.74 0.00 0.00 0.00 178.15 177.48 3h42 h HIS 417 N 0.29 0.96 -0.50 1.37 2.76 -0.66 -3.11 115.15 116.26 3h42 h HIS 417 Ca 0.09 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3h42 h HIS 417 Cb 0.14 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.83 3h42 h HIS 417 CO -0.02 0.82 0.00 1.19 -1.30 0.00 0.00 177.93 178.63 3h42 n PHE 418 N -4.24 0.65 -2.28 5.26 3.01 -0.35 -4.94 117.46 114.56 3h42 n PHE 418 Ca 0.04 -0.33 -0.32 0.00 1.01 0.00 0.00 57.45 57.85 3h42 n PHE 418 Cb 0.26 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.71 3h42 n PHE 418 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3h42 s SER 419 N -1.23 6.42 0.08 4.37 0.01 -1.10 -4.33 113.70 117.91 3h42 s SER 419 Ca 0.40 1.61 -0.31 0.00 1.31 0.00 0.00 55.95 58.96 3h42 s SER 419 Cb 0.22 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 3h42 s SER 419 CO 0.29 -0.73 1.53 0.00 0.41 0.00 0.00 173.24 174.75 3h42 s ALA 420 N -2.63 3.66 0.04 1.44 0.00 -0.11 -4.81 121.76 119.35 3h42 s ALA 420 Ca 0.60 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.57 3h42 s ALA 420 Cb -0.11 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 3h42 s ALA 420 CO 0.34 -0.92 0.41 0.15 0.00 0.00 0.00 175.76 175.74 3h42 s LYS 421 N 2.08 3.85 -1.86 0.00 3.01 -1.26 -1.54 119.74 124.02 3h42 s LYS 421 Ca 0.69 0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.97 3h42 s LYS 421 Cb -0.38 -3.11 0.00 0.00 -1.01 0.00 0.00 37.83 33.33 3h42 s LYS 421 CO 0.30 0.63 0.00 -0.25 0.51 0.00 0.00 175.35 176.54 3h42 n ASP 422 N 1.39 -5.42 0.03 2.83 8.00 -0.65 -4.85 116.55 117.89 3h42 n ASP 422 Ca -0.11 0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.76 3h42 n ASP 422 Cb 0.52 -4.54 0.35 0.00 -0.02 0.00 0.00 41.12 37.44 3h42 n ASP 422 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h42 n VAL 423 N -3.17 0.18 -3.51 2.53 0.24 -1.26 -4.86 118.33 108.48 3h42 n VAL 423 Ca -0.21 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.34 61.61 3h42 n VAL 423 Cb 0.65 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3h42 n VAL 423 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3h42 s ILE 424 N -3.06 5.23 -0.46 1.34 1.01 -1.26 -4.76 121.20 119.24 3h42 s ILE 424 Ca 0.11 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 3h42 s ILE 424 Cb 0.16 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.99 3h42 s ILE 424 CO 0.64 0.44 1.09 0.21 0.00 0.00 0.00 174.94 177.32 3h42 s ASN 425 N 0.03 6.63 0.00 3.58 3.84 -1.26 -4.89 114.94 122.87 3h42 s ASN 425 Ca 0.20 0.44 0.20 0.00 0.21 0.00 0.00 52.86 53.91 3h42 s ASN 425 Cb -0.14 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.02 3h42 s ASN 425 CO 0.07 -1.19 1.61 -1.84 -2.79 0.00 0.00 177.10 172.97 3h42 n GLU 426 N 7.65 0.28 0.26 0.43 0.28 -1.26 -2.87 120.64 125.41 3h42 n GLU 426 Ca 0.11 0.10 0.10 0.00 -0.16 0.00 0.00 57.16 57.31 3h42 n GLU 426 Cb 0.49 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.57 3h42 n GLU 426 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h42 h ALA 427 N 2.93 1.68 -0.68 -1.84 0.00 -1.98 -1.45 119.26 117.92 3h42 h ALA 427 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h42 h ALA 427 Cb 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3h42 h ALA 427 CO 0.00 0.07 0.45 2.35 0.00 0.00 0.00 179.25 182.12 3h42 h TRP 428 N 0.00 0.71 -4.09 0.00 7.01 -1.96 -3.43 115.95 114.19 3h42 h TRP 428 Ca -0.00 0.02 -0.45 0.00 2.11 0.00 0.00 58.89 60.57 3h42 h TRP 428 Cb 0.12 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3h42 h TRP 428 CO 0.00 0.38 0.35 -0.06 -2.79 0.00 0.00 178.44 176.33 3h42 s PHE 429 N -5.63 3.29 0.66 2.65 2.99 -0.55 -5.02 117.98 116.37 3h42 s PHE 429 Ca -0.09 1.57 -0.18 0.00 0.00 0.00 0.00 56.93 58.23 3h42 s PHE 429 Cb 0.19 -2.87 -0.01 0.00 0.00 0.00 0.00 43.02 40.33 3h42 s PHE 429 CO 0.76 -0.28 1.22 -0.35 -0.00 0.00 0.00 175.22 176.57 3h42 n PRO 430 N -0.92 0.98 -0.19 0.24 -0.04 -1.26 -4.83 135.00 128.97 3h42 n PRO 430 Ca 0.07 0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3h42 n PRO 430 Cb 0.54 -2.45 0.10 0.00 -0.04 0.00 0.00 33.50 31.64 3h42 n PRO 430 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3h42 h GLU 431 N 0.37 0.29 0.00 0.54 4.81 -1.91 -0.78 114.58 117.89 3h42 h GLU 431 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3h42 h GLU 431 Cb 1.34 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3h42 h GLU 431 CO 0.52 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.59 3h42 n ASP 432 N -5.08 0.00 -0.09 1.04 5.75 -1.26 -2.26 116.55 114.65 3h42 n ASP 432 Ca 0.08 -1.03 0.05 0.00 -0.01 0.00 0.00 54.79 53.88 3h42 n ASP 432 Cb 0.28 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 3h42 n ASP 432 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h42 n GLN 433 N -0.86 3.13 -0.09 0.11 1.13 -0.31 -4.67 117.38 115.82 3h42 n GLN 433 Ca 0.14 -0.23 -0.05 0.00 -1.94 0.00 0.00 57.00 54.92 3h42 n GLN 433 Cb 0.06 -1.01 0.15 0.00 0.11 0.00 0.00 30.24 29.55 3h42 n GLN 433 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h42 h ARG 434 N 0.42 0.76 0.00 -1.09 3.08 -1.33 -1.92 114.38 114.29 3h42 h ARG 434 Ca 0.00 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3h42 h ARG 434 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3h42 h ARG 434 CO 0.00 0.82 -0.58 -0.24 -1.07 0.00 0.00 179.97 178.89 3h42 h VAL 435 N 0.69 1.12 0.00 2.04 3.04 -1.83 -3.25 116.25 118.05 3h42 h VAL 435 Ca 0.12 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 3h42 h VAL 435 Cb 0.54 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 3h42 h VAL 435 CO 0.03 0.57 -0.29 -0.07 -1.01 0.00 0.00 177.57 176.80 3h42 h LEU 436 N 0.00 0.00 -8.96 3.16 3.38 -1.72 -3.45 115.31 107.72 3h42 h LEU 436 Ca -0.01 -0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.32 3h42 h LEU 436 Cb 1.29 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 3h42 h LEU 436 CO 0.08 0.01 -0.52 -0.89 0.09 0.00 0.00 178.44 177.20 3h42 s THR 437 N -3.23 5.28 0.21 0.22 2.01 -0.77 -3.20 115.64 116.15 3h42 s THR 437 Ca 0.06 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 3h42 s THR 437 Cb 0.08 -3.49 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3h42 s THR 437 CO 0.69 0.29 1.55 -2.84 -0.69 0.00 0.00 174.62 173.62 3h42 s PRO 438 N 1.48 4.21 -1.23 4.92 0.02 -1.26 -4.90 135.00 138.23 3h42 s PRO 438 Ca 0.07 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 3h42 s PRO 438 Cb -0.15 -3.12 0.19 0.00 0.02 0.00 0.00 34.50 31.44 3h42 s PRO 438 CO 0.08 -0.57 1.71 -1.71 -0.33 0.00 0.00 177.00 176.19 3h42 n ASN 439 N 3.31 5.31 -3.96 2.53 2.85 -1.26 -4.80 115.26 119.24 3h42 n ASN 439 Ca 0.11 -3.12 -0.21 0.00 -0.11 0.00 0.00 54.58 51.26 3h42 n ASN 439 Cb 0.39 -1.46 -0.16 0.00 1.24 0.00 0.00 39.78 39.78 3h42 n ASN 439 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3h42 s LEU 440 N -0.21 1.60 -0.14 1.20 1.43 -1.26 -1.64 118.68 119.66 3h42 s LEU 440 Ca 0.39 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3h42 s LEU 440 Cb 0.06 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3h42 s LEU 440 CO 0.01 0.01 -0.18 -0.69 0.23 0.00 0.00 176.35 175.74 3h42 s VAL 441 N 0.53 2.43 0.55 -1.59 1.01 -0.59 -1.16 120.40 121.57 3h42 s VAL 441 Ca -0.08 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 3h42 s VAL 441 Cb -0.12 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3h42 s VAL 441 CO 0.01 0.53 1.22 0.00 0.00 0.00 0.00 175.10 176.86 3h42 n ALA 442 N 4.00 1.07 -3.23 5.51 0.00 0.35 -0.93 120.51 127.28 3h42 n ALA 442 Ca -0.19 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 3h42 n ALA 442 Cb 0.52 -2.26 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 3h42 n ALA 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h42 s ALA 443 N -1.34 -0.86 0.26 0.00 0.00 -1.26 -4.48 121.76 114.08 3h42 s ALA 443 Ca 0.72 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3h42 s ALA 443 Cb -0.43 0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.69 3h42 s ALA 443 CO 0.49 -0.30 1.55 -0.51 0.00 0.00 0.00 175.76 176.99 3h42 s LEU 444 N -1.44 4.36 0.27 0.00 1.43 0.11 -4.64 118.68 118.77 3h42 s LEU 444 Ca -0.12 2.82 -0.31 0.00 -1.03 0.00 0.00 54.13 55.50 3h42 s LEU 444 Cb -0.04 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.43 3h42 s LEU 444 CO 0.04 -0.84 1.57 -2.65 0.23 0.00 0.00 176.35 174.69 3h42 n PRO 445 N 2.48 2.54 0.00 1.29 -0.02 -1.26 -4.40 135.00 135.63 3h42 n PRO 445 Ca 0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3h42 n PRO 445 Cb 0.38 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3h42 n PRO 445 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h42 n PRO 446 N 2.36 0.34 -3.67 0.52 -0.04 -1.26 -4.65 135.00 128.60 3h42 n PRO 446 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3h42 n PRO 446 Cb 0.35 -1.07 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 3h42 n PRO 446 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3h42 s SER 447 N -1.24 -0.60 0.48 3.54 1.04 -1.26 -4.62 113.70 111.03 3h42 s SER 447 Ca 0.00 1.09 0.15 0.00 0.48 0.00 0.00 55.95 57.67 3h42 s SER 447 Cb 0.00 1.11 1.14 0.00 0.10 0.00 0.00 66.02 68.37 3h42 s SER 447 CO 0.00 -0.21 2.08 0.74 0.98 0.00 0.00 173.24 176.83 3h42 h THR 448 N 5.57 0.98 0.00 2.02 2.02 -1.95 -3.51 112.91 118.03 3h42 h THR 448 Ca -0.30 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3h42 h THR 448 Cb 1.18 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3h42 h THR 448 CO 0.22 0.04 0.00 1.57 0.37 0.00 0.00 175.52 177.72 3h42 n HIS 449 N -4.49 0.00 -4.28 3.16 -0.00 -1.26 -4.82 115.22 103.52 3h42 n HIS 449 Ca 0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.91 3h42 n HIS 449 Cb 0.19 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.96 3h42 n HIS 449 CO 0.00 0.00 0.00 -0.46 0.46 0.00 0.00 176.34 176.34 3h42 s TRP 453 N -2.02 2.61 0.21 1.57 -0.00 -1.26 -5.09 118.94 114.95 3h42 s TRP 453 Ca 0.00 -0.23 -0.19 0.00 -0.00 0.00 0.00 56.10 55.68 3h42 s TRP 453 Cb 0.00 -1.35 0.03 0.00 -0.00 0.00 0.00 33.47 32.16 3h42 s TRP 453 CO 0.00 0.43 0.58 1.14 -0.00 0.00 0.00 176.95 179.10 3h42 s GLN 454 N -2.33 1.44 -0.36 5.86 -2.07 -1.26 -4.99 119.66 115.95 3h42 s GLN 454 Ca 0.20 -0.81 -0.16 0.00 -1.82 0.00 0.00 55.36 52.77 3h42 s GLN 454 Cb -0.10 0.55 -0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3h42 s GLN 454 CO 0.12 -0.63 0.41 -1.17 -1.32 0.00 0.00 175.29 172.70 3h42 s LEU 455 N -2.86 4.51 -0.17 2.60 2.96 -1.26 -5.02 118.68 119.45 3h42 s LEU 455 Ca 0.08 -0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3h42 s LEU 455 Cb -0.02 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 3h42 s LEU 455 CO -0.03 -0.42 0.21 -0.36 -1.32 0.00 0.00 176.35 174.43 3h42 s PHE 456 N 2.12 3.46 0.08 5.38 0.08 -1.26 -4.79 117.98 123.05 3h42 s PHE 456 Ca 0.13 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.71 3h42 s PHE 456 Cb -0.16 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3h42 s PHE 456 CO 0.12 0.33 -0.12 0.00 -0.10 0.00 0.00 175.22 175.45 3h42 s ARG 458 N -2.19 0.91 -0.13 0.00 1.70 0.39 -4.96 118.95 114.68 3h42 s ARG 458 Ca 0.01 -1.33 -0.09 0.00 -0.47 0.00 0.00 55.73 53.85 3h42 s ARG 458 Cb -0.07 -0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 33.83 3h42 s ARG 458 CO 0.01 0.04 0.18 0.99 -1.08 0.00 0.00 175.30 175.44 3h42 s THR 459 N -3.20 5.42 -0.23 4.99 2.01 -1.26 -0.84 115.64 122.52 3h42 s THR 459 Ca 0.12 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.43 3h42 s THR 459 Cb 0.02 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.12 3h42 s THR 459 CO -0.02 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 3h42 s VAL 460 N -0.56 1.80 0.17 3.82 1.01 -0.42 -4.99 120.40 121.23 3h42 s VAL 460 Ca 0.14 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 3h42 s VAL 460 Cb -0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 3h42 s VAL 460 CO 0.03 0.01 0.71 0.26 0.00 0.00 0.00 175.10 176.11 3h42 s TRP 461 N 1.29 3.78 0.72 5.22 0.52 -1.26 -1.47 118.94 127.73 3h42 s TRP 461 Ca -0.06 1.46 -0.05 0.00 0.02 0.00 0.00 56.10 57.47 3h42 s TRP 461 Cb -0.18 -2.65 0.09 0.00 -1.15 0.00 0.00 33.47 29.58 3h42 s TRP 461 CO -0.06 0.46 1.01 -1.54 0.02 0.00 0.00 176.95 176.84 3h42 s SER 462 N -1.35 4.56 0.71 2.95 1.04 -0.46 -4.97 113.70 116.17 3h42 s SER 462 Ca 0.37 0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 3h42 s SER 462 Cb -0.20 -0.72 0.03 0.00 0.10 0.00 0.00 66.02 65.23 3h42 s SER 462 CO 0.23 -1.74 1.13 0.00 0.98 0.00 0.00 173.24 173.84 3h42 s ALA 463 N -3.24 2.30 0.51 5.32 0.00 -1.26 -4.75 121.76 120.65 3h42 s ALA 463 Ca 0.63 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.94 3h42 s ALA 463 Cb -0.09 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3h42 s ALA 463 CO 0.45 -1.56 1.18 1.58 0.00 0.00 0.00 175.76 177.40 3h42 n HIS 464 N -2.76 1.70 0.09 0.00 -0.00 -1.26 -4.62 115.22 108.38 3h42 n HIS 464 Ca 0.11 0.47 -0.14 0.00 0.46 0.00 0.00 57.72 58.62 3h42 n HIS 464 Cb 0.52 -2.29 -0.13 0.00 -0.12 0.00 0.00 29.99 27.97 3h42 n HIS 464 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3h42 h SER 465 N 1.38 0.32 -5.00 0.26 4.64 -1.68 -3.48 113.55 109.98 3h42 h SER 465 Ca -0.48 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 3h42 h SER 465 Cb 1.32 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h42 h SER 465 CO 0.56 1.26 0.00 0.61 -0.87 0.00 0.00 176.83 178.39 3h42 n GLY 466 N 1.47 2.28 0.23 -0.77 0.00 -1.26 -4.63 105.19 102.51 3h42 n GLY 466 Ca -0.06 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.29 3h42 n GLY 466 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h42 h PRO 467 N 0.00 0.00 -6.51 1.61 0.11 -1.76 -3.33 132.00 122.12 3h42 h PRO 467 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 3h42 h PRO 467 Cb 0.00 0.00 0.17 0.00 0.11 0.00 0.00 31.00 31.28 3h42 h PRO 467 CO 0.00 0.00 -0.36 2.41 -0.21 0.00 0.00 178.00 179.84 3h42 n THR 468 N -2.68 2.31 0.16 -1.15 -1.04 -1.26 -4.64 114.28 105.97 3h42 n THR 468 Ca -0.00 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.53 3h42 n THR 468 Cb 0.19 -0.70 0.24 0.00 -1.82 0.00 0.00 70.33 68.23 3h42 n THR 468 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 3h42 h ARG 469 N 0.30 0.00 -0.38 -2.82 0.11 -1.85 -3.02 114.38 106.71 3h42 h ARG 469 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3h42 h ARG 469 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 3h42 h ARG 469 CO 0.47 0.51 0.00 -1.33 0.10 0.00 0.00 179.97 179.72 3h42 n MET 470 N -3.64 3.21 -2.38 0.08 2.81 -1.26 -4.38 117.12 111.57 3h42 n MET 470 Ca -0.01 -2.66 -0.40 0.00 -1.81 0.00 0.00 57.70 52.82 3h42 n MET 470 Cb 0.58 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 3h42 n MET 470 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h42 s ALA 471 N -2.15 3.43 0.04 3.04 0.00 -1.14 -4.88 121.76 120.09 3h42 s ALA 471 Ca 0.40 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.40 3h42 s ALA 471 Cb 0.28 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 3h42 s ALA 471 CO 0.14 -0.30 -0.15 0.95 0.00 0.00 0.00 175.76 176.40 3h42 s THR 472 N -1.08 1.20 0.05 0.00 -4.23 -1.26 -1.75 115.64 108.57 3h42 s THR 472 Ca 0.46 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 3h42 s THR 472 Cb -0.34 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 3h42 s THR 472 CO 0.44 0.03 0.04 0.00 -0.54 0.00 0.00 174.62 174.58 3h42 s ALA 473 N -0.86 3.44 -0.07 3.99 0.00 -0.55 -4.78 121.76 122.92 3h42 s ALA 473 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3h42 s ALA 473 Cb -0.08 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.67 3h42 s ALA 473 CO 0.01 0.71 -0.13 0.42 0.00 0.00 0.00 175.76 176.77 3h42 s ILE 474 N -1.27 1.21 -0.11 0.00 1.01 -1.26 -0.87 121.20 119.91 3h42 s ILE 474 Ca 0.25 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3h42 s ILE 474 Cb -0.12 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3h42 s ILE 474 CO 0.17 0.37 -0.16 0.00 0.00 0.00 0.00 174.94 175.32 3h42 s ALA 475 N 0.71 2.51 0.22 9.38 0.00 -0.18 -4.57 121.76 129.83 3h42 s ALA 475 Ca -0.14 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.02 3h42 s ALA 475 Cb -0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 3h42 s ALA 475 CO 0.03 0.29 -0.22 1.03 0.00 0.00 0.00 175.76 176.89 3h42 s ARG 476 N 0.24 1.56 0.33 0.00 0.52 -1.26 -1.53 118.95 118.80 3h42 s ARG 476 Ca -0.11 -1.61 0.07 0.00 -0.52 0.00 0.00 55.73 53.56 3h42 s ARG 476 Cb -0.16 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 3h42 s ARG 476 CO 0.06 0.36 0.42 0.00 0.02 0.00 0.00 175.30 176.16 3h42 s ALA 478 N -2.19 2.06 0.28 0.00 0.00 -1.26 -4.93 121.76 115.72 3h42 s ALA 478 Ca 0.43 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 3h42 s ALA 478 Cb -0.09 -3.43 0.49 0.00 0.00 0.00 0.00 23.12 20.10 3h42 s ALA 478 CO 0.30 -1.95 1.88 -1.35 0.00 0.00 0.00 175.76 174.63 3h42 h PRO 479 N -0.62 1.04 0.00 0.00 0.11 -2.03 -1.38 132.00 129.12 3h42 h PRO 479 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3h42 h PRO 479 Cb 1.28 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3h42 h PRO 479 CO 0.49 0.69 0.00 -0.25 -0.21 0.00 0.00 178.00 178.72 3h42 n ASP 480 N -4.53 0.00 -4.93 -2.05 9.92 -1.26 -4.86 116.55 108.84 3h42 n ASP 480 Ca 0.16 -0.22 -0.26 0.00 -0.53 0.00 0.00 54.79 53.95 3h42 n ASP 480 Cb 0.25 -0.24 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 3h42 n ASP 480 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3h42 s GLU 481 N -2.48 3.37 -0.11 -1.24 2.02 -0.52 -4.76 118.70 114.97 3h42 s GLU 481 Ca 0.28 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 3h42 s GLU 481 Cb 0.18 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3h42 s GLU 481 CO 0.40 0.51 0.08 -1.21 0.02 0.00 0.00 175.26 175.05 3h42 s GLU 482 N -3.29 3.24 -0.51 1.61 0.41 -0.05 -4.82 118.70 115.30 3h42 s GLU 482 Ca 0.34 -0.26 -0.24 0.00 -0.41 0.00 0.00 54.97 54.40 3h42 s GLU 482 Cb -0.11 -3.01 0.03 0.00 -1.78 0.00 0.00 34.13 29.27 3h42 s GLU 482 CO 0.28 0.74 0.90 -1.17 -0.49 0.00 0.00 175.26 175.52 3h42 s LEU 483 N -0.95 4.11 0.12 1.80 0.20 -1.26 -1.22 118.68 121.48 3h42 s LEU 483 Ca 0.14 -0.18 0.23 0.00 0.69 0.00 0.00 54.13 55.01 3h42 s LEU 483 Cb -0.12 -2.96 0.04 0.00 -0.43 0.00 0.00 46.19 42.72 3h42 s LEU 483 CO 0.03 -1.12 1.02 0.18 -0.29 0.00 0.00 176.35 176.18 3h42 n LEU 484 N 7.22 0.66 -3.83 -0.68 4.77 -0.71 -4.99 117.00 119.45 3h42 n LEU 484 Ca 0.03 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 3h42 n LEU 484 Cb 0.48 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3h42 n LEU 484 CO 0.63 -0.08 0.62 -0.94 -1.33 0.00 0.00 177.39 176.29 3h42 s SER 485 N -4.65 -0.04 -0.30 -1.43 1.04 -1.25 -2.89 113.70 104.18 3h42 s SER 485 Ca 0.01 -0.88 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 3h42 s SER 485 Cb 0.12 0.70 0.15 0.00 0.10 0.00 0.00 66.02 67.10 3h42 s SER 485 CO 0.79 -1.38 0.66 0.00 0.98 0.00 0.00 173.24 174.29 3h42 n SER 487 N 5.42 1.49 -3.70 0.00 3.41 -0.21 -4.55 113.62 115.48 3h42 n SER 487 Ca -0.08 -1.72 -0.11 0.00 -0.26 0.00 0.00 58.87 56.71 3h42 n SER 487 Cb 0.50 0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 3h42 n SER 487 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3h42 s SER 488 N -1.86 -0.15 -0.13 4.04 1.04 -1.25 -0.80 113.70 114.59 3h42 s SER 488 Ca 0.05 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 3h42 s SER 488 Cb 0.00 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.59 3h42 s SER 488 CO 0.03 -0.77 0.32 0.12 0.98 0.00 0.00 173.24 173.92 3h42 s PHE 489 N -3.45 -0.40 -0.03 5.02 5.36 -0.90 -2.39 117.98 121.19 3h42 s PHE 489 Ca 0.01 0.93 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3h42 s PHE 489 Cb 0.02 0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.85 3h42 s PHE 489 CO -0.09 -0.23 -0.02 0.45 -1.46 0.00 0.00 175.22 173.87 3h42 s SER 490 N 0.79 0.66 0.39 6.13 0.15 -0.84 -0.76 113.70 120.22 3h42 s SER 490 Ca -0.05 -0.08 0.18 0.00 0.70 0.00 0.00 55.95 56.70 3h42 s SER 490 Cb -0.06 -0.32 0.78 0.00 -1.71 0.00 0.00 66.02 64.71 3h42 s SER 490 CO -0.05 -0.07 1.80 0.03 1.20 0.00 0.00 173.24 176.15 3h42 h ARG 491 N 7.13 0.00 0.00 5.44 3.08 -1.85 -2.15 114.38 126.03 3h42 h ARG 491 Ca -0.40 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.48 3h42 h ARG 491 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 3h42 h ARG 491 CO 0.48 0.35 -0.83 0.66 -1.07 0.00 0.00 179.97 179.57 3h42 h SER 492 N 0.00 0.00 0.00 7.04 4.64 -1.94 -3.48 113.55 119.82 3h42 h SER 492 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h42 h SER 492 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h42 h SER 492 CO 0.05 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 3h42 n GLY 493 N 0.96 0.87 3.49 -0.77 0.00 -0.81 -5.01 105.19 103.91 3h42 n GLY 493 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3h42 n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h42 s LYS 494 N -0.77 3.25 0.15 1.61 1.02 -1.26 -4.85 119.74 118.89 3h42 s LYS 494 Ca 0.00 -0.87 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 3h42 s LYS 494 Cb 0.00 -4.44 -0.01 0.00 -0.52 0.00 0.00 37.83 32.85 3h42 s LYS 494 CO 0.00 -1.93 0.23 -0.98 -0.92 0.00 0.00 175.35 171.75 3h42 s ARG 495 N 4.33 1.08 -0.23 1.68 1.70 -1.26 -3.41 118.95 122.83 3h42 s ARG 495 Ca 0.29 -1.20 0.11 0.00 -0.47 0.00 0.00 55.73 54.46 3h42 s ARG 495 Cb -0.11 0.35 0.45 0.00 -0.57 0.00 0.00 34.95 35.06 3h42 s ARG 495 CO 0.06 -0.37 1.32 0.54 -1.08 0.00 0.00 175.30 175.76 3h42 n ARG 496 N -0.17 1.72 0.00 3.89 1.74 -0.87 -4.61 116.66 118.36 3h42 n ARG 496 Ca -0.08 -3.17 0.00 0.00 -0.77 0.00 0.00 57.85 53.83 3h42 n ARG 496 Cb 0.63 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3h42 n ARG 496 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h42 n GLY 497 N -1.12 -1.68 3.25 -0.13 0.00 -1.26 -1.87 105.19 102.38 3h42 n GLY 497 Ca 0.24 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3h42 n GLY 497 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h42 s GLU 498 N 0.00 0.99 0.03 1.61 1.03 -0.60 -1.47 118.70 120.28 3h42 s GLU 498 Ca 0.00 -1.18 -0.09 0.00 0.03 0.00 0.00 54.97 53.73 3h42 s GLU 498 Cb 0.00 0.33 0.00 0.00 -0.80 0.00 0.00 34.13 33.66 3h42 s GLU 498 CO 0.00 -0.32 0.20 -0.98 -1.33 0.00 0.00 175.26 172.82 3h42 s ARG 499 N -3.95 0.67 -0.34 -4.83 1.70 0.71 -2.85 118.95 110.06 3h42 s ARG 499 Ca 0.15 -0.59 -0.13 0.00 -0.47 0.00 0.00 55.73 54.69 3h42 s ARG 499 Cb 0.05 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3h42 s ARG 499 CO -0.03 -0.19 0.23 -1.64 -1.08 0.00 0.00 175.30 172.59 3h42 s MET 500 N -2.41 3.48 0.30 3.89 -1.94 -1.26 -0.66 119.30 120.70 3h42 s MET 500 Ca -0.06 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.34 3h42 s MET 500 Cb -0.02 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 3h42 s MET 500 CO -0.03 -0.44 0.15 -1.21 -0.01 0.00 0.00 175.02 173.48 3h42 s GLU 501 N 1.71 2.54 -0.05 2.03 2.02 -0.74 -4.92 118.70 121.29 3h42 s GLU 501 Ca 0.06 -1.36 -0.14 0.00 0.02 0.00 0.00 54.97 53.55 3h42 s GLU 501 Cb -0.17 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 3h42 s GLU 501 CO 0.10 0.23 0.37 0.00 0.02 0.00 0.00 175.26 175.98 3h42 s ALA 502 N -2.31 3.67 -0.13 5.21 0.00 -1.26 -0.87 121.76 126.07 3h42 s ALA 502 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3h42 s ALA 502 Cb -0.05 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.76 3h42 s ALA 502 CO 0.23 0.37 0.26 -0.65 0.00 0.00 0.00 175.76 175.98 3h42 s GLN 503 N -0.61 0.15 -1.45 0.00 -0.21 0.72 -4.86 119.66 113.40 3h42 s GLN 503 Ca 0.22 0.73 -0.10 0.00 0.02 0.00 0.00 55.36 56.23 3h42 s GLN 503 Cb -0.15 -0.04 0.04 0.00 1.00 0.00 0.00 33.01 33.85 3h42 s GLN 503 CO 0.10 -0.28 0.98 0.41 -2.12 0.00 0.00 175.29 174.39 3h42 n GLY 504 N 5.27 -0.52 2.52 3.09 0.00 -1.26 -1.48 105.19 112.81 3h42 n GLY 504 Ca -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3h42 n GLY 504 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h42 n GLY 505 N -1.77 1.07 3.26 -0.02 0.00 -1.26 -4.98 105.19 101.49 3h42 n GLY 505 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3h42 n GLY 505 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h42 s LYS 506 N -2.64 1.52 -0.10 1.61 2.47 -0.55 -5.12 119.74 116.93 3h42 s LYS 506 Ca 0.00 -0.92 -0.26 0.00 -1.56 0.00 0.00 55.97 53.23 3h42 s LYS 506 Cb 0.00 -1.60 -0.02 0.00 -1.46 0.00 0.00 37.83 34.75 3h42 s LYS 506 CO 0.00 0.42 0.85 -0.51 0.16 0.00 0.00 175.35 176.27 3h42 s LEU 507 N -1.03 4.26 0.34 5.43 1.43 -1.26 -0.20 118.68 127.66 3h42 s LEU 507 Ca 0.08 1.32 0.09 0.00 -1.03 0.00 0.00 54.13 54.60 3h42 s LEU 507 Cb -0.09 -3.31 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3h42 s LEU 507 CO 0.01 -0.31 -0.05 0.68 0.23 0.00 0.00 176.35 176.92 3h42 s VAL 508 N 1.57 2.39 -0.31 -1.59 -7.23 -0.05 -4.69 120.40 110.50 3h42 s VAL 508 Ca 0.42 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 3h42 s VAL 508 Cb -0.18 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.07 3h42 s VAL 508 CO 0.18 -0.19 0.08 0.00 -0.31 0.00 0.00 175.10 174.85 3h42 s ARG 510 N 1.44 3.47 -0.07 0.00 6.06 0.16 -1.01 118.95 129.00 3h42 s ARG 510 Ca 0.00 -0.59 -0.03 0.00 -2.50 0.00 0.00 55.73 52.61 3h42 s ARG 510 Cb -0.18 -3.00 -0.04 0.00 0.06 0.00 0.00 34.95 31.80 3h42 s ARG 510 CO 0.02 -0.08 0.06 0.00 -2.50 0.00 0.00 175.30 172.80 3h42 s ALA 511 N 1.18 3.51 -0.08 6.12 0.00 -0.05 -0.21 121.76 132.23 3h42 s ALA 511 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3h42 s ALA 511 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3h42 s ALA 511 CO -0.00 0.62 -0.07 -1.01 0.00 0.00 0.00 175.76 175.30 3h42 s HIS 512 N -1.00 2.95 0.29 0.00 0.09 -0.54 -1.48 115.29 115.59 3h42 s HIS 512 Ca 0.16 -0.04 -0.14 0.00 -0.00 0.00 0.00 55.06 55.04 3h42 s HIS 512 Cb -0.12 -1.75 -0.08 0.00 -0.00 0.00 0.00 32.58 30.63 3h42 s HIS 512 CO 0.06 0.26 0.68 1.21 -0.00 0.00 0.00 174.74 176.95 3h42 s ASN 513 N -0.61 6.74 0.59 1.40 2.47 -0.72 -2.04 114.94 122.78 3h42 s ASN 513 Ca 0.09 1.18 -0.14 0.00 0.42 0.00 0.00 52.86 54.41 3h42 s ASN 513 Cb -0.12 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.31 3h42 s ASN 513 CO 0.02 -0.15 1.03 0.00 -3.72 0.00 0.00 177.10 174.28 3h42 s ALA 514 N -1.90 2.92 -0.29 1.71 0.00 -1.22 -4.41 121.76 118.56 3h42 s ALA 514 Ca 0.51 0.16 0.27 0.00 0.00 0.00 0.00 51.96 52.90 3h42 s ALA 514 Cb -0.11 -3.15 1.11 0.00 0.00 0.00 0.00 23.12 20.97 3h42 s ALA 514 CO 0.19 -0.66 1.80 0.74 0.00 0.00 0.00 175.76 177.83 3h42 h PHE 515 N 0.24 0.00 -0.31 0.00 0.05 -1.91 -2.18 116.94 112.83 3h42 h PHE 515 Ca -0.46 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.33 3h42 h PHE 515 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.15 3h42 h PHE 515 CO 0.63 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 179.17 3h42 n GLY 516 N -0.01 2.99 3.97 -1.45 0.00 -1.26 -4.75 105.19 104.68 3h42 n GLY 516 Ca 0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 3h42 n GLY 516 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h42 s GLY 517 N -1.15 1.38 0.00 -0.02 0.00 -0.82 -5.00 107.32 101.72 3h42 s GLY 517 Ca 0.25 -1.23 0.24 0.00 0.00 0.00 0.00 44.72 43.98 3h42 s GLY 517 CO 0.14 -1.19 1.29 -1.84 0.00 0.00 0.00 173.10 171.50 3h42 n GLU 518 N -1.61 0.56 0.00 2.90 -0.00 -1.26 -4.61 120.64 116.62 3h42 n GLU 518 Ca -0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 57.16 56.72 3h42 n GLU 518 Cb 0.57 -1.49 0.00 0.00 -0.00 0.00 0.00 31.44 30.52 3h42 n GLU 518 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h42 n GLY 519 N 1.43 4.60 3.24 -1.84 0.00 -1.25 -2.68 105.19 108.69 3h42 n GLY 519 Ca 0.08 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 3h42 n GLY 519 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h42 s VAL 520 N -2.00 1.35 -0.02 1.61 -7.23 -1.26 -4.66 120.40 108.19 3h42 s VAL 520 Ca 0.00 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.48 3h42 s VAL 520 Cb 0.00 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 3h42 s VAL 520 CO 0.00 -0.33 0.26 -0.31 -0.31 0.00 0.00 175.10 174.40 3h42 s TYR 521 N -1.85 3.60 -0.05 2.82 1.51 0.06 -1.89 117.35 121.55 3h42 s TYR 521 Ca 0.07 0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.62 3h42 s TYR 521 Cb -0.07 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 3h42 s TYR 521 CO 0.03 0.64 0.30 0.00 -1.11 0.00 0.00 175.55 175.41 3h42 s ALA 522 N -1.23 3.77 -0.17 3.71 0.00 -1.26 -2.12 121.76 124.46 3h42 s ALA 522 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3h42 s ALA 522 Cb -0.13 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.82 3h42 s ALA 522 CO 0.14 0.54 -0.03 0.42 0.00 0.00 0.00 175.76 176.83 3h42 s ILE 523 N -1.07 0.96 0.08 0.00 1.01 0.02 -1.35 121.20 120.86 3h42 s ILE 523 Ca 0.20 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3h42 s ILE 523 Cb -0.15 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3h42 s ILE 523 CO 0.10 0.02 0.21 0.00 0.00 0.00 0.00 174.94 175.27 3h42 s ALA 524 N 1.68 3.93 -0.23 9.38 0.00 -0.54 -1.05 121.76 134.93 3h42 s ALA 524 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3h42 s ALA 524 Cb -0.16 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.21 3h42 s ALA 524 CO -0.07 0.75 -0.06 0.50 0.00 0.00 0.00 175.76 176.88 3h42 s ARG 525 N -2.66 3.13 -0.13 0.00 6.06 -0.91 -1.30 118.95 123.13 3h42 s ARG 525 Ca 0.34 -0.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.80 3h42 s ARG 525 Cb -0.12 -2.97 -0.01 0.00 0.06 0.00 0.00 34.95 31.91 3h42 s ARG 525 CO 0.27 -0.28 -0.16 0.00 -2.50 0.00 0.00 175.30 172.63 3h42 s LEU 528 N -1.80 4.77 -0.41 0.00 1.43 -0.62 -0.87 118.68 121.18 3h42 s LEU 528 Ca -0.05 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 3h42 s LEU 528 Cb -0.08 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 43.73 3h42 s LEU 528 CO 0.00 -1.00 0.16 -0.22 0.23 0.00 0.00 176.35 175.53 3h42 s LEU 529 N 2.98 3.55 0.31 1.79 0.20 -1.26 -4.33 118.68 121.93 3h42 s LEU 529 Ca 0.19 -2.39 -0.29 0.00 0.69 0.00 0.00 54.13 52.32 3h42 s LEU 529 Cb -0.18 -1.31 -0.11 0.00 -0.43 0.00 0.00 46.19 44.16 3h42 s LEU 529 CO 0.13 -0.32 1.51 -2.16 -0.29 0.00 0.00 176.35 175.22 3h42 s PRO 530 N 0.61 4.16 -1.58 0.98 0.04 -1.26 -2.87 135.00 135.08 3h42 s PRO 530 Ca 0.14 2.49 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 3h42 s PRO 530 Cb -0.22 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3h42 s PRO 530 CO -0.07 -0.53 0.30 1.04 0.04 0.00 0.00 177.00 177.78 3h42 n GLN 531 N 1.57 -3.17 -3.52 4.56 6.02 -1.26 -4.71 117.38 116.86 3h42 n GLN 531 Ca 0.05 0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 57.59 3h42 n GLN 531 Cb 0.39 -5.59 -0.06 0.00 1.02 0.00 0.00 30.24 26.00 3h42 n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h42 s ALA 532 N -3.07 3.70 -0.36 -1.58 0.00 -1.14 -4.61 121.76 114.70 3h42 s ALA 532 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3h42 s ALA 532 Cb -0.07 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 20.81 3h42 s ALA 532 CO 0.18 0.52 0.08 0.00 0.00 0.00 0.00 175.76 176.54 3h42 s ALA 533 N -1.30 2.89 0.34 0.00 0.00 0.16 -4.95 121.76 118.91 3h42 s ALA 533 Ca 0.30 -2.59 0.07 0.00 0.00 0.00 0.00 51.96 49.75 3h42 s ALA 533 Cb -0.15 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3h42 s ALA 533 CO 0.17 -1.73 0.45 0.00 0.00 0.00 0.00 175.76 174.65 3h42 s SER 535 N -4.16 -0.34 -0.04 0.00 1.04 0.35 -4.97 113.70 105.59 3h42 s SER 535 Ca 0.45 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.87 3h42 s SER 535 Cb -0.09 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3h42 s SER 535 CO 0.30 -0.62 -0.08 -0.69 0.98 0.00 0.00 173.24 173.14 3h42 s VAL 536 N -3.09 3.60 -0.06 5.02 1.01 -1.26 -0.74 120.40 124.88 3h42 s VAL 536 Ca 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3h42 s VAL 536 Cb -0.01 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3h42 s VAL 536 CO -0.08 0.53 -0.10 -1.00 0.00 0.00 0.00 175.10 174.45 3h42 s HIS 537 N -0.86 1.31 0.07 5.22 3.76 -0.34 -4.95 115.29 119.50 3h42 s HIS 537 Ca 0.14 -0.48 0.09 0.00 -0.15 0.00 0.00 55.06 54.66 3h42 s HIS 537 Cb -0.11 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 3h42 s HIS 537 CO 0.03 -0.27 -0.25 0.99 -0.85 0.00 0.00 174.74 174.39 3h42 s THR 538 N 0.77 2.08 -0.03 1.30 2.01 -1.26 -1.03 115.64 119.49 3h42 s THR 538 Ca -0.13 -1.48 0.04 0.00 0.31 0.00 0.00 61.69 60.43 3h42 s THR 538 Cb -0.15 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 3h42 s THR 538 CO 0.02 0.24 -0.15 0.00 -0.69 0.00 0.00 174.62 174.05 3h42 s ALA 539 N -0.90 1.29 0.95 7.40 0.00 -0.66 -4.99 121.76 124.84 3h42 s ALA 539 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 3h42 s ALA 539 Cb -0.10 -0.41 0.16 0.00 0.00 0.00 0.00 23.12 22.77 3h42 s ALA 539 CO 0.03 0.25 1.11 -1.25 0.00 0.00 0.00 175.76 175.90 3h42 s PRO 540 N -0.01 0.84 0.74 0.00 0.04 -1.26 -1.26 135.00 134.09 3h42 s PRO 540 Ca -0.01 0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 3h42 s PRO 540 Cb -0.09 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.68 3h42 s PRO 540 CO 0.01 -2.45 1.05 -2.30 0.04 0.00 0.00 177.00 173.36 3h42 n PRO 541 N -3.97 0.46 -0.02 0.56 -0.02 -1.24 -4.78 135.00 125.98 3h42 n PRO 541 Ca 0.06 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.71 3h42 n PRO 541 Cb 0.58 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3h42 n PRO 541 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h42 n ALA 542 N -2.69 2.43 -3.03 3.55 0.00 0.72 -5.00 120.51 116.48 3h42 n ALA 542 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3h42 n ALA 542 Cb 0.50 0.42 0.05 0.00 0.00 0.00 0.00 19.45 20.42 3h42 n ALA 542 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h42 n GLU 543 N -3.03 -1.89 -4.26 0.00 4.71 -1.17 -5.06 120.64 109.94 3h42 n GLU 543 Ca -0.09 0.85 -0.14 0.00 -0.01 0.00 0.00 57.16 57.76 3h42 n GLU 543 Cb 0.57 -5.33 -0.10 0.00 -1.01 0.00 0.00 31.44 25.57 3h42 n GLU 543 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h42 s ALA 544 N -3.30 1.48 0.31 0.62 0.00 -1.26 -5.04 121.76 114.56 3h42 s ALA 544 Ca 0.36 -1.53 0.13 0.00 0.00 0.00 0.00 51.96 50.92 3h42 s ALA 544 Cb -0.05 0.13 0.57 0.00 0.00 0.00 0.00 23.12 23.78 3h42 s ALA 544 CO 0.66 -0.13 1.73 0.77 0.00 0.00 0.00 175.76 178.78 3h42 h SER 545 N 2.74 0.00 -0.25 0.00 0.02 -2.02 -2.42 113.55 111.62 3h42 h SER 545 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3h42 h SER 545 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3h42 h SER 545 CO 0.64 0.47 0.00 0.23 -1.14 0.00 0.00 176.83 177.03 3h42 n MET 546 N -3.90 1.69 0.00 3.45 2.81 -1.26 -5.04 117.12 114.87 3h42 n MET 546 Ca -0.01 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.81 3h42 n MET 546 Cb 0.50 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3h42 n MET 546 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h42 n GLY 547 N 1.04 -0.91 3.80 3.03 0.00 -0.91 -4.74 105.19 106.49 3h42 n GLY 547 Ca 0.13 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3h42 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h42 s THR 548 N 0.00 5.33 0.01 2.61 2.01 -0.89 -4.58 115.64 120.13 3h42 s THR 548 Ca 0.00 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3h42 s THR 548 Cb 0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 3h42 s THR 548 CO 0.00 0.51 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.25 3h42 s ARG 549 N -0.32 0.39 -0.01 4.92 0.52 -1.26 -0.34 118.95 122.86 3h42 s ARG 549 Ca 0.16 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.99 3h42 s ARG 549 Cb -0.13 -0.32 0.01 0.00 0.52 0.00 0.00 34.95 35.03 3h42 s ARG 549 CO 0.05 0.08 0.17 0.54 0.02 0.00 0.00 175.30 176.16 3h42 s VAL 550 N -0.42 0.07 0.14 3.52 0.11 -0.80 -4.80 120.40 118.22 3h42 s VAL 550 Ca -0.01 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.35 3h42 s VAL 550 Cb -0.04 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3h42 s VAL 550 CO -0.00 -0.33 0.22 -1.38 -3.33 0.00 0.00 175.10 170.27 3h42 s HIS 551 N -1.27 0.41 -0.77 1.54 -3.43 -1.26 0.13 115.29 110.64 3h42 s HIS 551 Ca -0.14 -0.80 -0.26 0.00 -0.80 0.00 0.00 55.06 53.07 3h42 s HIS 551 Cb -0.07 -0.13 0.04 0.00 -1.43 0.00 0.00 32.58 30.99 3h42 s HIS 551 CO 0.02 -0.64 1.26 0.00 -2.00 0.00 0.00 174.74 173.38 3h42 h HIS 553 N 9.90 0.20 -3.79 0.00 3.86 -1.92 -3.45 115.15 119.96 3h42 h HIS 553 Ca -0.20 -0.03 -0.56 0.00 -1.16 0.00 0.00 60.37 58.42 3h42 h HIS 553 Cb 1.05 -0.05 0.13 0.00 1.06 0.00 0.00 27.41 29.59 3h42 h HIS 553 CO 1.13 0.41 0.55 1.04 0.86 0.00 0.00 177.93 181.92 3h42 n GLN 554 N -4.82 1.86 -2.43 2.45 6.02 -1.26 -4.94 117.38 114.26 3h42 n GLN 554 Ca -0.06 0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 57.19 3h42 n GLN 554 Cb 0.19 -2.48 -0.04 0.00 1.02 0.00 0.00 30.24 28.92 3h42 n GLN 554 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h42 s GLN 555 N -2.50 4.56 0.00 -1.09 -1.52 -1.26 -2.92 119.66 114.93 3h42 s GLN 555 Ca 0.65 1.83 0.00 0.00 -1.95 0.00 0.00 55.36 55.89 3h42 s GLN 555 Cb -0.46 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 3h42 s GLN 555 CO 0.54 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 176.05 3h42 n GLY 556 N 1.71 0.90 3.62 3.09 0.00 -1.26 -5.02 105.19 108.24 3h42 n GLY 556 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3h42 n GLY 556 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h42 s HIS 557 N -3.60 3.26 0.01 1.61 3.76 -1.15 -4.26 115.29 114.92 3h42 s HIS 557 Ca 0.00 0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3h42 s HIS 557 Cb 0.00 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 3h42 s HIS 557 CO 0.00 -0.06 0.06 0.08 -0.85 0.00 0.00 174.74 173.97 3h42 s VAL 558 N 1.44 4.53 -0.26 -0.90 1.01 0.36 -4.82 120.40 121.76 3h42 s VAL 558 Ca 0.07 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 3h42 s VAL 558 Cb -0.15 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3h42 s VAL 558 CO 0.08 0.32 0.94 -0.22 0.00 0.00 0.00 175.10 176.22 3h42 s LEU 559 N -1.80 4.06 -0.02 3.92 2.96 -1.26 -1.01 118.68 125.54 3h42 s LEU 559 Ca 0.23 1.10 0.14 0.00 -0.22 0.00 0.00 54.13 55.38 3h42 s LEU 559 Cb -0.12 -3.36 -0.20 0.00 0.50 0.00 0.00 46.19 43.01 3h42 s LEU 559 CO 0.14 -0.65 0.35 0.35 -1.32 0.00 0.00 176.35 175.22 3h42 n THR 560 N 5.44 0.00 -3.57 3.68 -2.24 0.20 -4.90 114.28 112.88 3h42 n THR 560 Ca 0.09 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3h42 n THR 560 Cb 0.47 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3h42 n THR 560 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h42 s GLY 561 N -3.31 -0.26 -0.03 3.38 0.00 -1.14 -3.27 107.32 102.68 3h42 s GLY 561 Ca -0.03 1.90 0.07 0.00 0.00 0.00 0.00 44.72 46.67 3h42 s GLY 561 CO 0.56 0.87 -0.25 0.00 0.00 0.00 0.00 173.10 174.27 3h42 s SER 563 N -0.51 2.58 -0.19 0.00 0.01 0.13 -4.69 113.70 111.03 3h42 s SER 563 Ca 0.07 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.23 3h42 s SER 563 Cb -0.11 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.06 3h42 s SER 563 CO 0.00 -0.16 0.44 -0.55 0.41 0.00 0.00 173.24 173.38 3h42 s SER 564 N -3.26 -0.46 0.05 2.44 0.15 -1.13 0.32 113.70 111.80 3h42 s SER 564 Ca 0.22 0.99 0.05 0.00 0.70 0.00 0.00 55.95 57.91 3h42 s SER 564 Cb -0.01 1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 65.35 3h42 s SER 564 CO 0.07 -0.21 -0.14 -1.38 1.20 0.00 0.00 173.24 172.78 3h42 s HIS 565 N 1.92 1.20 0.30 3.44 -3.43 -1.07 -1.56 115.29 116.08 3h42 s HIS 565 Ca -0.06 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.84 3h42 s HIS 565 Cb -0.10 -0.70 -0.06 0.00 -1.43 0.00 0.00 32.58 30.30 3h42 s HIS 565 CO -0.13 0.04 0.07 1.67 -2.00 0.00 0.00 174.74 174.38 3h42 s TRP 566 N -0.99 1.84 -0.22 0.38 -2.14 -0.78 -1.33 118.94 115.69 3h42 s TRP 566 Ca 0.00 -1.02 -0.06 0.00 2.66 0.00 0.00 56.10 57.68 3h42 s TRP 566 Cb -0.08 -1.16 -0.12 0.00 -3.10 0.00 0.00 33.47 29.00 3h42 s TRP 566 CO 0.02 -0.09 -0.25 -1.91 -2.66 0.00 0.00 176.95 172.06 3h42 n GLU 567 N -0.62 0.51 -0.60 3.25 4.07 -1.26 -4.84 120.64 121.16 3h42 n GLU 567 Ca -0.02 0.17 -0.29 0.00 -0.06 0.00 0.00 57.16 56.97 3h42 n GLU 567 Cb 0.66 -1.36 0.26 0.00 -0.06 0.00 0.00 31.44 30.94 3h42 n GLU 567 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3h42 s VAL 568 N -2.42 1.73 -0.25 6.31 -7.23 -1.26 -5.00 120.40 112.26 3h42 s VAL 568 Ca -0.31 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 3h42 s VAL 568 Cb 0.10 -2.14 -0.14 0.00 0.56 0.00 0.00 36.38 34.76 3h42 s VAL 568 CO 0.44 0.00 -0.27 -0.62 -0.31 0.00 0.00 175.10 174.34 3h42 n GLU 569 N -5.08 0.59 -4.04 4.82 -0.58 -1.26 -4.97 120.64 110.12 3h42 n GLU 569 Ca 0.07 0.19 -0.35 0.00 -0.42 0.00 0.00 57.16 56.64 3h42 n GLU 569 Cb 0.57 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.88 3h42 n GLU 569 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3h42 s ASP 570 N -6.81 5.75 0.00 1.62 -0.00 -1.26 -5.06 116.67 110.91 3h42 s ASP 570 Ca -0.35 0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.39 3h42 s ASP 570 Cb 0.11 -1.90 0.00 0.00 -0.00 0.00 0.00 42.92 41.13 3h42 s ASP 570 CO 0.52 0.27 0.00 0.18 -0.00 0.00 0.00 175.17 176.14 3h42 n LEU 571 N 2.92 0.00 -4.75 1.23 4.32 -1.26 -5.12 117.00 114.34 3h42 n LEU 571 Ca -0.18 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.40 3h42 n LEU 571 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 3h42 n LEU 571 CO 0.33 0.00 1.00 -2.16 -1.22 0.00 0.00 177.39 175.34 3h42 s PRO 585 N 2.16 4.37 -0.78 3.23 0.04 -1.26 -5.11 135.00 137.64 3h42 s PRO 585 Ca 0.00 2.13 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 3h42 s PRO 585 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3h42 s PRO 585 CO 0.00 -0.25 0.68 0.09 0.04 0.00 0.00 177.00 177.56 3h42 n ASN 586 N 2.08 -3.74 -4.05 6.66 3.02 -1.26 -4.94 115.26 113.04 3h42 n ASN 586 Ca 0.04 -0.34 -0.20 0.00 -0.03 0.00 0.00 54.58 54.05 3h42 n ASN 586 Cb 0.42 -3.25 -0.15 0.00 -0.61 0.00 0.00 39.78 36.19 3h42 n ASN 586 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3h42 s GLN 587 N -5.46 0.96 -0.14 3.52 0.74 -1.26 -2.87 119.66 115.15 3h42 s GLN 587 Ca 0.23 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 55.18 3h42 s GLN 587 Cb -0.10 -0.91 -0.04 0.00 1.10 0.00 0.00 33.01 33.05 3h42 s GLN 587 CO 0.44 0.20 0.16 0.00 -0.55 0.00 0.00 175.29 175.54 3h42 s VAL 589 N -0.59 1.68 0.53 0.00 1.01 -1.26 -1.90 120.40 119.87 3h42 s VAL 589 Ca 0.14 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3h42 s VAL 589 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3h42 s VAL 589 CO 0.03 0.48 0.04 -0.83 0.00 0.00 0.00 175.10 174.82 3h42 s GLY 590 N 1.24 3.03 0.75 4.51 0.00 0.54 -4.72 107.32 112.67 3h42 s GLY 590 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 44.72 44.37 3h42 s GLY 590 CO -0.07 -2.19 1.16 1.57 0.00 0.00 0.00 173.10 173.57 3h42 n HIS 591 N -1.36 1.25 0.14 1.90 -0.00 -1.26 -2.10 115.22 113.79 3h42 n HIS 591 Ca -0.19 0.40 0.02 0.00 0.46 0.00 0.00 57.72 58.41 3h42 n HIS 591 Cb 0.67 -2.13 0.38 0.00 -0.12 0.00 0.00 29.99 28.78 3h42 n HIS 591 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 3h42 h ARG 592 N -0.43 0.17 -0.00 1.57 0.11 -1.87 -2.51 114.38 111.41 3h42 h ARG 592 Ca -0.48 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3h42 h ARG 592 Cb 1.32 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3h42 h ARG 592 CO 0.48 0.38 -0.24 0.39 0.10 0.00 0.00 179.97 181.07 3h42 n GLU 593 N -4.22 0.11 -3.98 0.08 1.02 -1.26 -0.20 120.64 112.19 3h42 n GLU 593 Ca -0.01 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.79 3h42 n GLU 593 Cb 0.31 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3h42 n GLU 593 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h42 s ALA 594 N -2.92 3.82 0.39 0.62 0.00 -0.95 -4.57 121.76 118.16 3h42 s ALA 594 Ca 0.15 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 3h42 s ALA 594 Cb 0.18 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.55 3h42 s ALA 594 CO 0.60 0.73 0.99 -1.12 0.00 0.00 0.00 175.76 176.95 3h42 s SER 595 N -2.65 6.96 -0.03 0.00 0.01 -0.44 -3.62 113.70 113.92 3h42 s SER 595 Ca 0.33 1.86 0.07 0.00 1.31 0.00 0.00 55.95 59.52 3h42 s SER 595 Cb -0.12 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 3h42 s SER 595 CO 0.26 -0.35 -0.24 -0.51 0.41 0.00 0.00 173.24 172.81 3h42 s ILE 596 N -1.83 2.22 -0.05 1.44 1.10 -0.39 -2.61 121.20 121.08 3h42 s ILE 596 Ca 0.57 -1.04 0.04 0.00 -0.51 0.00 0.00 60.65 59.72 3h42 s ILE 596 Cb -0.17 -1.79 0.00 0.00 0.15 0.00 0.00 42.46 40.65 3h42 s ILE 596 CO 0.21 0.58 -0.16 -1.00 -2.11 0.00 0.00 174.94 172.46 3h42 s HIS 597 N -0.52 1.70 -0.08 3.50 3.76 0.15 -1.66 115.29 122.14 3h42 s HIS 597 Ca 0.07 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 3h42 s HIS 597 Cb -0.11 -1.17 -0.00 0.00 1.11 0.00 0.00 32.58 32.40 3h42 s HIS 597 CO 0.00 -0.22 -0.23 0.00 -0.85 0.00 0.00 174.74 173.44 3h42 s ALA 598 N 0.25 2.02 -0.26 -1.40 0.00 -0.19 0.17 121.76 122.36 3h42 s ALA 598 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3h42 s ALA 598 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3h42 s ALA 598 CO 0.03 0.32 0.48 0.45 0.00 0.00 0.00 175.76 177.04 3h42 s SER 599 N 0.17 6.39 -0.07 0.00 0.15 0.38 -1.20 113.70 119.52 3h42 s SER 599 Ca -0.12 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3h42 s SER 599 Cb -0.16 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3h42 s SER 599 CO 0.06 -0.26 -0.25 0.00 1.20 0.00 0.00 173.24 174.00 3h42 s HIS 602 N -0.45 3.15 -0.18 0.00 2.46 -0.36 -0.49 115.29 119.42 3h42 s HIS 602 Ca 0.06 -0.24 -0.20 0.00 0.47 0.00 0.00 55.06 55.15 3h42 s HIS 602 Cb -0.07 -2.31 0.05 0.00 -0.13 0.00 0.00 32.58 30.13 3h42 s HIS 602 CO -0.00 -0.30 0.55 0.00 -2.47 0.00 0.00 174.74 172.52 3h42 s ALA 603 N 1.67 -1.37 -0.10 1.58 0.00 -1.26 -0.66 121.76 121.61 3h42 s ALA 603 Ca 0.06 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 3h42 s ALA 603 Cb -0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 3h42 s ALA 603 CO 0.07 -0.27 2.10 -0.35 0.00 0.00 0.00 175.76 177.30 3h42 n PRO 604 N 2.51 2.36 -1.03 0.00 -0.04 -1.26 -1.43 135.00 136.11 3h42 n PRO 604 Ca -0.15 0.77 -0.01 0.00 -0.04 0.00 0.00 63.50 64.08 3h42 n PRO 604 Cb 0.56 -3.08 -0.00 0.00 -0.04 0.00 0.00 33.50 30.93 3h42 n PRO 604 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h42 n GLY 605 N 5.18 0.49 3.66 0.55 0.00 -1.26 -4.79 105.19 109.02 3h42 n GLY 605 Ca 0.25 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3h42 n GLY 605 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h42 s LEU 606 N -0.21 4.22 -0.02 0.99 2.96 -0.52 -1.83 118.68 124.28 3h42 s LEU 606 Ca 0.00 1.80 0.04 0.00 -0.22 0.00 0.00 54.13 55.75 3h42 s LEU 606 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 3h42 s LEU 606 CO 0.00 -0.77 -0.13 -1.83 -1.32 0.00 0.00 176.35 172.31 3h42 s GLU 607 N 3.41 1.10 0.08 1.98 -1.05 -0.78 -4.94 118.70 118.49 3h42 s GLU 607 Ca 0.58 -0.45 0.05 0.00 -0.15 0.00 0.00 54.97 55.00 3h42 s GLU 607 Cb -0.24 -1.04 -0.03 0.00 -0.44 0.00 0.00 34.13 32.38 3h42 s GLU 607 CO 0.18 0.25 -0.13 0.00 0.95 0.00 0.00 175.26 176.50 3h42 s LYS 609 N -2.06 1.05 -0.07 0.00 -2.85 0.54 -4.97 119.74 111.38 3h42 s LYS 609 Ca 0.01 -1.52 -0.04 0.00 -1.00 0.00 0.00 55.97 53.42 3h42 s LYS 609 Cb -0.08 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 3h42 s LYS 609 CO 0.02 -0.29 0.09 0.08 0.10 0.00 0.00 175.35 175.35 3h42 s VAL 610 N -4.03 4.94 0.00 1.79 1.01 -1.26 -0.77 120.40 122.08 3h42 s VAL 610 Ca 0.29 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3h42 s VAL 610 Cb 0.07 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3h42 s VAL 610 CO 0.06 0.53 -0.16 -0.54 0.00 0.00 0.00 175.10 174.98 3h42 s LYS 611 N -1.21 1.26 0.24 2.72 1.02 -0.20 -4.99 119.74 118.59 3h42 s LYS 611 Ca 0.17 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.58 3h42 s LYS 611 Cb -0.12 -1.25 -0.05 0.00 -0.52 0.00 0.00 37.83 35.89 3h42 s LYS 611 CO 0.07 0.33 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.50 3h42 s GLU 612 N -0.62 1.47 -0.27 1.68 2.02 -1.26 -0.63 118.70 121.10 3h42 s GLU 612 Ca 0.06 -1.69 -0.14 0.00 0.02 0.00 0.00 54.97 53.21 3h42 s GLU 612 Cb -0.07 -1.25 0.08 0.00 0.10 0.00 0.00 34.13 33.00 3h42 s GLU 612 CO 0.00 0.16 0.64 -1.58 0.02 0.00 0.00 175.26 174.50 3h42 s HIS 613 N -2.90 -1.03 0.14 1.61 2.46 -0.70 -4.99 115.29 109.88 3h42 s HIS 613 Ca 0.26 2.03 0.11 0.00 0.47 0.00 0.00 55.06 57.93 3h42 s HIS 613 Cb 0.00 0.60 -0.04 0.00 -0.13 0.00 0.00 32.58 33.01 3h42 s HIS 613 CO 0.10 -0.52 -0.25 0.20 -2.47 0.00 0.00 174.74 171.80 3h42 s GLY 614 N 1.78 1.55 -0.04 1.59 0.00 -1.26 -0.04 107.32 110.91 3h42 s GLY 614 Ca -0.09 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.16 3h42 s GLY 614 CO -0.19 -1.48 -0.08 -0.42 0.00 0.00 0.00 173.10 170.93 3h42 s ILE 615 N -1.29 0.79 0.07 0.90 1.01 -0.35 -4.97 121.20 117.36 3h42 s ILE 615 Ca 0.15 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 3h42 s ILE 615 Cb -0.09 -0.74 -0.17 0.00 0.01 0.00 0.00 42.46 41.47 3h42 s ILE 615 CO 0.07 0.27 1.61 -0.65 0.00 0.00 0.00 174.94 176.23 3h42 h PRO 616 N 6.77 -0.29 -3.82 2.79 0.11 -1.93 -1.34 132.00 134.29 3h42 h PRO 616 Ca -0.34 0.02 -0.76 0.00 0.11 0.00 0.00 66.00 65.02 3h42 h PRO 616 Cb 1.17 0.07 -0.28 0.00 0.11 0.00 0.00 31.00 32.06 3h42 h PRO 616 CO 0.48 -0.13 -0.06 0.00 -0.21 0.00 0.00 178.00 178.08 3h42 s ALA 617 N -5.83 3.90 -0.42 -0.75 0.00 -1.26 -2.13 121.76 115.26 3h42 s ALA 617 Ca -0.15 -3.21 -0.27 0.00 0.00 0.00 0.00 51.96 48.33 3h42 s ALA 617 Cb 0.04 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3h42 s ALA 617 CO 0.64 -2.20 2.13 -1.25 0.00 0.00 0.00 175.76 175.08 3h42 s PRO 618 N 0.27 2.69 0.19 0.00 0.04 -1.26 -4.81 135.00 132.12 3h42 s PRO 618 Ca 0.16 1.39 0.24 0.00 0.04 0.00 0.00 61.00 62.82 3h42 s PRO 618 Cb -0.15 -4.42 0.91 0.00 0.04 0.00 0.00 34.50 30.88 3h42 s PRO 618 CO -0.06 -2.62 1.72 0.94 0.04 0.00 0.00 177.00 177.02 3h42 n GLN 619 N 8.88 0.17 0.00 4.56 7.27 -1.26 -4.76 117.38 132.24 3h42 n GLN 619 Ca 0.29 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.66 3h42 n GLN 619 Cb 0.50 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.38 3h42 n GLN 619 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3h42 n GLY 620 N 0.52 0.70 3.56 1.69 0.00 -1.26 -5.09 105.19 105.31 3h42 n GLY 620 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3h42 n GLY 620 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h42 s GLN 621 N 0.00 0.81 -0.11 1.61 -2.07 -1.26 -2.17 119.66 116.46 3h42 s GLN 621 Ca 0.00 0.83 -0.02 0.00 -1.82 0.00 0.00 55.36 54.35 3h42 s GLN 621 Cb 0.00 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 3h42 s GLN 621 CO 0.00 -0.12 -0.02 0.08 -1.32 0.00 0.00 175.29 173.91 3h42 s VAL 622 N 0.15 4.10 0.10 3.63 1.01 -0.31 -4.96 120.40 124.13 3h42 s VAL 622 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3h42 s VAL 622 Cb -0.04 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3h42 s VAL 622 CO 0.02 0.56 -0.10 0.42 0.00 0.00 0.00 175.10 176.00 3h42 s THR 623 N -0.44 0.98 -0.09 3.92 -4.23 -1.26 -0.42 115.64 114.10 3h42 s THR 623 Ca 0.07 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 3h42 s THR 623 Cb -0.12 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.32 3h42 s THR 623 CO 0.02 -0.57 0.32 0.54 -0.54 0.00 0.00 174.62 174.39 3h42 s VAL 624 N -2.54 0.02 0.19 2.29 0.11 -0.83 -4.81 120.40 114.84 3h42 s VAL 624 Ca 0.07 -0.14 0.11 0.00 -2.93 0.00 0.00 61.98 59.09 3h42 s VAL 624 Cb -0.02 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3h42 s VAL 624 CO 0.00 -0.08 -0.24 0.00 -3.33 0.00 0.00 175.10 171.45 3h42 s ALA 625 N -0.27 2.51 0.33 1.54 0.00 -1.26 -0.05 121.76 124.56 3h42 s ALA 625 Ca -0.04 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 3h42 s ALA 625 Cb -0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 3h42 s ALA 625 CO 0.02 0.43 0.97 0.00 0.00 0.00 0.00 175.76 177.18 3h42 s GLU 627 N -2.04 1.63 0.11 0.00 2.02 -1.26 -4.86 118.70 114.31 3h42 s GLU 627 Ca 0.51 1.59 -0.36 0.00 0.02 0.00 0.00 54.97 56.73 3h42 s GLU 627 Cb -0.20 -1.79 -0.16 0.00 0.10 0.00 0.00 34.13 32.07 3h42 s GLU 627 CO 0.26 -2.18 1.38 -1.91 0.02 0.00 0.00 175.26 172.83 3h42 n GLU 628 N -3.52 1.39 0.00 1.61 4.07 -1.26 -1.49 120.64 121.44 3h42 n GLU 628 Ca 0.12 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 3h42 n GLU 628 Cb 0.51 -2.16 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 3h42 n GLU 628 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h42 n GLY 629 N 2.68 2.40 3.76 8.31 0.00 -1.26 -5.06 105.19 116.01 3h42 n GLY 629 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3h42 n GLY 629 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h42 s TRP 630 N -2.66 3.07 -0.13 1.61 0.52 -0.56 -4.81 118.94 115.99 3h42 s TRP 630 Ca 0.00 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.09 3h42 s TRP 630 Cb 0.00 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 3h42 s TRP 630 CO 0.00 0.52 -0.16 0.99 0.02 0.00 0.00 176.95 178.32 3h42 s THR 631 N -1.68 2.71 0.06 2.01 2.01 0.99 -4.77 115.64 116.98 3h42 s THR 631 Ca 0.30 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 3h42 s THR 631 Cb -0.10 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 3h42 s THR 631 CO 0.22 0.53 1.60 -0.22 -0.69 0.00 0.00 174.62 176.05 3h42 s LEU 632 N 0.52 4.36 -0.02 4.42 2.96 -1.26 -0.64 118.68 129.02 3h42 s LEU 632 Ca -0.10 2.42 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 3h42 s LEU 632 Cb -0.16 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3h42 s LEU 632 CO 0.04 -0.85 0.04 0.35 -1.32 0.00 0.00 176.35 174.61 3h42 n THR 633 N 4.68 0.14 -4.08 3.68 -2.24 0.06 -4.87 114.28 111.65 3h42 n THR 633 Ca 0.15 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 3h42 n THR 633 Cb 0.41 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 3h42 n THR 633 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h42 s GLY 634 N -3.02 0.19 -0.02 3.38 0.00 -0.98 -3.92 107.32 102.94 3h42 s GLY 634 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 3h42 s GLY 634 CO 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 173.10 173.14 3h42 s SER 636 N 0.50 -0.52 0.03 0.00 0.15 -0.56 -4.77 113.70 108.52 3h42 s SER 636 Ca -0.04 0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.90 3h42 s SER 636 Cb -0.06 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3h42 s SER 636 CO -0.02 -0.71 -0.08 0.00 1.20 0.00 0.00 173.24 173.64 3h42 s ALA 637 N -2.57 3.00 0.25 5.45 0.00 -1.26 0.31 121.76 126.94 3h42 s ALA 637 Ca -0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 3h42 s ALA 637 Cb -0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 3h42 s ALA 637 CO -0.04 0.62 1.45 -0.51 0.00 0.00 0.00 175.76 177.29 3h42 s LEU 638 N -1.59 4.38 1.14 0.00 1.43 -0.70 -4.93 118.68 118.41 3h42 s LEU 638 Ca 0.18 2.69 -0.14 0.00 -1.03 0.00 0.00 54.13 55.83 3h42 s LEU 638 Cb -0.11 -3.62 0.26 0.00 0.03 0.00 0.00 46.19 42.75 3h42 s LEU 638 CO 0.09 -0.72 1.05 -2.16 0.23 0.00 0.00 176.35 174.84 3h42 s PRO 639 N -0.35 -0.72 0.00 1.29 0.04 -1.26 -4.32 135.00 129.67 3h42 s PRO 639 Ca 0.60 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3h42 s PRO 639 Cb -0.42 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3h42 s PRO 639 CO 0.43 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 174.38 3h42 n GLY 640 N -0.08 0.56 3.91 0.56 0.00 -1.26 -5.03 105.19 103.84 3h42 n GLY 640 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3h42 n GLY 640 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h42 s THR 641 N -2.28 5.40 -0.12 2.61 2.01 -1.26 -5.01 115.64 116.98 3h42 s THR 641 Ca 0.00 -0.19 0.20 0.00 0.31 0.00 0.00 61.69 62.01 3h42 s THR 641 Cb 0.00 -3.57 -0.22 0.00 0.01 0.00 0.00 72.50 68.71 3h42 s THR 641 CO 0.00 0.26 0.55 -1.54 -0.69 0.00 0.00 174.62 173.20 3h42 n SER 642 N 0.72 0.33 -2.96 3.53 3.41 -1.26 -4.58 113.62 112.80 3h42 n SER 642 Ca -0.09 0.14 -0.34 0.00 -0.26 0.00 0.00 58.87 58.32 3h42 n SER 642 Cb 0.52 1.11 0.01 0.00 -0.26 0.00 0.00 64.21 65.59 3h42 n SER 642 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3h42 n HIS 643 N -2.58 3.29 -4.16 7.33 8.25 -1.26 -4.94 115.22 121.15 3h42 n HIS 643 Ca -0.11 -2.96 -0.34 0.00 -0.26 0.00 0.00 57.72 54.04 3h42 n HIS 643 Cb 0.77 -0.73 -0.14 0.00 1.12 0.00 0.00 29.99 31.01 3h42 n HIS 643 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3h42 s VAL 644 N -4.92 3.24 0.04 1.59 1.01 -1.26 -2.73 120.40 117.38 3h42 s VAL 644 Ca 0.47 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3h42 s VAL 644 Cb 0.34 -2.44 -0.22 0.00 0.00 0.00 0.00 36.38 34.06 3h42 s VAL 644 CO -0.23 0.46 1.01 -0.07 0.00 0.00 0.00 175.10 176.27 3h42 h LEU 645 N 7.66 0.00 0.00 3.92 3.38 0.12 -3.46 115.31 126.93 3h42 h LEU 645 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3h42 h LEU 645 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3h42 h LEU 645 CO 0.60 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.73 3h42 n GLY 646 N 1.44 -1.20 3.13 0.83 0.00 -1.18 -1.98 105.19 106.22 3h42 n GLY 646 Ca -0.07 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 3h42 n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h42 s ALA 647 N -1.21 -0.45 0.00 4.61 0.00 -1.00 -0.70 121.76 123.01 3h42 s ALA 647 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 3h42 s ALA 647 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.19 3h42 s ALA 647 CO 0.00 -0.20 0.61 1.52 0.00 0.00 0.00 175.76 177.70 3h42 s TYR 648 N -1.06 -0.56 0.05 0.00 -0.85 -0.37 -3.93 117.35 110.63 3h42 s TYR 648 Ca -0.11 0.82 -0.26 0.00 -0.52 0.00 0.00 57.07 56.99 3h42 s TYR 648 Cb -0.06 0.40 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 3h42 s TYR 648 CO 0.02 -0.64 0.80 0.00 -1.52 0.00 0.00 175.55 174.20 3h42 s ALA 649 N -1.85 3.35 -0.33 9.51 0.00 -1.26 -1.22 121.76 129.95 3h42 s ALA 649 Ca -0.08 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3h42 s ALA 649 Cb -0.01 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.16 3h42 s ALA 649 CO 0.04 0.04 0.04 0.08 0.00 0.00 0.00 175.76 175.96 3h42 s VAL 650 N -0.00 2.56 0.00 0.00 1.01 0.33 -4.85 120.40 119.45 3h42 s VAL 650 Ca 0.40 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.37 3h42 s VAL 650 Cb -0.21 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3h42 s VAL 650 CO 0.24 -0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.23 3h42 n ASP 651 N 4.41 0.00 -1.56 3.32 2.03 -1.26 -1.30 116.55 122.19 3h42 n ASP 651 Ca -0.03 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.36 3h42 n ASP 651 Cb 0.42 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.17 3h42 n ASP 651 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3h42 n ASN 652 N 8.45 4.88 -4.60 1.67 3.02 -1.26 -4.71 115.26 122.71 3h42 n ASN 652 Ca 0.00 -2.62 -0.34 0.00 -0.03 0.00 0.00 54.58 51.59 3h42 n ASN 652 Cb 0.00 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.47 3h42 n ASN 652 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h42 s THR 653 N -2.16 4.09 -0.16 3.41 2.01 -0.42 -1.91 115.64 120.51 3h42 s THR 653 Ca 0.50 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 3h42 s THR 653 Cb 0.35 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3h42 s THR 653 CO 0.20 0.55 0.42 0.00 -0.69 0.00 0.00 174.62 175.10 3h42 s VAL 655 N 0.87 1.98 -0.15 0.00 1.01 -0.36 -1.96 120.40 121.79 3h42 s VAL 655 Ca 0.22 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3h42 s VAL 655 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3h42 s VAL 655 CO 0.08 0.53 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 3h42 s VAL 656 N 1.28 4.08 -0.25 2.92 1.01 0.44 -1.24 120.40 128.65 3h42 s VAL 656 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3h42 s VAL 656 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3h42 s VAL 656 CO -0.12 0.50 0.06 -0.13 0.00 0.00 0.00 175.10 175.42 3h42 s ARG 657 N 0.19 3.64 0.12 2.72 1.81 0.13 -1.16 118.95 126.40 3h42 s ARG 657 Ca -0.01 -0.49 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 3h42 s ARG 657 Cb -0.13 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 3h42 s ARG 657 CO 0.02 -0.19 -0.04 -1.54 -0.68 0.00 0.00 175.30 172.88 3h42 s SER 658 N 1.60 4.73 0.30 0.23 1.04 -0.92 0.16 113.70 120.83 3h42 s SER 658 Ca 0.06 -0.31 0.22 0.00 0.48 0.00 0.00 55.95 56.40 3h42 s SER 658 Cb -0.15 -1.02 0.14 0.00 0.10 0.00 0.00 66.02 65.09 3h42 s SER 658 CO 0.03 0.15 1.28 -0.09 0.98 0.00 0.00 173.24 175.59 3h42 h ARG 659 N 3.28 0.00 -6.65 4.02 2.43 -1.80 -3.42 114.38 112.24 3h42 h ARG 659 Ca -0.48 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.17 3h42 h ARG 659 Cb 1.18 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.76 3h42 h ARG 659 CO 0.57 0.02 0.71 0.00 -1.51 0.00 0.00 179.97 179.76 3h42 s ALA 671 N -3.28 3.59 0.03 2.80 0.00 -0.91 -4.92 121.76 119.08 3h42 s ALA 671 Ca 0.03 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.22 3h42 s ALA 671 Cb 0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3h42 s ALA 671 CO 0.74 -0.62 -0.16 0.08 0.00 0.00 0.00 175.76 175.80 3h42 s VAL 672 N 0.46 1.26 -0.11 0.00 1.01 -0.50 -4.95 120.40 117.57 3h42 s VAL 672 Ca 0.61 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3h42 s VAL 672 Cb -0.38 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3h42 s VAL 672 CO 0.36 0.12 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 3h42 s THR 673 N -0.73 1.80 -0.14 3.92 2.01 -1.26 -1.21 115.64 120.02 3h42 s THR 673 Ca 0.04 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 3h42 s THR 673 Cb -0.08 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3h42 s THR 673 CO 0.01 0.50 0.42 0.00 -0.69 0.00 0.00 174.62 174.86 3h42 s ALA 674 N 0.72 3.52 -0.23 7.40 0.00 0.95 -1.72 121.76 132.40 3h42 s ALA 674 Ca -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 3h42 s ALA 674 Cb -0.16 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.40 3h42 s ALA 674 CO 0.02 -0.04 -0.09 0.08 0.00 0.00 0.00 175.76 175.73 3h42 s VAL 675 N 0.72 2.74 -0.10 0.00 1.01 0.15 -1.71 120.40 123.21 3h42 s VAL 675 Ca 0.22 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3h42 s VAL 675 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3h42 s VAL 675 CO 0.08 0.29 0.03 0.00 0.00 0.00 0.00 175.10 175.50 3h42 s ALA 676 N 1.33 3.40 -0.23 5.51 0.00 0.20 -1.50 121.76 130.47 3h42 s ALA 676 Ca 0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 3h42 s ALA 676 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3h42 s ALA 676 CO -0.06 0.58 0.06 0.42 0.00 0.00 0.00 175.76 176.76 3h42 s ILE 677 N -0.87 4.36 -0.08 0.00 1.01 -0.05 -1.03 121.20 124.54 3h42 s ILE 677 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3h42 s ILE 677 Cb -0.12 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3h42 s ILE 677 CO 0.03 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.17 3h42 s ARG 680 N -3.95 1.78 -0.25 0.00 1.70 -0.53 -0.00 118.95 117.70 3h42 s ARG 680 Ca 0.37 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 3h42 s ARG 680 Cb 0.08 0.60 0.04 0.00 -0.57 0.00 0.00 34.95 35.10 3h42 s ARG 680 CO 0.14 -0.81 -0.08 -1.12 -1.08 0.00 0.00 175.30 172.35 3h42 s SER 681 N -2.93 4.29 0.00 -2.89 0.01 -1.26 -1.87 113.70 109.05 3h42 s SER 681 Ca 0.12 -1.06 0.27 0.00 1.31 0.00 0.00 55.95 56.59 3h42 s SER 681 Cb -0.05 -1.61 1.60 0.00 0.21 0.00 0.00 66.02 66.17 3h42 s SER 681 CO 0.07 -0.15 1.95 0.54 0.41 0.00 0.00 173.24 176.07