#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xaq s SER 172 N 0.00 0.24 0.72 2.55 1.04 -1.26 -4.44 113.70 112.55 2xaq s SER 172 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2xaq s SER 172 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2xaq s SER 172 CO 0.00 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.36 2xaq n GLY 173 N -0.52 1.52 0.13 7.32 0.00 -1.26 -3.62 105.19 108.77 2xaq n GLY 173 Ca -0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2xaq n GLY 173 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2xaq h VAL 174 N 0.00 1.34 0.00 1.61 -1.51 -1.99 -3.36 116.25 112.34 2xaq h VAL 174 Ca 0.00 -2.60 -0.02 0.00 -1.23 0.00 0.00 66.70 62.84 2xaq h VAL 174 Cb 0.00 3.08 -0.00 0.00 -2.13 0.00 0.00 31.29 32.23 2xaq h VAL 174 CO 0.00 0.77 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.67 2xaq h GLU 175 N -0.10 0.00 -0.54 5.19 5.08 -1.94 -1.23 114.58 121.05 2xaq h GLU 175 Ca -0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2xaq h GLU 175 Cb 1.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 2xaq h GLU 175 CO 0.21 0.10 0.29 0.78 -1.00 0.00 0.00 179.01 179.39 2xaq h GLY 176 N 0.34 0.81 2.00 -3.84 0.00 -1.70 -2.80 103.07 97.88 2xaq h GLY 176 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2xaq h GLY 176 CO 0.01 0.36 -0.18 0.00 0.00 0.00 0.00 176.54 176.73 2xaq h ALA 177 N 1.12 1.11 0.11 3.60 0.00 -1.36 0.82 119.26 124.66 2xaq h ALA 177 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2xaq h ALA 177 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2xaq h ALA 177 CO -0.03 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 2xaq h ALA 178 N 1.82 -0.67 -0.87 0.00 0.00 -1.38 -2.50 119.26 115.66 2xaq h ALA 178 Ca -0.00 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2xaq h ALA 178 Cb 0.58 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 2xaq h ALA 178 CO 0.02 -0.66 -0.26 0.35 0.00 0.00 0.00 179.25 178.71 2xaq h PHE 179 N -0.20 -0.61 0.00 0.00 3.57 -1.27 1.09 116.94 119.51 2xaq h PHE 179 Ca -0.01 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2xaq h PHE 179 Cb 0.11 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2xaq h PHE 179 CO 0.12 -0.38 0.00 0.37 -2.23 0.00 0.00 178.31 176.19 2xaq h GLN 180 N -0.02 0.00 -0.01 1.11 5.75 0.58 -0.17 115.11 122.36 2xaq h GLN 180 Ca 0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 2xaq h GLN 180 Cb 0.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.18 2xaq h GLN 180 CO -0.90 0.00 -0.65 0.43 -2.65 0.00 0.00 178.83 175.06 2xaq n SER 181 N -2.64 1.40 -0.23 -0.69 7.64 0.33 -4.35 113.62 115.08 2xaq n SER 181 Ca -0.00 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2xaq n SER 181 Cb 0.16 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 2xaq n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2xaq n ARG 182 N -0.73 0.00 -4.18 1.43 1.74 0.14 -5.05 116.66 110.01 2xaq n ARG 182 Ca 0.06 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 2xaq n ARG 182 Cb 0.36 -1.89 -0.12 0.00 -1.02 0.00 0.00 32.46 29.78 2xaq n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2xaq s LEU 183 N -0.46 2.22 0.10 0.55 1.43 -0.75 -4.97 118.68 116.79 2xaq s LEU 183 Ca 0.00 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.28 2xaq s LEU 183 Cb 0.00 -0.41 -0.07 0.00 0.03 0.00 0.00 46.19 45.75 2xaq s LEU 183 CO 0.00 -0.08 1.29 -2.84 0.23 0.00 0.00 176.35 174.95 2xaq s PRO 184 N -1.41 4.38 0.41 1.29 0.02 -1.26 -2.89 135.00 135.54 2xaq s PRO 184 Ca -0.03 1.93 0.19 0.00 0.02 0.00 0.00 61.00 63.11 2xaq s PRO 184 Cb -0.09 -3.29 0.88 0.00 0.02 0.00 0.00 34.50 32.03 2xaq s PRO 184 CO 0.01 -0.34 1.84 1.12 -0.33 0.00 0.00 177.00 179.31 2xaq h HIS 185 N 6.70 0.00 -1.08 6.54 2.07 -1.92 -3.24 115.15 124.22 2xaq h HIS 185 Ca -0.42 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.55 2xaq h HIS 185 Cb 1.21 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 30.77 2xaq h HIS 185 CO 0.66 0.31 -0.81 -0.40 -3.07 0.00 0.00 177.93 174.62 2xaq n ASP 186 N -3.71 4.58 -3.47 3.10 5.68 -1.26 -4.83 116.55 116.63 2xaq n ASP 186 Ca -0.01 -3.63 -0.11 0.00 -0.50 0.00 0.00 54.79 50.54 2xaq n ASP 186 Cb 0.41 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 2xaq n ASP 186 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2xaq s ARG 187 N -3.57 1.02 -0.20 0.11 3.52 -1.23 -5.13 118.95 113.47 2xaq s ARG 187 Ca 0.48 -0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 55.65 2xaq s ARG 187 Cb 0.40 0.47 -0.05 0.00 -1.56 0.00 0.00 34.95 34.22 2xaq s ARG 187 CO -0.06 -0.43 0.27 -1.64 -0.81 0.00 0.00 175.30 172.62 2xaq s MET 188 N -3.10 4.16 1.17 5.12 -1.94 -1.26 -4.62 119.30 118.84 2xaq s MET 188 Ca 0.02 -0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 53.84 2xaq s MET 188 Cb -0.01 -3.50 0.29 0.00 2.01 0.00 0.00 34.83 33.62 2xaq s MET 188 CO -0.08 0.10 1.03 0.95 -0.01 0.00 0.00 175.02 177.00 2xaq s THR 189 N 0.92 1.98 0.21 2.05 -4.23 -1.26 -4.81 115.64 110.50 2xaq s THR 189 Ca 0.13 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 2xaq s THR 189 Cb -0.13 -2.10 -0.08 0.00 1.34 0.00 0.00 72.50 71.52 2xaq s THR 189 CO 0.05 0.00 1.50 -1.28 -0.54 0.00 0.00 174.62 174.34 2xaq h SER 190 N -2.64 0.00 0.71 3.99 0.87 -1.99 -2.76 113.55 111.72 2xaq h SER 190 Ca -0.62 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2xaq h SER 190 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2xaq h SER 190 CO 0.51 0.74 -0.26 0.00 -0.53 0.00 0.00 176.83 177.29 2xaq n GLN 191 N -3.62 0.05 0.00 2.24 10.64 -1.26 -1.51 117.38 123.91 2xaq n GLN 191 Ca -0.01 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2xaq n GLN 191 Cb 0.73 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 2xaq n GLN 191 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2xaq n GLU 192 N -1.46 0.00 -0.16 2.61 1.02 -1.14 -3.43 120.64 118.08 2xaq n GLU 192 Ca 0.07 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 2xaq n GLU 192 Cb 0.33 -1.07 0.22 0.00 -0.02 0.00 0.00 31.44 30.91 2xaq n GLU 192 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaq n ALA 193 N -1.54 0.39 0.10 0.62 0.00 -1.06 0.24 120.51 119.26 2xaq n ALA 193 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 53.44 54.01 2xaq n ALA 193 Cb 0.00 -0.45 0.31 0.00 0.00 0.00 0.00 19.45 19.32 2xaq n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xaq n ALA 194 N -2.99 0.89 0.00 0.00 0.00 -0.57 -2.97 120.51 114.86 2xaq n ALA 194 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2xaq n ALA 194 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2xaq n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xaq n PHE 196 N -0.53 1.01 -0.33 0.00 3.01 -0.61 -4.64 117.46 115.37 2xaq n PHE 196 Ca 0.00 -3.17 -0.04 0.00 1.01 0.00 0.00 57.45 55.26 2xaq n PHE 196 Cb 0.00 -0.38 0.10 0.00 -0.01 0.00 0.00 39.48 39.19 2xaq n PHE 196 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2xaq h PRO 197 N 2.98 1.25 -0.33 -1.08 0.11 -1.80 -0.53 132.00 132.60 2xaq h PRO 197 Ca -0.01 -0.14 0.07 0.00 0.11 0.00 0.00 66.00 66.03 2xaq h PRO 197 Cb 1.08 -0.25 -0.08 0.00 0.11 0.00 0.00 31.00 31.87 2xaq h PRO 197 CO 0.52 0.91 -0.25 0.38 -0.21 0.00 0.00 178.00 179.35 2xaq h ASP 198 N 1.25 -0.82 0.11 -2.05 2.03 -1.90 0.16 116.42 115.20 2xaq h ASP 198 Ca 0.32 0.16 -0.10 0.00 -0.73 0.00 0.00 57.03 56.67 2xaq h ASP 198 Cb 0.02 0.40 -0.01 0.00 -0.83 0.00 0.00 39.33 38.91 2xaq h ASP 198 CO -0.05 -0.27 -0.35 0.40 -1.03 0.00 0.00 179.24 177.94 2xaq h ILE 199 N -0.21 1.29 0.20 4.15 2.04 -1.55 0.43 117.51 123.85 2xaq h ILE 199 Ca 0.17 -1.41 -0.34 0.00 1.00 0.00 0.00 64.86 64.28 2xaq h ILE 199 Cb 0.47 1.55 0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2xaq h ILE 199 CO -0.46 0.43 -1.58 -0.29 0.00 0.00 0.00 178.15 176.26 2xaq h ILE 200 N 0.30 1.15 0.00 -0.67 2.10 -0.77 -2.78 117.51 116.83 2xaq h ILE 200 Ca 0.03 -2.67 -0.00 0.00 1.08 0.00 0.00 64.86 63.30 2xaq h ILE 200 Cb 0.76 2.90 -0.00 0.00 -1.09 0.00 0.00 36.82 39.38 2xaq h ILE 200 CO 0.06 0.84 -0.00 0.77 -1.08 0.00 0.00 178.15 178.73 2xaq h SER 201 N 0.12 0.00 -1.07 2.19 4.64 -0.71 -3.45 113.55 115.26 2xaq h SER 201 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2xaq h SER 201 Cb 2.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.22 2xaq h SER 201 CO 0.22 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.78 2xaq n GLY 202 N -0.05 -3.56 3.98 -0.77 0.00 0.14 -5.05 105.19 99.88 2xaq n GLY 202 Ca 0.00 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 2xaq n GLY 202 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2xaq s PRO 203 N -2.99 3.28 0.26 1.61 0.02 -1.26 -4.97 135.00 130.95 2xaq s PRO 203 Ca 0.04 -0.85 -0.11 0.00 0.02 0.00 0.00 61.00 60.09 2xaq s PRO 203 Cb -0.01 -2.84 0.38 0.00 0.02 0.00 0.00 34.50 32.05 2xaq s PRO 203 CO 0.04 0.22 1.56 1.96 -0.33 0.00 0.00 177.00 180.45 2xaq h GLN 204 N 1.00 -0.00 -0.16 5.54 1.08 -1.96 0.15 115.11 120.75 2xaq h GLN 204 Ca -0.49 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.75 2xaq h GLN 204 Cb 1.24 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.64 2xaq h GLN 204 CO 0.57 -0.00 -0.07 0.37 -0.95 0.00 0.00 178.83 178.75 2xaq h GLN 205 N -0.00 -0.04 -0.74 1.46 5.75 -1.98 -0.50 115.11 119.06 2xaq h GLN 205 Ca 0.43 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 2xaq h GLN 205 Cb 0.68 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2xaq h GLN 205 CO -1.00 -0.03 0.42 1.79 -2.65 0.00 0.00 178.83 177.36 2xaq h THR 206 N -0.04 1.21 0.51 2.39 1.35 -1.11 -2.80 112.91 114.43 2xaq h THR 206 Ca 0.09 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 2xaq h THR 206 Cb 0.17 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.77 2xaq h THR 206 CO -0.19 0.23 -0.43 1.56 -0.25 0.00 0.00 175.52 176.45 2xaq h GLN 207 N 1.03 -0.89 -0.57 4.72 4.20 -0.48 -2.05 115.11 121.07 2xaq h GLN 207 Ca 0.26 0.06 0.16 0.00 0.06 0.00 0.00 58.65 59.19 2xaq h GLN 207 Cb -0.00 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2xaq h GLN 207 CO -0.05 -0.59 0.41 -0.22 -0.67 0.00 0.00 178.83 177.71 2xaq h LYS 208 N -0.92 0.04 0.35 1.46 3.64 -0.94 0.10 116.57 120.30 2xaq h LYS 208 Ca -0.06 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2xaq h LYS 208 Cb 0.79 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2xaq h LYS 208 CO -0.02 0.03 -0.17 0.28 -2.27 0.00 0.00 179.45 177.30 2xaq h VAL 209 N 0.04 0.57 -0.58 2.00 2.07 -1.23 -2.67 116.25 116.45 2xaq h VAL 209 Ca 0.27 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2xaq h VAL 209 Cb 1.03 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2xaq h VAL 209 CO -0.01 0.10 0.27 0.15 0.02 0.00 0.00 177.57 178.10 2xaq h PHE 210 N -0.87 0.48 0.00 1.57 3.57 -0.20 0.59 116.94 122.07 2xaq h PHE 210 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2xaq h PHE 210 Cb 0.53 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2xaq h PHE 210 CO 0.03 0.19 0.00 1.28 -2.23 0.00 0.00 178.31 177.58 2xaq n LEU 211 N -4.92 0.00 -0.22 0.59 4.77 0.12 -1.85 117.00 115.50 2xaq n LEU 211 Ca 0.07 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.74 2xaq n LEU 211 Cb 0.20 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2xaq n LEU 211 CO 0.26 -0.16 0.38 0.33 -1.33 0.00 0.00 177.39 176.86 2xaq n PHE 212 N -1.32 0.16 0.10 -1.77 -0.00 -0.83 -0.40 117.46 113.41 2xaq n PHE 212 Ca 0.00 0.72 -0.13 0.00 -0.00 0.00 0.00 57.45 58.04 2xaq n PHE 212 Cb 0.00 -0.81 -0.06 0.00 -0.00 0.00 0.00 39.48 38.61 2xaq n PHE 212 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2xaq h ILE 213 N 0.00 0.32 0.15 -2.13 2.04 -0.62 -1.14 117.51 116.12 2xaq h ILE 213 Ca 0.26 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 2xaq h ILE 213 Cb 0.41 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2xaq h ILE 213 CO -0.60 0.00 -0.50 -0.09 0.00 0.00 0.00 178.15 176.96 2xaq h ARG 214 N -0.53 -0.72 -0.62 2.37 1.12 0.04 -0.30 114.38 115.74 2xaq h ARG 214 Ca 0.04 0.05 0.12 0.00 -1.11 0.00 0.00 59.98 59.07 2xaq h ARG 214 Cb 0.57 0.16 -0.12 0.00 -0.01 0.00 0.00 29.97 30.57 2xaq h ARG 214 CO -0.21 -0.48 -0.26 -0.91 -3.11 0.00 0.00 179.97 175.00 2xaq h ASN 215 N -0.75 -0.93 0.31 -3.80 4.21 -1.12 -0.45 115.58 113.05 2xaq h ASN 215 Ca -0.00 0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 2xaq h ASN 215 Cb 0.75 0.51 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 2xaq h ASN 215 CO -0.26 -0.27 -0.15 -0.09 -1.29 0.00 0.00 177.43 175.37 2xaq h ARG 216 N -0.10 -0.40 -1.12 0.81 9.65 -0.98 -0.26 114.38 121.98 2xaq h ARG 216 Ca 0.27 0.03 0.31 0.00 -1.10 0.00 0.00 59.98 59.49 2xaq h ARG 216 Cb 0.53 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 29.11 2xaq h ARG 216 CO -0.68 -0.14 0.73 1.15 2.80 0.00 0.00 179.97 183.83 2xaq h THR 217 N -0.63 0.43 0.40 0.20 2.02 -0.81 0.38 112.91 114.91 2xaq h THR 217 Ca -0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2xaq h THR 217 Cb 0.45 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2xaq h THR 217 CO 0.07 0.05 -0.19 -0.07 0.37 0.00 0.00 175.52 175.75 2xaq h LEU 218 N 0.27 -0.46 -0.67 2.58 3.38 0.51 -1.25 115.31 119.67 2xaq h LEU 218 Ca 0.63 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.79 2xaq h LEU 218 Cb 1.83 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.57 2xaq h LEU 218 CO -0.27 -0.18 -0.04 1.67 0.09 0.00 0.00 178.44 179.71 2xaq n GLN 219 N -4.25 -0.06 0.39 1.13 7.27 -0.27 0.68 117.38 122.28 2xaq n GLN 219 Ca -0.07 1.02 -0.16 0.00 0.07 0.00 0.00 57.00 57.86 2xaq n GLN 219 Cb 0.21 -1.59 -0.08 0.00 2.41 0.00 0.00 30.24 31.19 2xaq n GLN 219 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2xaq h LEU 220 N 0.00 -0.98 -1.50 1.69 3.38 0.29 0.85 115.31 119.04 2xaq h LEU 220 Ca 0.38 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.54 2xaq h LEU 220 Cb 0.74 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2xaq h LEU 220 CO -0.65 -0.64 0.52 -0.25 0.09 0.00 0.00 178.44 177.51 2xaq h TRP 221 N -1.04 0.58 0.00 1.13 2.91 0.23 -2.64 115.95 117.12 2xaq h TRP 221 Ca -0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2xaq h TRP 221 Cb 0.82 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2xaq h TRP 221 CO -0.01 0.23 0.00 1.28 -1.03 0.00 0.00 178.44 178.90 2xaq n LEU 222 N -4.50 0.07 0.00 0.65 4.77 0.21 -3.27 117.00 114.93 2xaq n LEU 222 Ca 0.15 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 2xaq n LEU 222 Cb 0.50 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2xaq n LEU 222 CO 0.32 -0.16 0.32 0.47 -1.33 0.00 0.00 177.39 177.02 2xaq n ASP 223 N -0.97 0.00 -3.15 -1.43 8.00 0.29 -3.00 116.55 116.29 2xaq n ASP 223 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2xaq n ASP 223 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2xaq n ASP 223 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2xaq s ASN 224 N -1.42 -0.64 -0.28 -2.24 2.47 -1.17 -5.06 114.94 106.60 2xaq s ASN 224 Ca 0.00 0.30 0.11 0.00 0.42 0.00 0.00 52.86 53.69 2xaq s ASN 224 Cb 0.00 1.50 0.62 0.00 -1.45 0.00 0.00 41.25 41.92 2xaq s ASN 224 CO 0.00 -0.12 1.61 -0.81 -3.72 0.00 0.00 177.10 174.07 2xaq n PRO 225 N 5.39 2.96 0.00 0.43 -0.05 -1.16 -4.41 135.00 138.15 2xaq n PRO 225 Ca -0.02 -3.04 0.12 0.00 -0.05 0.00 0.00 63.50 60.52 2xaq n PRO 225 Cb 0.54 -2.01 0.24 0.00 -0.05 0.00 0.00 33.50 32.22 2xaq n PRO 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 2xaq n LYS 226 N -0.55 1.57 -4.03 0.54 5.02 -1.26 -4.62 118.16 114.82 2xaq n LYS 226 Ca 0.34 -1.15 -0.18 0.00 -2.02 0.00 0.00 58.31 55.30 2xaq n LYS 226 Cb 1.17 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 34.54 2xaq n LYS 226 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2xaq s ILE 227 N -2.23 0.32 0.13 -0.18 -4.36 -1.26 -0.71 121.20 112.91 2xaq s ILE 227 Ca 0.27 -0.01 -0.34 0.00 -0.26 0.00 0.00 60.65 60.31 2xaq s ILE 227 Cb 0.20 -0.37 -0.17 0.00 1.25 0.00 0.00 42.46 43.36 2xaq s ILE 227 CO 0.42 0.17 0.94 1.67 0.24 0.00 0.00 174.94 178.38 2xaq n GLN 228 N 3.98 0.46 -3.54 0.37 7.27 0.11 -4.86 117.38 121.15 2xaq n GLN 228 Ca -0.25 0.16 -0.41 0.00 0.07 0.00 0.00 57.00 56.57 2xaq n GLN 228 Cb 0.51 -1.51 -0.11 0.00 2.41 0.00 0.00 30.24 31.54 2xaq n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2xaq s LEU 229 N 1.13 4.83 0.58 1.69 2.96 -1.26 -4.84 118.68 123.76 2xaq s LEU 229 Ca 0.76 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2xaq s LEU 229 Cb -1.01 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 43.61 2xaq s LEU 229 CO 0.55 -0.39 0.88 0.42 -1.32 0.00 0.00 176.35 176.48 2xaq s THR 230 N 1.62 3.66 0.20 3.68 -4.23 -1.26 -4.96 115.64 114.35 2xaq s THR 230 Ca 0.04 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2xaq s THR 230 Cb -0.19 -3.44 0.13 0.00 1.34 0.00 0.00 72.50 70.34 2xaq s THR 230 CO 0.08 -0.44 1.85 0.15 -0.54 0.00 0.00 174.62 175.73 2xaq h PHE 231 N -0.12 0.82 0.00 3.99 3.57 -1.98 -2.68 116.94 120.54 2xaq h PHE 231 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2xaq h PHE 231 Cb 1.26 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2xaq h PHE 231 CO 0.47 0.48 0.00 0.39 -2.23 0.00 0.00 178.31 177.42 2xaq n GLU 232 N -4.66 0.00 -0.59 1.11 4.71 -1.26 -2.16 120.64 117.79 2xaq n GLU 232 Ca 0.07 0.47 0.45 0.00 -0.01 0.00 0.00 57.16 58.13 2xaq n GLU 232 Cb 0.06 -1.41 0.69 0.00 -1.01 0.00 0.00 31.44 29.77 2xaq n GLU 232 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2xaq n ALA 233 N -1.83 1.59 -0.03 0.62 0.00 -1.13 0.72 120.51 120.45 2xaq n ALA 233 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 2xaq n ALA 233 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 2xaq n ALA 233 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2xaq h THR 234 N 0.00 0.79 -0.04 0.00 2.02 -1.18 -3.16 112.91 111.34 2xaq h THR 234 Ca 0.79 -1.47 0.03 0.00 0.77 0.00 0.00 66.41 66.52 2xaq h THR 234 Cb 3.17 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 71.01 2xaq h THR 234 CO -0.01 0.25 -0.13 0.25 0.37 0.00 0.00 175.52 176.25 2xaq h LEU 235 N -0.98 -0.40 -0.04 2.58 5.85 0.82 0.33 115.31 123.47 2xaq h LEU 235 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2xaq h LEU 235 Cb 0.47 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2xaq h LEU 235 CO 0.01 -0.19 -0.02 1.67 -0.34 0.00 0.00 178.44 179.57 2xaq n GLN 236 N -5.27 -0.02 0.00 1.25 -0.06 -0.52 -0.34 117.38 112.42 2xaq n GLN 236 Ca -0.05 0.12 0.12 0.00 -2.00 0.00 0.00 57.00 55.20 2xaq n GLN 236 Cb 0.19 -0.18 0.74 0.00 -4.06 0.00 0.00 30.24 26.93 2xaq n GLN 236 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2xaq n GLN 237 N -2.94 0.98 -2.87 3.69 3.00 0.09 -4.86 117.38 114.47 2xaq n GLN 237 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2xaq n GLN 237 Cb 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 28.83 2xaq n GLN 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2xaq s LEU 238 N -1.79 3.80 0.28 1.08 1.43 0.53 -5.11 118.68 118.91 2xaq s LEU 238 Ca 0.37 0.97 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 2xaq s LEU 238 Cb 0.17 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2xaq s LEU 238 CO 0.29 -0.43 0.28 -1.61 0.23 0.00 0.00 176.35 175.11 2xaq s GLU 239 N -4.14 2.96 0.53 1.70 0.41 -1.26 -4.70 118.70 114.20 2xaq s GLU 239 Ca 0.48 -1.08 -0.19 0.00 -0.41 0.00 0.00 54.97 53.77 2xaq s GLU 239 Cb -0.10 -2.61 -0.06 0.00 -1.78 0.00 0.00 34.13 29.57 2xaq s GLU 239 CO 0.36 0.28 1.10 0.00 -0.49 0.00 0.00 175.26 176.51 2xaq s ALA 240 N -2.17 2.74 0.49 5.21 0.00 -1.26 0.29 121.76 127.05 2xaq s ALA 240 Ca 0.37 0.73 0.14 0.00 0.00 0.00 0.00 51.96 53.20 2xaq s ALA 240 Cb -0.08 -3.32 1.16 0.00 0.00 0.00 0.00 23.12 20.88 2xaq s ALA 240 CO 0.27 -0.66 2.10 -1.35 0.00 0.00 0.00 175.76 176.11 2xaq h PRO 241 N 1.22 0.17 -0.13 0.00 0.11 -2.04 -3.45 132.00 127.88 2xaq h PRO 241 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2xaq h PRO 241 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2xaq h PRO 241 CO 0.57 0.11 -0.16 1.88 -0.21 0.00 0.00 178.00 180.19 2xaq h TYR 242 N 0.17 0.41 0.00 0.65 0.05 -0.70 -2.69 116.97 114.87 2xaq h TYR 242 Ca 0.08 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2xaq h TYR 242 Cb 0.12 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2xaq h TYR 242 CO -0.00 0.77 0.00 0.27 -1.05 0.00 0.00 178.16 178.15 2xaq n ASN 243 N -4.55 0.00 0.06 3.88 6.94 0.83 -3.64 115.26 118.78 2xaq n ASN 243 Ca -0.07 0.28 -0.05 0.00 -0.02 0.00 0.00 54.58 54.73 2xaq n ASN 243 Cb 0.38 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2xaq n ASN 243 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2xaq h SER 244 N 0.00 -0.39 -2.71 0.53 4.64 -1.67 -3.40 113.55 110.56 2xaq h SER 244 Ca 0.00 0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.81 2xaq h SER 244 Cb 0.18 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 2xaq h SER 244 CO 0.00 -0.17 1.19 -0.62 -0.87 0.00 0.00 176.83 176.36 2xaq s ASP 245 N -2.89 5.93 0.00 4.97 -1.08 -1.24 -4.85 116.67 117.51 2xaq s ASP 245 Ca -0.05 0.67 0.21 0.00 -0.52 0.00 0.00 52.55 52.86 2xaq s ASP 245 Cb 0.01 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.64 2xaq s ASP 245 CO 0.16 -1.79 1.52 0.35 0.52 0.00 0.00 175.17 175.94 2xaq n THR 246 N 7.12 0.24 0.35 1.71 -2.24 -1.26 -3.62 114.28 116.58 2xaq n THR 246 Ca 0.18 -0.39 0.09 0.00 -2.27 0.00 0.00 64.05 61.65 2xaq n THR 246 Cb 0.49 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 2xaq n THR 246 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2xaq n VAL 247 N 0.46 0.00 0.00 2.28 0.24 -1.26 -2.95 118.33 117.10 2xaq n VAL 247 Ca 0.16 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2xaq n VAL 247 Cb 0.36 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2xaq n VAL 247 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2xaq n LEU 248 N -1.84 0.00 0.00 1.34 7.94 -1.24 -2.81 117.00 120.39 2xaq n LEU 248 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2xaq n LEU 248 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 2xaq n LEU 248 CO 0.38 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 177.18 2xaq n VAL 249 N 0.00 0.00 -0.22 1.96 0.31 -1.25 0.32 118.33 119.45 2xaq n VAL 249 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2xaq n VAL 249 Cb 0.00 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.07 2xaq n VAL 249 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2xaq h HIS 250 N 0.00 0.38 0.26 3.52 -0.00 -1.68 0.94 115.15 118.56 2xaq h HIS 250 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2xaq h HIS 250 Cb 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 2xaq h HIS 250 CO 0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 177.93 177.80 2xaq h ARG 251 N 0.38 -0.39 0.00 5.26 3.08 0.52 0.95 114.38 124.17 2xaq h ARG 251 Ca 0.35 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2xaq h ARG 251 Cb 0.50 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2xaq h ARG 251 CO -0.38 -0.26 0.00 0.28 -1.07 0.00 0.00 179.97 178.54 2xaq n VAL 252 N -3.32 0.00 -0.37 2.04 0.31 -1.10 0.13 118.33 116.01 2xaq n VAL 252 Ca -0.05 1.27 0.31 0.00 -0.01 0.00 0.00 64.34 65.86 2xaq n VAL 252 Cb 0.17 -1.74 0.58 0.00 -0.91 0.00 0.00 33.84 31.94 2xaq n VAL 252 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2xaq h HIS 253 N 0.00 0.73 -0.09 3.52 -0.00 -0.90 -0.15 115.15 118.26 2xaq h HIS 253 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 2xaq h HIS 253 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2xaq h HIS 253 CO -0.64 -0.26 -0.40 0.77 -0.00 0.00 0.00 177.93 177.40 2xaq h SER 254 N 0.14 0.19 0.00 3.26 0.02 0.36 -2.29 113.55 115.24 2xaq h SER 254 Ca 0.80 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.67 2xaq h SER 254 Cb 2.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.67 2xaq h SER 254 CO -0.57 0.58 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2xaq n TYR 255 N -4.04 0.00 0.00 3.45 9.36 0.37 -2.04 117.16 124.26 2xaq n TYR 255 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2xaq n TYR 255 Cb 0.46 -0.20 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 2xaq n TYR 255 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2xaq n LEU 256 N -1.09 0.00 -0.28 2.98 4.77 -1.14 0.21 117.00 122.45 2xaq n LEU 256 Ca 0.00 0.25 0.23 0.00 -0.03 0.00 0.00 56.01 56.46 2xaq n LEU 256 Cb 0.00 -0.03 0.37 0.00 -2.33 0.00 0.00 43.42 41.43 2xaq n LEU 256 CO 0.00 -0.03 0.66 1.21 -1.33 0.00 0.00 177.39 177.91 2xaq n GLU 257 N -0.93 -0.01 0.01 3.23 0.00 -0.86 -0.82 120.64 121.26 2xaq n GLU 257 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 57.16 57.71 2xaq n GLU 257 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 31.44 30.16 2xaq n GLU 257 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2xaq h ARG 258 N 0.00 -0.13 -3.18 5.31 9.65 0.31 -3.35 114.38 122.99 2xaq h ARG 258 Ca 0.45 0.01 -0.71 0.00 -1.10 0.00 0.00 59.98 58.63 2xaq h ARG 258 Cb 1.60 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 30.15 2xaq h ARG 258 CO -0.15 0.09 2.99 0.72 2.80 0.00 0.00 179.97 186.41 2xaq n HIS 259 N -4.85 2.78 -0.27 2.20 8.25 -0.00 -3.83 115.22 119.51 2xaq n HIS 259 Ca -0.04 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.48 2xaq n HIS 259 Cb 0.14 -2.22 0.00 0.00 1.12 0.00 0.00 29.99 29.03 2xaq n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xaq n GLY 260 N 3.02 0.00 0.22 -1.41 0.00 -1.22 -4.59 105.19 101.20 2xaq n GLY 260 Ca 0.62 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.75 2xaq n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xaq h LEU 261 N 0.00 0.00 -7.72 0.99 3.38 -1.84 -3.41 115.31 106.71 2xaq h LEU 261 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2xaq h LEU 261 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 2xaq h LEU 261 CO 0.00 0.03 -0.49 0.27 0.09 0.00 0.00 178.44 178.34 2xaq s ILE 262 N -3.20 0.08 -1.05 1.22 -4.36 -1.26 -4.93 121.20 107.70 2xaq s ILE 262 Ca 0.07 -0.62 -0.00 0.00 -0.26 0.00 0.00 60.65 59.83 2xaq s ILE 262 Cb 0.05 -0.42 -0.00 0.00 1.25 0.00 0.00 42.46 43.34 2xaq s ILE 262 CO 0.67 -0.34 0.87 0.59 0.24 0.00 0.00 174.94 176.98 2xaq n ASN 263 N 1.58 -2.15 -4.49 4.36 4.13 -1.26 -4.09 115.26 113.33 2xaq n ASN 263 Ca -0.22 -0.55 -0.33 0.00 1.68 0.00 0.00 54.58 55.16 2xaq n ASN 263 Cb 0.56 -4.56 -0.13 0.00 -1.54 0.00 0.00 39.78 34.11 2xaq n ASN 263 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2xaq s PHE 264 N -3.32 2.83 0.00 3.10 -0.12 -1.26 -4.95 117.98 114.26 2xaq s PHE 264 Ca 0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 2xaq s PHE 264 Cb -0.00 -1.73 0.00 0.00 -0.63 0.00 0.00 43.02 40.66 2xaq s PHE 264 CO 0.64 0.14 0.00 0.41 -0.05 0.00 0.00 175.22 176.36 2xaq n GLY 265 N 2.62 0.79 3.08 1.99 0.00 -1.26 -4.79 105.19 107.61 2xaq n GLY 265 Ca -0.18 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2xaq n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xaq s ILE 266 N 0.00 2.37 0.37 -0.61 1.01 -1.26 -4.97 121.20 118.10 2xaq s ILE 266 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 60.65 59.02 2xaq s ILE 266 Cb 0.00 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2xaq s ILE 266 CO 0.00 -0.13 0.22 -0.72 0.00 0.00 0.00 174.94 174.31 2xaq s TYR 267 N 1.11 1.77 -0.19 3.97 -0.00 -1.26 -4.75 117.35 117.99 2xaq s TYR 267 Ca -0.05 -1.53 -0.06 0.00 -0.00 0.00 0.00 57.07 55.43 2xaq s TYR 267 Cb -0.20 -0.89 -0.03 0.00 -0.00 0.00 0.00 41.96 40.84 2xaq s TYR 267 CO -0.05 -0.66 0.03 0.15 -0.00 0.00 0.00 175.55 175.03 2xaq s LYS 268 N -3.54 3.81 0.11 -3.49 1.02 0.12 -4.92 119.74 112.84 2xaq s LYS 268 Ca 0.33 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 2xaq s LYS 268 Cb 0.02 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 2xaq s LYS 268 CO 0.22 0.17 1.12 0.50 -0.92 0.00 0.00 175.35 176.44 2xaq s ARG 269 N 0.63 4.53 -0.01 1.68 3.52 -1.26 -0.72 118.95 127.32 2xaq s ARG 269 Ca 0.01 1.70 -0.25 0.00 -0.13 0.00 0.00 55.73 57.07 2xaq s ARG 269 Cb -0.14 -3.33 -0.18 0.00 -1.56 0.00 0.00 34.95 29.75 2xaq s ARG 269 CO 0.02 -0.07 1.24 0.82 -0.81 0.00 0.00 175.30 176.50 2xaq h ILE 270 N 4.16 1.03 -3.57 4.11 2.04 -1.98 -3.42 117.51 119.89 2xaq h ILE 270 Ca -0.43 -0.84 -0.77 0.00 1.00 0.00 0.00 64.86 63.82 2xaq h ILE 270 Cb 1.21 1.54 -0.26 0.00 -0.74 0.00 0.00 36.82 38.57 2xaq h ILE 270 CO 0.76 0.19 -0.05 -0.54 0.00 0.00 0.00 178.15 178.52 2xaq s LYS 271 N -4.46 3.31 0.86 2.37 1.02 -1.26 -5.06 119.74 116.51 2xaq s LYS 271 Ca -0.15 -2.21 -0.22 0.00 0.02 0.00 0.00 55.97 53.41 2xaq s LYS 271 Cb 0.02 -4.32 -0.16 0.00 -0.52 0.00 0.00 37.83 32.84 2xaq s LYS 271 CO 0.60 -1.29 -1.24 -2.30 -0.92 0.00 0.00 175.35 170.20 2xaq n PRO 272 N 4.36 0.00 -2.47 -1.68 -0.02 -1.26 -4.70 135.00 129.23 2xaq n PRO 272 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2xaq n PRO 272 Cb 0.44 -0.86 -0.02 0.00 -0.02 0.00 0.00 33.50 33.04 2xaq n PRO 272 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xaq s LEU 273 N 6.87 3.95 0.00 2.45 1.43 -1.26 -4.85 118.68 127.27 2xaq s LEU 273 Ca 0.31 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 2xaq s LEU 273 Cb 0.05 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2xaq s LEU 273 CO 0.59 -0.97 0.00 -2.65 0.23 0.00 0.00 176.35 173.55 2xaq n PRO 274 N 7.07 0.00 0.00 1.29 -0.02 -1.26 -4.75 135.00 137.33 2xaq n PRO 274 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2xaq n PRO 274 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 2xaq n PRO 274 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2xaq n THR 275 N 0.00 0.00 -4.36 3.45 5.66 -1.26 -4.30 114.28 113.47 2xaq n THR 275 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 2xaq n THR 275 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2xaq n THR 275 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2xaq s LYS 276 N 0.00 1.60 0.03 1.09 2.20 -1.26 -5.14 119.74 118.26 2xaq s LYS 276 Ca 0.00 -1.32 0.06 0.00 -0.36 0.00 0.00 55.97 54.34 2xaq s LYS 276 Cb 0.00 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.31 2xaq s LYS 276 CO 0.00 0.45 -0.13 0.15 -0.36 0.00 0.00 175.35 175.46 2xaq s LYS 277 N -2.26 2.27 -0.36 4.03 1.02 -1.26 -5.04 119.74 118.13 2xaq s LYS 277 Ca 0.17 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 2xaq s LYS 277 Cb -0.10 -2.32 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2xaq s LYS 277 CO 0.09 0.56 0.14 0.99 -0.92 0.00 0.00 175.35 176.21 2xaq s THR 278 N -0.97 3.91 0.00 2.17 2.01 -1.19 -4.88 115.64 116.69 2xaq s THR 278 Ca 0.16 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.98 2xaq s THR 278 Cb -0.11 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2xaq s THR 278 CO 0.07 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 2xaq n GLY 279 N 4.84 -2.78 3.81 4.40 0.00 -1.26 -4.44 105.19 109.75 2xaq n GLY 279 Ca -0.12 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 2xaq n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xaq s LYS 280 N -4.07 4.14 -0.04 1.61 2.47 -1.26 -2.72 119.74 119.88 2xaq s LYS 280 Ca 0.00 0.62 0.03 0.00 -1.56 0.00 0.00 55.97 55.06 2xaq s LYS 280 Cb 0.00 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 2xaq s LYS 280 CO 0.00 0.59 -0.11 0.08 0.16 0.00 0.00 175.35 176.07 2xaq s VAL 281 N -0.89 0.96 -0.23 4.02 1.01 -0.06 -0.88 120.40 124.33 2xaq s VAL 281 Ca 0.27 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 2xaq s VAL 281 Cb -0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2xaq s VAL 281 CO 0.17 0.30 0.26 -0.63 0.00 0.00 0.00 175.10 175.19 2xaq s ILE 282 N 0.25 5.28 -0.18 2.22 -1.09 -0.95 -2.19 121.20 124.55 2xaq s ILE 282 Ca -0.05 0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 58.67 2xaq s ILE 282 Cb -0.10 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2xaq s ILE 282 CO 0.01 0.29 0.14 -0.63 -1.23 0.00 0.00 174.94 173.51 2xaq s ILE 283 N 1.30 5.43 -0.56 2.92 1.01 -0.03 -1.03 121.20 130.24 2xaq s ILE 283 Ca 0.12 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 2xaq s ILE 283 Cb -0.14 -3.45 0.13 0.00 0.01 0.00 0.00 42.46 39.00 2xaq s ILE 283 CO 0.07 0.49 0.53 -0.63 0.00 0.00 0.00 174.94 175.40 2xaq s ILE 284 N 0.00 5.19 0.00 2.92 1.01 -0.08 -0.30 121.20 129.94 2xaq s ILE 284 Ca 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.25 2xaq s ILE 284 Cb -0.11 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2xaq s ILE 284 CO -0.00 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.64 2xaq n GLY 285 N 5.19 1.93 2.15 6.18 0.00 0.46 -1.76 105.19 119.35 2xaq n GLY 285 Ca -0.12 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 2xaq n GLY 285 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xaq n SER 286 N 0.00 4.84 -4.82 1.61 3.41 -1.26 -4.01 113.62 113.40 2xaq n SER 286 Ca 0.00 -3.69 -0.29 0.00 -0.26 0.00 0.00 58.87 54.63 2xaq n SER 286 Cb 0.00 -0.85 0.10 0.00 -0.26 0.00 0.00 64.21 63.20 2xaq n SER 286 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2xaq s GLY 287 N -1.66 1.60 0.00 5.00 0.00 -1.26 -2.64 107.32 108.37 2xaq s GLY 287 Ca 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2xaq s GLY 287 CO 0.06 0.10 0.03 -0.62 0.00 0.00 0.00 173.10 172.68 2xaq n VAL 288 N -3.48 0.00 0.00 1.40 0.31 -1.26 -0.33 118.33 114.97 2xaq n VAL 288 Ca 0.07 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2xaq n VAL 288 Cb 0.58 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2xaq n VAL 288 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2xaq n SER 289 N -0.09 0.00 -0.31 4.52 3.41 -1.15 0.16 113.62 120.16 2xaq n SER 289 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 2xaq n SER 289 Cb 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 2xaq n SER 289 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xaq n GLY 290 N -0.49 -1.17 0.01 5.00 0.00 0.55 -0.93 105.19 108.16 2xaq n GLY 290 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 2xaq n GLY 290 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xaq h LEU 291 N 0.00 0.00 0.00 0.99 3.38 0.24 -2.68 115.31 117.24 2xaq h LEU 291 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2xaq h LEU 291 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2xaq h LEU 291 CO -0.84 0.13 0.71 0.00 0.09 0.00 0.00 178.44 178.53 2xaq n ALA 292 N -2.42 0.00 -0.07 1.53 0.00 -0.43 0.12 120.51 119.24 2xaq n ALA 292 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2xaq n ALA 292 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2xaq n ALA 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xaq h ALA 293 N 0.00 0.03 -1.12 0.00 0.00 -1.07 -3.33 119.26 113.76 2xaq h ALA 293 Ca 0.00 -0.43 0.32 0.00 0.00 0.00 0.00 54.91 54.80 2xaq h ALA 293 Cb 1.41 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 2xaq h ALA 293 CO 0.00 0.34 0.78 0.00 0.00 0.00 0.00 179.25 180.37 2xaq h ALA 294 N -0.88 2.80 -3.00 0.00 0.00 0.13 -0.32 119.26 117.99 2xaq h ALA 294 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2xaq h ALA 294 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2xaq h ALA 294 CO -0.02 -1.17 0.00 0.54 0.00 0.00 0.00 179.25 178.60 2xaq n ARG 295 N -4.35 0.00 -0.10 0.00 1.74 -0.23 -1.33 116.66 112.39 2xaq n ARG 295 Ca 0.25 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 2xaq n ARG 295 Cb 1.11 -0.91 0.01 0.00 -1.02 0.00 0.00 32.46 31.65 2xaq n ARG 295 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2xaq n GLN 296 N -0.46 -0.07 -0.16 5.56 1.13 -0.82 0.36 117.38 122.93 2xaq n GLN 296 Ca 0.00 0.40 -0.08 0.00 -1.94 0.00 0.00 57.00 55.38 2xaq n GLN 296 Cb 0.00 -0.59 0.01 0.00 0.11 0.00 0.00 30.24 29.78 2xaq n GLN 296 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2xaq h LEU 297 N 0.00 0.57 0.00 1.08 3.38 -1.04 0.40 115.31 119.70 2xaq h LEU 297 Ca 0.08 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2xaq h LEU 297 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2xaq h LEU 297 CO -0.25 0.46 -1.03 -0.61 0.09 0.00 0.00 178.44 177.10 2xaq h GLN 298 N 0.64 0.00 -0.85 1.13 -0.00 0.11 -1.65 115.11 114.48 2xaq h GLN 298 Ca 0.17 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 59.03 2xaq h GLN 298 Cb -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.42 2xaq h GLN 298 CO -0.03 0.37 0.58 1.03 0.00 0.00 0.00 178.83 180.78 2xaq h SER 299 N 0.00 0.26 -0.40 -0.69 0.87 0.16 0.20 113.55 113.95 2xaq h SER 299 Ca -0.09 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 2xaq h SER 299 Cb 1.49 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 2xaq h SER 299 CO 0.05 0.11 0.09 0.49 -0.53 0.00 0.00 176.83 177.04 2xaq n PHE 300 N -4.43 1.38 -3.31 2.24 3.72 0.14 -4.92 117.46 112.27 2xaq n PHE 300 Ca 0.18 -0.63 -0.29 0.00 -0.05 0.00 0.00 57.45 56.65 2xaq n PHE 300 Cb 0.75 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 38.89 2xaq n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xaq n GLY 301 N 0.18 -0.30 3.50 1.37 0.00 0.71 -4.90 105.19 105.74 2xaq n GLY 301 Ca 0.21 0.82 -0.25 0.00 0.00 0.00 0.00 46.02 46.80 2xaq n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2xaq s MET 302 N -2.98 1.73 -0.51 1.61 -1.94 -0.68 -3.18 119.30 113.36 2xaq s MET 302 Ca 0.21 -1.82 -0.28 0.00 -1.71 0.00 0.00 55.69 52.09 2xaq s MET 302 Cb -0.02 -1.75 0.03 0.00 2.01 0.00 0.00 34.83 35.10 2xaq s MET 302 CO 0.75 0.27 1.10 0.34 -0.01 0.00 0.00 175.02 177.47 2xaq s ASP 303 N -3.54 6.54 -0.09 3.03 -1.08 -1.10 -4.41 116.67 116.01 2xaq s ASP 303 Ca 0.31 0.25 0.03 0.00 -0.52 0.00 0.00 52.55 52.62 2xaq s ASP 303 Cb -0.03 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2xaq s ASP 303 CO 0.16 -1.28 -0.20 -0.69 0.52 0.00 0.00 175.17 173.68 2xaq s VAL 304 N 4.43 2.47 -0.05 1.11 1.01 -1.26 -0.89 120.40 127.23 2xaq s VAL 304 Ca 0.43 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2xaq s VAL 304 Cb -0.08 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2xaq s VAL 304 CO 0.28 0.56 0.01 -0.89 0.00 0.00 0.00 175.10 175.06 2xaq s THR 305 N 0.09 0.20 0.08 3.92 2.01 -0.93 -4.34 115.64 116.67 2xaq s THR 305 Ca -0.09 0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.89 2xaq s THR 305 Cb -0.15 -0.36 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 2xaq s THR 305 CO 0.06 0.20 0.60 -0.76 -0.69 0.00 0.00 174.62 174.03 2xaq s LEU 306 N 1.67 4.53 -0.13 4.42 1.02 -0.78 -0.85 118.68 128.57 2xaq s LEU 306 Ca -0.00 1.32 -0.02 0.00 0.02 0.00 0.00 54.13 55.44 2xaq s LEU 306 Cb -0.13 -2.95 -0.03 0.00 0.02 0.00 0.00 46.19 43.10 2xaq s LEU 306 CO -0.03 0.26 -0.06 -0.76 0.02 0.00 0.00 176.35 175.77 2xaq s LEU 307 N -1.08 3.14 -0.20 1.79 1.43 0.58 -1.43 118.68 122.91 2xaq s LEU 307 Ca 0.30 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 2xaq s LEU 307 Cb -0.20 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.37 2xaq s LEU 307 CO 0.20 0.22 0.45 -0.70 0.23 0.00 0.00 176.35 176.75 2xaq s GLU 308 N 0.06 0.39 -0.02 1.70 2.56 -0.84 0.17 118.70 122.73 2xaq s GLU 308 Ca -0.01 1.00 -0.10 0.00 0.00 0.00 0.00 54.97 55.85 2xaq s GLU 308 Cb -0.14 0.24 -0.31 0.00 2.00 0.00 0.00 34.13 35.92 2xaq s GLU 308 CO 0.03 -0.21 0.80 0.00 -0.56 0.00 0.00 175.26 175.32 2xaq h ALA 309 N 7.71 0.10 -2.20 6.30 0.00 -1.71 0.57 119.26 130.03 2xaq h ALA 309 Ca -0.24 -1.06 -0.50 0.00 0.00 0.00 0.00 54.91 53.11 2xaq h ALA 309 Cb 1.14 0.34 0.21 0.00 0.00 0.00 0.00 17.79 19.48 2xaq h ALA 309 CO 0.18 0.97 0.02 0.54 0.00 0.00 0.00 179.25 180.96 2xaq n ARG 310 N -3.59 -0.93 -0.34 0.00 1.74 -1.26 -3.05 116.66 109.23 2xaq n ARG 310 Ca -0.21 -0.22 0.03 0.00 -0.77 0.00 0.00 57.85 56.68 2xaq n ARG 310 Cb 1.08 -2.25 0.16 0.00 -1.02 0.00 0.00 32.46 30.43 2xaq n ARG 310 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2xaq n ASP 311 N -3.97 2.76 -3.70 0.55 5.68 -1.26 0.83 116.55 117.44 2xaq n ASP 311 Ca 0.09 -2.34 -0.10 0.00 -0.50 0.00 0.00 54.79 51.94 2xaq n ASP 311 Cb 0.53 -0.55 -0.05 0.00 -1.14 0.00 0.00 41.12 39.91 2xaq n ASP 311 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2xaq s ARG 312 N -1.68 1.04 0.00 0.11 1.70 -1.26 -4.95 118.95 113.91 2xaq s ARG 312 Ca 0.21 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 2xaq s ARG 312 Cb 0.16 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 2xaq s ARG 312 CO 0.07 -0.39 0.00 1.33 -1.08 0.00 0.00 175.30 175.22 2xaq n VAL 313 N -0.19 0.00 0.00 4.99 0.24 -1.26 -4.59 118.33 117.51 2xaq n VAL 313 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2xaq n VAL 313 Cb 0.63 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2xaq n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2xaq n GLY 314 N 5.00 2.27 7.00 7.63 0.00 -1.08 -4.91 105.19 121.10 2xaq n GLY 314 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2xaq n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xaq n GLY 315 N 0.00 2.49 0.58 -0.02 0.00 -1.26 -1.37 105.19 105.62 2xaq n GLY 315 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2xaq n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xaq n ARG 316 N 12.08 0.83 -3.83 1.61 1.74 -1.26 -3.37 116.66 124.46 2xaq n ARG 316 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2xaq n ARG 316 Cb 0.00 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 29.96 2xaq n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2xaq s VAL 317 N -0.81 3.16 0.01 1.55 1.01 -0.47 -2.95 120.40 121.90 2xaq s VAL 317 Ca 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 61.98 59.15 2xaq s VAL 317 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2xaq s VAL 317 CO 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 175.10 174.32 2xaq s ALA 318 N 0.19 3.34 0.00 5.51 0.00 -1.22 -4.51 121.76 125.07 2xaq s ALA 318 Ca 0.15 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2xaq s ALA 318 Cb -0.22 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2xaq s ALA 318 CO -0.03 0.66 -0.02 0.99 0.00 0.00 0.00 175.76 177.35 2xaq s THR 319 N -1.12 0.17 -0.14 0.00 2.01 -1.26 -2.79 115.64 112.50 2xaq s THR 319 Ca 0.21 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 2xaq s THR 319 Cb -0.12 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2xaq s THR 319 CO 0.11 -0.06 -0.02 0.12 -0.69 0.00 0.00 174.62 174.08 2xaq s PHE 320 N -0.32 3.06 -0.18 4.92 5.36 0.38 -4.89 117.98 126.32 2xaq s PHE 320 Ca -0.02 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.73 2xaq s PHE 320 Cb -0.03 -1.94 0.06 0.00 -0.34 0.00 0.00 43.02 40.78 2xaq s PHE 320 CO -0.00 0.07 0.07 1.03 -1.46 0.00 0.00 175.22 174.94 2xaq s ARG 321 N 0.14 0.23 -0.06 10.12 0.52 -1.26 -0.55 118.95 128.09 2xaq s ARG 321 Ca -0.00 -0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.00 2xaq s ARG 321 Cb -0.13 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.47 2xaq s ARG 321 CO 0.02 -0.66 0.14 0.21 0.02 0.00 0.00 175.30 175.04 2xaq s LYS 322 N 2.06 0.09 6.93 3.54 2.20 -0.60 -5.03 119.74 128.92 2xaq s LYS 322 Ca 0.01 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2xaq s LYS 322 Cb -0.16 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 2xaq s LYS 322 CO -0.09 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2xaq n GLY 323 N 4.21 3.48 0.98 5.54 0.00 -1.26 -0.51 105.19 117.64 2xaq n GLY 323 Ca -0.27 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.76 2xaq n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xaq n ASN 324 N 4.49 3.37 -4.70 1.61 3.02 -1.26 -4.88 115.26 116.91 2xaq n ASN 324 Ca 0.00 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 2xaq n ASN 324 Cb 0.00 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 2xaq n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2xaq s TYR 325 N -1.05 3.43 -0.27 3.10 2.02 0.33 -4.63 117.35 120.29 2xaq s TYR 325 Ca 0.35 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 2xaq s TYR 325 Cb 0.19 -3.33 0.16 0.00 -0.40 0.00 0.00 41.96 38.57 2xaq s TYR 325 CO 0.25 -0.92 0.46 0.08 -1.57 0.00 0.00 175.55 173.84 2xaq s VAL 326 N 1.40 -0.74 0.04 0.71 1.01 -1.25 -1.56 120.40 120.02 2xaq s VAL 326 Ca 0.56 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 2xaq s VAL 326 Cb -0.26 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2xaq s VAL 326 CO 0.26 -0.14 0.30 0.00 0.00 0.00 0.00 175.10 175.53 2xaq s ALA 327 N 2.64 -0.69 -0.36 5.51 0.00 0.29 -4.89 121.76 124.26 2xaq s ALA 327 Ca 0.13 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 2xaq s ALA 327 Cb -0.14 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.29 2xaq s ALA 327 CO -0.23 -0.40 0.79 -0.51 0.00 0.00 0.00 175.76 175.41 2xaq s ASP 328 N -2.01 6.56 0.08 0.00 1.01 -1.26 0.14 116.67 121.19 2xaq s ASP 328 Ca -0.06 0.37 -0.29 0.00 0.71 0.00 0.00 52.55 53.28 2xaq s ASP 328 Cb -0.01 -2.40 -0.17 0.00 1.01 0.00 0.00 42.92 41.34 2xaq s ASP 328 CO -0.03 -0.74 1.66 -0.07 0.21 0.00 0.00 175.17 176.21 2xaq h LEU 329 N 9.75 -0.48 0.00 1.23 3.38 -1.88 -3.45 115.31 123.86 2xaq h LEU 329 Ca -0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2xaq h LEU 329 Cb 1.09 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2xaq h LEU 329 CO 0.91 -0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2xaq n GLY 330 N -1.32 -0.53 3.82 0.83 0.00 -1.12 -4.74 105.19 102.13 2xaq n GLY 330 Ca -0.11 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2xaq n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaq s ALA 331 N -3.29 1.88 0.00 4.61 0.00 -1.15 -4.91 121.76 118.89 2xaq s ALA 331 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2xaq s ALA 331 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2xaq s ALA 331 CO 0.00 -2.44 0.00 -0.12 0.00 0.00 0.00 175.76 173.20 2xaq n MET 332 N -3.85 0.00 -3.47 0.00 1.56 -1.26 -4.80 117.12 105.30 2xaq n MET 332 Ca 0.10 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.26 2xaq n MET 332 Cb 0.60 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.94 2xaq n MET 332 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2xaq s VAL 333 N -1.13 5.09 -0.19 1.12 1.01 -1.26 -3.80 120.40 121.25 2xaq s VAL 333 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2xaq s VAL 333 Cb 0.00 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2xaq s VAL 333 CO 0.00 -0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.03 2xaq s VAL 334 N -2.01 1.59 -0.44 2.92 1.01 -0.44 -4.90 120.40 118.12 2xaq s VAL 334 Ca 0.42 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2xaq s VAL 334 Cb -0.11 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2xaq s VAL 334 CO 0.30 0.20 2.96 0.35 0.00 0.00 0.00 175.10 178.91 2xaq n THR 335 N 4.71 3.42 0.00 3.92 -2.24 -1.26 -1.47 114.28 121.37 2xaq n THR 335 Ca -0.15 -2.72 0.00 0.00 -2.27 0.00 0.00 64.05 58.91 2xaq n THR 335 Cb 0.47 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 2xaq n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xaq n GLY 336 N 1.42 1.64 0.01 3.38 0.00 -1.23 -4.39 105.19 106.03 2xaq n GLY 336 Ca 0.49 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 2xaq n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xaq n LEU 337 N -0.01 0.16 -4.57 0.99 4.77 -0.71 -4.77 117.00 112.85 2xaq n LEU 337 Ca 0.00 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2xaq n LEU 337 Cb 0.00 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2xaq n LEU 337 CO 0.00 0.07 1.11 -0.83 -1.33 0.00 0.00 177.39 176.41 2xaq s GLY 338 N -3.28 -1.10 0.00 -0.72 0.00 -1.03 0.15 107.32 101.34 2xaq s GLY 338 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2xaq s GLY 338 CO 0.07 4.30 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2xaq n GLY 339 N 6.32 0.54 3.50 0.20 0.00 -1.26 -2.43 105.19 112.07 2xaq n GLY 339 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 2xaq n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xaq s ASN 340 N -0.46 6.16 0.43 1.61 3.84 0.39 -4.74 114.94 122.17 2xaq s ASN 340 Ca 0.00 -0.55 0.35 0.00 0.21 0.00 0.00 52.86 52.87 2xaq s ASN 340 Cb 0.00 -2.19 1.40 0.00 -0.55 0.00 0.00 41.25 39.91 2xaq s ASN 340 CO 0.00 -0.44 1.37 -0.81 -2.79 0.00 0.00 177.10 174.43 2xaq n PRO 341 N 5.38 -0.02 0.11 0.43 -0.04 -1.26 0.40 135.00 140.00 2xaq n PRO 341 Ca -0.09 1.03 -0.04 0.00 -0.04 0.00 0.00 63.50 64.36 2xaq n PRO 341 Cb 0.48 -2.18 0.12 0.00 -0.04 0.00 0.00 33.50 31.88 2xaq n PRO 341 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2xaq h MET 342 N 0.00 0.12 -0.48 0.54 2.86 -1.92 -2.43 114.93 113.62 2xaq h MET 342 Ca 0.79 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 58.43 2xaq h MET 342 Cb 2.84 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 34.42 2xaq h MET 342 CO -0.24 0.73 -0.40 0.00 1.06 0.00 0.00 176.91 178.06 2xaq h ALA 343 N 1.24 -0.30 -0.59 6.32 0.00 -0.32 0.15 119.26 125.77 2xaq h ALA 343 Ca -0.01 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2xaq h ALA 343 Cb 1.17 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 2xaq h ALA 343 CO 0.09 -0.80 0.23 0.28 0.00 0.00 0.00 179.25 179.05 2xaq h VAL 344 N -0.26 0.81 0.00 0.00 2.07 -1.47 -2.11 116.25 115.28 2xaq h VAL 344 Ca 0.17 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2xaq h VAL 344 Cb 0.57 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2xaq h VAL 344 CO -0.62 0.08 0.00 0.58 0.02 0.00 0.00 177.57 177.63 2xaq h VAL 345 N 0.42 0.00 -0.15 2.57 2.07 -0.74 -2.55 116.25 117.87 2xaq h VAL 345 Ca 0.29 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2xaq h VAL 345 Cb 0.33 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2xaq h VAL 345 CO -0.28 0.00 -0.23 0.77 0.02 0.00 0.00 177.57 177.85 2xaq h SER 346 N 0.00 0.47 -0.37 0.57 4.64 -0.04 -1.68 113.55 117.14 2xaq h SER 346 Ca 0.00 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 2xaq h SER 346 Cb 0.58 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2xaq h SER 346 CO 0.00 0.90 0.18 0.11 -0.87 0.00 0.00 176.83 177.15 2xaq h LYS 347 N 0.04 0.58 0.00 4.77 1.57 -1.41 -2.66 116.57 119.47 2xaq h LYS 347 Ca 0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 2xaq h LYS 347 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2xaq h LYS 347 CO 0.05 0.48 -0.64 1.96 -0.57 0.00 0.00 179.45 180.73 2xaq h GLN 348 N 0.59 0.00 -4.51 3.15 4.20 -1.23 -3.45 115.11 113.86 2xaq h GLN 348 Ca 0.15 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.55 2xaq h GLN 348 Cb 0.10 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.64 2xaq h GLN 348 CO -0.02 0.64 -0.75 0.08 -0.67 0.00 0.00 178.83 178.11 2xaq s VAL 349 N -3.56 0.52 -1.17 -0.54 1.01 -0.65 -4.97 120.40 111.04 2xaq s VAL 349 Ca -0.01 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2xaq s VAL 349 Cb 0.12 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 36.08 2xaq s VAL 349 CO 0.77 -0.15 1.53 0.21 0.00 0.00 0.00 175.10 177.46 2xaq s ASN 350 N -0.94 6.79 -0.04 3.32 2.47 -1.26 -4.55 114.94 120.73 2xaq s ASN 350 Ca -0.04 -2.30 -0.01 0.00 0.42 0.00 0.00 52.86 50.93 2xaq s ASN 350 Cb -0.06 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 2xaq s ASN 350 CO 0.00 -1.14 0.04 -0.04 -3.72 0.00 0.00 177.10 172.24 2xaq s MET 351 N 3.62 3.00 -0.39 0.43 -1.94 -1.26 -4.98 119.30 117.78 2xaq s MET 351 Ca 0.47 -0.46 -0.10 0.00 -1.71 0.00 0.00 55.69 53.89 2xaq s MET 351 Cb 0.01 -2.82 0.05 0.00 2.01 0.00 0.00 34.83 34.07 2xaq s MET 351 CO -0.00 0.67 0.21 -2.00 -0.01 0.00 0.00 175.02 173.89 2xaq s GLU 352 N -1.35 2.73 -0.35 2.03 2.12 -1.26 -4.98 118.70 117.63 2xaq s GLU 352 Ca 0.18 -1.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.15 2xaq s GLU 352 Cb -0.12 -3.72 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 2xaq s GLU 352 CO 0.08 -0.78 0.33 -0.51 -0.54 0.00 0.00 175.26 173.85 2xaq s LEU 353 N 1.50 4.55 -0.08 2.70 1.43 -1.26 -0.61 118.68 126.91 2xaq s LEU 353 Ca 0.02 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2xaq s LEU 353 Cb -0.20 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2xaq s LEU 353 CO 0.05 -0.34 0.04 0.00 0.23 0.00 0.00 176.35 176.33 2xaq s ALA 354 N 1.93 3.46 1.21 4.21 0.00 -0.97 -4.91 121.76 126.69 2xaq s ALA 354 Ca 0.10 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2xaq s ALA 354 Cb -0.17 -1.60 0.19 0.00 0.00 0.00 0.00 23.12 21.54 2xaq s ALA 354 CO 0.11 0.61 0.50 1.63 0.00 0.00 0.00 175.76 178.61 2xaq n LYS 355 N 1.93 -3.01 -3.76 0.00 5.02 -1.26 -0.80 118.16 116.27 2xaq n LYS 355 Ca -0.18 -0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 55.15 2xaq n LYS 355 Cb 0.54 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.45 2xaq n LYS 355 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xaq s ILE 356 N -1.74 -0.06 -0.26 -0.18 1.01 -1.19 -4.58 121.20 114.19 2xaq s ILE 356 Ca 0.36 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 61.08 2xaq s ILE 356 Cb -0.05 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 2xaq s ILE 356 CO 0.29 0.09 0.35 -0.54 0.00 0.00 0.00 174.94 175.13 2xaq s LYS 357 N 1.12 4.04 0.13 2.79 1.02 -1.26 -4.80 119.74 122.78 2xaq s LYS 357 Ca -0.09 0.02 -0.33 0.00 0.02 0.00 0.00 55.97 55.60 2xaq s LYS 357 Cb -0.13 -3.63 -0.11 0.00 -0.52 0.00 0.00 37.83 33.45 2xaq s LYS 357 CO -0.04 -0.21 1.55 1.96 -0.92 0.00 0.00 175.35 177.70 2xaq h GLN 358 N 8.00 -0.43 -6.01 1.68 1.08 -1.99 -3.43 115.11 114.00 2xaq h GLN 358 Ca -0.33 0.03 -0.78 0.00 -1.45 0.00 0.00 58.65 56.12 2xaq h GLN 358 Cb 1.16 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 2xaq h GLN 358 CO 0.65 -0.29 1.16 1.17 -0.95 0.00 0.00 178.83 180.57 2xaq n LYS 359 N -5.39 0.19 -4.16 1.46 4.81 -1.26 -4.95 118.16 108.86 2xaq n LYS 359 Ca -0.04 0.06 -0.30 0.00 -0.87 0.00 0.00 58.31 57.16 2xaq n LYS 359 Cb 0.35 -1.65 -0.16 0.00 0.02 0.00 0.00 35.03 33.59 2xaq n LYS 359 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2xaq s PRO 361 N 1.32 3.17 0.01 0.00 0.04 -1.26 -4.89 135.00 133.40 2xaq s PRO 361 Ca 0.02 -0.70 0.06 0.00 0.04 0.00 0.00 61.00 60.42 2xaq s PRO 361 Cb -0.13 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2xaq s PRO 361 CO -0.08 -0.03 -0.18 -0.51 0.04 0.00 0.00 177.00 176.24 2xaq s LEU 362 N -4.33 2.08 -0.46 -3.56 1.43 -1.26 -0.10 118.68 112.49 2xaq s LEU 362 Ca 0.45 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2xaq s LEU 362 Cb -0.10 -0.88 0.14 0.00 0.03 0.00 0.00 46.19 45.39 2xaq s LEU 362 CO 0.34 0.18 0.27 -0.31 0.23 0.00 0.00 176.35 177.06 2xaq s TYR 363 N -0.55 1.97 0.46 0.29 1.51 -0.08 -1.91 117.35 119.03 2xaq s TYR 363 Ca 0.06 -2.45 -0.13 0.00 -1.01 0.00 0.00 57.07 53.54 2xaq s TYR 363 Cb -0.07 -1.81 -0.11 0.00 -0.11 0.00 0.00 41.96 39.85 2xaq s TYR 363 CO 0.00 -0.77 -0.21 0.39 -1.11 0.00 0.00 175.55 173.85 2xaq n GLU 364 N 3.36 0.00 -0.43 -0.62 1.02 -1.11 -3.30 120.64 119.57 2xaq n GLU 364 Ca 0.12 0.00 0.35 0.00 -0.02 0.00 0.00 57.16 57.61 2xaq n GLU 364 Cb 0.36 -0.75 0.64 0.00 -0.02 0.00 0.00 31.44 31.66 2xaq n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaq h ALA 365 N -0.18 2.71 0.31 0.62 0.00 -1.78 0.35 119.26 121.29 2xaq h ALA 365 Ca -0.31 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2xaq h ALA 365 Cb 1.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2xaq h ALA 365 CO 0.28 -1.28 -0.40 -2.95 0.00 0.00 0.00 179.25 174.91 2xaq h ASN 366 N 0.14 -1.10 0.00 0.00 7.08 -1.90 -3.47 115.58 116.33 2xaq h ASN 366 Ca 0.77 0.10 0.00 0.00 -3.08 0.00 0.00 56.30 54.09 2xaq h ASN 366 Cb 2.41 0.39 0.00 0.00 -2.08 0.00 0.00 38.32 39.03 2xaq h ASN 366 CO -0.36 -0.52 0.00 0.61 -2.08 0.00 0.00 177.43 175.08 2xaq n GLY 367 N -1.48 -0.23 3.32 9.14 0.00 0.12 -4.86 105.19 111.20 2xaq n GLY 367 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2xaq n GLY 367 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xaq s GLN 368 N 0.00 2.34 0.06 1.61 -0.21 -1.25 -4.42 119.66 117.80 2xaq s GLN 368 Ca 0.00 -0.88 -0.15 0.00 0.02 0.00 0.00 55.36 54.35 2xaq s GLN 368 Cb 0.00 -2.15 -0.08 0.00 1.00 0.00 0.00 33.01 31.78 2xaq s GLN 368 CO 0.00 0.50 0.32 0.00 -2.12 0.00 0.00 175.29 173.99 2xaq n ALA 369 N 2.61 -1.90 -2.65 6.09 0.00 -1.25 -2.75 120.51 120.66 2xaq n ALA 369 Ca -0.17 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2xaq n ALA 369 Cb 0.52 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 2xaq n ALA 369 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xaq s VAL 370 N -0.32 4.91 0.40 0.00 1.01 -0.80 -4.82 120.40 120.77 2xaq s VAL 370 Ca 0.34 1.43 -0.24 0.00 0.00 0.00 0.00 61.98 63.51 2xaq s VAL 370 Cb -0.48 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 2xaq s VAL 370 CO 0.26 0.01 0.72 -2.65 0.00 0.00 0.00 175.10 173.44 2xaq n PRO 371 N 5.56 0.82 -0.38 2.72 -0.01 -1.26 -4.59 135.00 137.85 2xaq n PRO 371 Ca 0.03 0.29 0.30 0.00 -0.01 0.00 0.00 63.50 64.11 2xaq n PRO 371 Cb 0.49 -1.65 0.58 0.00 -0.01 0.00 0.00 33.50 32.90 2xaq n PRO 371 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 2xaq h LYS 372 N 1.12 0.23 -0.52 -0.52 1.57 -1.99 0.09 116.57 116.54 2xaq h LYS 372 Ca -0.41 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.43 2xaq h LYS 372 Cb 1.38 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.54 2xaq h LYS 372 CO 0.54 0.15 -0.50 0.93 -0.57 0.00 0.00 179.45 180.00 2xaq h GLU 373 N 0.24 -0.29 0.10 3.15 4.39 -2.01 -2.57 114.58 117.60 2xaq h GLU 373 Ca 0.71 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.42 2xaq h GLU 373 Cb 2.03 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 2xaq h GLU 373 CO -0.37 -0.19 -0.05 0.87 -1.16 0.00 0.00 179.01 178.11 2xaq h LYS 374 N -0.30 -0.13 -0.66 2.33 1.57 -1.32 -2.77 116.57 115.29 2xaq h LYS 374 Ca 0.13 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 2xaq h LYS 374 Cb 0.57 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.79 2xaq h LYS 374 CO -0.66 0.16 -0.19 -3.47 -0.57 0.00 0.00 179.45 174.72 2xaq n ASP 375 N -4.84 -0.30 0.25 0.86 -0.08 -0.90 -0.35 116.55 111.19 2xaq n ASP 375 Ca -0.04 1.14 -0.10 0.00 -1.51 0.00 0.00 54.79 54.28 2xaq n ASP 375 Cb 0.17 -0.32 -0.05 0.00 2.34 0.00 0.00 41.12 43.27 2xaq n ASP 375 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2xaq h GLU 376 N 0.00 -0.61 -0.86 -0.67 5.08 -1.51 -2.60 114.58 113.40 2xaq h GLU 376 Ca 0.29 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.84 2xaq h GLU 376 Cb 0.45 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.69 2xaq h GLU 376 CO -0.67 -0.41 -0.33 1.98 -1.00 0.00 0.00 179.01 178.57 2xaq h MET 377 N -0.65 -0.04 -0.00 2.33 1.85 -0.39 0.21 114.93 118.23 2xaq h MET 377 Ca -0.07 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2xaq h MET 377 Cb 0.49 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.53 2xaq h MET 377 CO 0.11 -0.03 -0.00 0.28 -0.40 0.00 0.00 176.91 176.87 2xaq h VAL 378 N -0.04 1.27 0.43 -5.77 2.07 -1.04 -0.66 116.25 112.51 2xaq h VAL 378 Ca 0.34 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2xaq h VAL 378 Cb 0.60 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2xaq h VAL 378 CO -0.89 0.21 -0.30 -0.08 0.02 0.00 0.00 177.57 176.53 2xaq h GLU 379 N -0.33 -0.69 -1.18 1.57 4.81 -1.04 0.20 114.58 117.91 2xaq h GLU 379 Ca 0.00 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.62 2xaq h GLU 379 Cb 0.34 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 2xaq h GLU 379 CO 0.00 -0.46 0.83 0.37 -0.73 0.00 0.00 179.01 179.02 2xaq h GLN 380 N -0.71 0.07 0.28 1.92 4.15 -0.55 0.17 115.11 120.44 2xaq h GLN 380 Ca -0.04 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2xaq h GLN 380 Cb 0.60 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2xaq h GLN 380 CO 0.02 0.05 -0.13 1.49 -1.93 0.00 0.00 178.83 178.33 2xaq h GLU 381 N 0.08 -0.36 -0.81 1.69 4.57 0.50 -2.37 114.58 117.87 2xaq h GLU 381 Ca 0.59 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.90 2xaq h GLU 381 Cb 2.17 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 30.72 2xaq h GLU 381 CO -0.08 -0.05 -0.37 0.34 -1.18 0.00 0.00 179.01 177.67 2xaq n PHE 382 N -5.03 -0.09 0.08 0.92 7.35 0.53 0.62 117.46 121.84 2xaq n PHE 382 Ca -0.07 1.01 -0.12 0.00 -0.76 0.00 0.00 57.45 57.50 2xaq n PHE 382 Cb 0.24 -0.73 -0.05 0.00 0.35 0.00 0.00 39.48 39.29 2xaq n PHE 382 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2xaq h ASN 383 N 0.00 -0.50 -0.81 -2.13 2.35 -1.21 -0.54 115.58 112.75 2xaq h ASN 383 Ca 0.24 0.06 0.17 0.00 -0.55 0.00 0.00 56.30 56.21 2xaq h ASN 383 Cb 0.44 0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 2xaq h ASN 383 CO -0.79 -0.25 0.54 0.03 -1.65 0.00 0.00 177.43 175.31 2xaq h ARG 384 N -0.32 0.41 0.11 0.81 3.08 0.28 -1.95 114.38 116.80 2xaq h ARG 384 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2xaq h ARG 384 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2xaq h ARG 384 CO -0.12 0.27 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.93 2xaq h LEU 385 N 0.42 -0.12 0.53 3.04 3.38 0.18 -1.64 115.31 121.10 2xaq h LEU 385 Ca 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2xaq h LEU 385 Cb 0.94 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2xaq h LEU 385 CO -0.14 0.23 -0.44 -0.07 0.09 0.00 0.00 178.44 178.12 2xaq h LEU 386 N -0.49 -1.16 -0.84 1.67 3.38 -0.92 -0.79 115.31 116.16 2xaq h LEU 386 Ca -0.01 0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.33 2xaq h LEU 386 Cb 0.40 0.37 -0.15 0.00 0.09 0.00 0.00 40.66 41.37 2xaq h LEU 386 CO 0.02 -0.62 0.23 1.21 0.09 0.00 0.00 178.44 179.37 2xaq n GLU 387 N -5.54 -0.06 -0.02 1.13 2.13 -0.77 0.93 120.64 118.44 2xaq n GLU 387 Ca -0.12 1.21 -0.12 0.00 0.66 0.00 0.00 57.16 58.79 2xaq n GLU 387 Cb 0.43 -2.04 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 2xaq n GLU 387 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2xaq h ALA 388 N 1.68 0.14 -0.09 4.31 0.00 -0.24 -2.36 119.26 122.69 2xaq h ALA 388 Ca 0.61 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2xaq h ALA 388 Cb 1.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2xaq h ALA 388 CO -0.72 -0.25 0.17 1.79 0.00 0.00 0.00 179.25 180.24 2xaq h THR 389 N -0.02 0.25 0.04 0.00 1.35 0.19 -0.14 112.91 114.58 2xaq h THR 389 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2xaq h THR 389 Cb 0.22 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2xaq h THR 389 CO -0.00 0.00 -0.02 -1.28 -0.25 0.00 0.00 175.52 173.97 2xaq h SER 390 N 0.00 -0.04 -0.34 5.36 0.87 -0.60 -2.61 113.55 116.20 2xaq h SER 390 Ca 0.04 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2xaq h SER 390 Cb 0.37 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 2xaq h SER 390 CO -0.00 0.03 -0.07 0.00 -0.53 0.00 0.00 176.83 176.26 2xaq n TYR 391 N -2.44 0.14 0.01 2.24 4.19 -0.97 0.56 117.16 120.89 2xaq n TYR 391 Ca -0.01 0.42 -0.10 0.00 3.31 0.00 0.00 57.90 61.52 2xaq n TYR 391 Cb 0.02 -0.71 -0.03 0.00 0.49 0.00 0.00 39.34 39.11 2xaq n TYR 391 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2xaq h LEU 392 N 0.00 -0.52 -0.47 2.98 5.85 -0.89 0.72 115.31 122.97 2xaq h LEU 392 Ca 0.17 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2xaq h LEU 392 Cb 0.28 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2xaq h LEU 392 CO -0.35 -0.22 -0.00 -1.28 -0.34 0.00 0.00 178.44 176.25 2xaq h SER 393 N -0.23 0.82 0.00 1.25 0.87 0.50 -2.42 113.55 114.35 2xaq h SER 393 Ca 0.09 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.27 2xaq h SER 393 Cb 0.35 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2xaq h SER 393 CO -0.24 0.93 -0.43 0.45 -0.53 0.00 0.00 176.83 177.01 2xaq h HIS 394 N 0.69 0.00 0.12 2.24 3.86 -0.86 -3.08 115.15 118.13 2xaq h HIS 394 Ca 0.13 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.09 2xaq h HIS 394 Cb 0.51 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.01 2xaq h HIS 394 CO 0.04 0.97 -1.06 1.96 0.86 0.00 0.00 177.93 180.70 2xaq h GLN 395 N -1.00 0.50 -0.36 2.45 1.08 -1.02 -3.31 115.11 113.45 2xaq h GLN 395 Ca -0.11 -0.70 0.00 0.00 -1.45 0.00 0.00 58.65 56.39 2xaq h GLN 395 Cb 0.94 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2xaq h GLN 395 CO -0.07 1.31 0.00 1.28 -0.95 0.00 0.00 178.83 180.40 2xaq n LEU 396 N -3.94 3.07 -3.90 1.46 4.77 -1.04 -4.99 117.00 112.43 2xaq n LEU 396 Ca -0.14 -1.66 -0.36 0.00 -0.03 0.00 0.00 56.01 53.83 2xaq n LEU 396 Cb 0.91 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 2xaq n LEU 396 CO 0.54 0.71 -0.16 -0.67 -1.33 0.00 0.00 177.39 176.48 2xaq n ASP 397 N 1.01 -3.75 -3.83 -1.43 -0.08 -0.95 -4.85 116.55 102.67 2xaq n ASP 397 Ca 0.15 -1.13 -0.42 0.00 -1.51 0.00 0.00 54.79 51.88 2xaq n ASP 397 Cb 0.49 -2.63 0.01 0.00 2.34 0.00 0.00 41.12 41.32 2xaq n ASP 397 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2xaq n PHE 398 N -4.55 2.70 0.04 -0.67 7.35 -0.97 -4.70 117.46 116.66 2xaq n PHE 398 Ca -0.15 -2.73 0.01 0.00 -0.76 0.00 0.00 57.45 53.83 2xaq n PHE 398 Cb 0.60 -1.73 -0.01 0.00 0.35 0.00 0.00 39.48 38.69 2xaq n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2xaq n ASN 399 N 2.79 2.28 -4.36 -2.13 3.02 -1.26 -4.73 115.26 110.87 2xaq n ASN 399 Ca 0.40 -0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 2xaq n ASN 399 Cb 0.33 1.04 -0.14 0.00 -0.61 0.00 0.00 39.78 40.41 2xaq n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2xaq s VAL 400 N -1.64 2.13 -0.29 2.41 1.01 -1.26 -2.16 120.40 120.59 2xaq s VAL 400 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 2xaq s VAL 400 Cb 0.01 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.62 2xaq s VAL 400 CO 0.08 0.16 0.09 -0.22 0.00 0.00 0.00 175.10 175.21 2xaq s LEU 401 N -1.75 1.88 -0.98 3.92 2.96 0.13 -4.79 118.68 120.04 2xaq s LEU 401 Ca 0.12 -1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 52.42 2xaq s LEU 401 Cb -0.10 -0.77 0.02 0.00 0.50 0.00 0.00 46.19 45.84 2xaq s LEU 401 CO 0.04 -0.40 0.65 -0.46 -1.32 0.00 0.00 176.35 174.87 2xaq n ASN 402 N 4.93 -4.81 0.00 3.68 0.23 -1.26 -3.47 115.26 114.56 2xaq n ASN 402 Ca -0.04 -1.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2xaq n ASN 402 Cb 0.43 -2.00 0.00 0.00 -2.08 0.00 0.00 39.78 36.12 2xaq n ASN 402 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2xaq n ASN 403 N -2.42 0.00 -4.77 0.53 4.13 -1.26 -4.95 115.26 106.51 2xaq n ASN 403 Ca -0.21 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.68 2xaq n ASN 403 Cb 0.63 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 2xaq n ASN 403 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2xaq s LYS 404 N 0.00 3.79 0.01 3.52 0.00 -1.23 -5.02 119.74 120.81 2xaq s LYS 404 Ca 0.00 1.77 -0.23 0.00 0.00 0.00 0.00 55.97 57.51 2xaq s LYS 404 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 37.83 35.35 2xaq s LYS 404 CO 0.00 -0.52 0.68 -1.25 0.00 0.00 0.00 175.35 174.26 2xaq s PRO 405 N -2.67 4.41 0.18 1.78 0.04 -1.26 0.18 135.00 137.66 2xaq s PRO 405 Ca 0.63 0.90 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 2xaq s PRO 405 Cb -0.28 -3.36 -0.15 0.00 0.04 0.00 0.00 34.50 30.75 2xaq s PRO 405 CO 0.35 0.30 1.41 0.28 0.04 0.00 0.00 177.00 179.37 2xaq n VAL 406 N 2.88 0.46 -2.47 -0.36 0.31 -0.92 -4.79 118.33 113.44 2xaq n VAL 406 Ca -0.04 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 2xaq n VAL 406 Cb 0.51 -1.27 0.09 0.00 -0.91 0.00 0.00 33.84 32.25 2xaq n VAL 406 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2xaq s SER 407 N 0.48 4.54 -0.04 4.52 1.04 -1.26 -2.77 113.70 120.21 2xaq s SER 407 Ca 0.75 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.87 2xaq s SER 407 Cb -0.75 -0.45 -0.23 0.00 0.10 0.00 0.00 66.02 64.70 2xaq s SER 407 CO 0.46 -1.72 1.06 0.25 0.98 0.00 0.00 173.24 174.26 2xaq h LEU 408 N -0.50 0.22 0.00 2.42 5.85 -0.90 -2.98 115.31 119.42 2xaq h LEU 408 Ca -0.40 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.58 2xaq h LEU 408 Cb 1.28 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2xaq h LEU 408 CO 0.47 0.94 0.00 0.61 -0.34 0.00 0.00 178.44 180.11 2xaq n GLY 409 N 0.96 -1.44 0.00 3.75 0.00 0.57 -1.13 105.19 107.90 2xaq n GLY 409 Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2xaq n GLY 409 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xaq n GLN 410 N -0.52 0.00 0.24 1.61 6.02 -1.26 0.21 117.38 123.69 2xaq n GLN 410 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 2xaq n GLN 410 Cb 0.00 0.00 0.54 0.00 1.02 0.00 0.00 30.24 31.80 2xaq n GLN 410 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2xaq h ALA 411 N 0.00 1.00 0.06 -1.58 0.00 -1.12 0.12 119.26 117.75 2xaq h ALA 411 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xaq h ALA 411 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2xaq h ALA 411 CO 0.00 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 179.15 2xaq h LEU 412 N 0.00 -0.07 -0.62 0.00 3.38 0.41 -2.45 115.31 115.96 2xaq h LEU 412 Ca 0.00 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.51 2xaq h LEU 412 Cb 0.61 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 2xaq h LEU 412 CO 0.00 0.63 -0.41 -0.33 0.09 0.00 0.00 178.44 178.43 2xaq h GLU 413 N -0.92 -0.05 -1.11 1.13 5.08 -1.18 0.38 114.58 117.90 2xaq h GLU 413 Ca -0.01 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.67 2xaq h GLU 413 Cb 0.58 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2xaq h GLU 413 CO 0.01 -0.03 0.77 0.28 -1.00 0.00 0.00 179.01 179.04 2xaq h VAL 414 N -0.05 0.45 0.13 3.13 2.07 -0.81 0.26 116.25 121.44 2xaq h VAL 414 Ca 0.10 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.25 2xaq h VAL 414 Cb 0.31 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2xaq h VAL 414 CO -0.61 0.03 -1.62 0.58 0.02 0.00 0.00 177.57 175.96 2xaq h VAL 415 N 0.14 1.05 0.70 2.57 2.07 0.08 -2.51 116.25 120.35 2xaq h VAL 415 Ca 0.57 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.36 2xaq h VAL 415 Cb 1.96 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.46 2xaq h VAL 415 CO -0.12 0.82 -0.36 0.40 0.02 0.00 0.00 177.57 178.32 2xaq h ILE 416 N 0.07 0.26 -0.17 4.57 2.04 0.97 -2.31 117.51 122.95 2xaq h ILE 416 Ca -0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2xaq h ILE 416 Cb 2.04 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2xaq h ILE 416 CO 0.16 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.73 2xaq h GLN 417 N -0.97 -0.04 0.00 2.37 4.20 -0.63 0.96 115.11 120.99 2xaq h GLN 417 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2xaq h GLN 417 Cb 0.76 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2xaq h GLN 417 CO 0.14 -0.03 0.18 1.28 -0.67 0.00 0.00 178.83 179.73 2xaq n LEU 418 N -3.44 0.00 -0.09 1.46 4.32 -0.95 -0.76 117.00 117.54 2xaq n LEU 418 Ca -0.00 0.31 -0.16 0.00 -0.02 0.00 0.00 56.01 56.14 2xaq n LEU 418 Cb 0.07 -0.31 -0.08 0.00 -1.62 0.00 0.00 43.42 41.48 2xaq n LEU 418 CO -0.02 -0.31 -0.47 0.00 -1.22 0.00 0.00 177.39 175.37 2xaq n GLN 419 N -1.31 0.52 -0.20 3.23 1.13 0.31 -2.18 117.38 118.89 2xaq n GLN 419 Ca 0.00 0.56 -0.07 0.00 -1.94 0.00 0.00 57.00 55.55 2xaq n GLN 419 Cb 0.18 -1.73 -0.06 0.00 0.11 0.00 0.00 30.24 28.74 2xaq n GLN 419 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2xaq h GLU 420 N -1.00 -0.06 0.00 -1.09 5.08 0.88 -0.62 114.58 117.76 2xaq h GLU 420 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2xaq h GLU 420 Cb 1.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2xaq h GLU 420 CO -0.14 -0.04 0.00 1.17 -1.00 0.00 0.00 179.01 179.00 2xaq n LYS 421 N -4.31 0.00 0.32 2.33 0.00 0.06 0.80 118.16 117.36 2xaq n LYS 421 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 58.31 58.81 2xaq n LYS 421 Cb 0.17 -0.74 0.55 0.00 0.00 0.00 0.00 35.03 35.00 2xaq n LYS 421 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2xaq h HIS 422 N 0.00 0.00 -0.13 5.64 2.76 -1.27 -0.95 115.15 121.20 2xaq h HIS 422 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2xaq h HIS 422 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2xaq h HIS 422 CO -0.09 0.00 -0.02 -0.24 -1.30 0.00 0.00 177.93 176.27 2xaq h VAL 423 N 0.00 1.28 0.00 5.26 3.04 0.20 -2.87 116.25 123.16 2xaq h VAL 423 Ca 0.01 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2xaq h VAL 423 Cb 1.13 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 2xaq h VAL 423 CO -0.00 0.27 0.00 0.29 -1.01 0.00 0.00 177.57 177.12 2xaq n LYS 424 N -4.74 0.00 -0.29 4.17 5.02 -0.41 -2.39 118.16 119.53 2xaq n LYS 424 Ca -0.06 0.53 0.23 0.00 -2.02 0.00 0.00 58.31 56.99 2xaq n LYS 424 Cb 0.24 -1.41 0.37 0.00 -0.02 0.00 0.00 35.03 34.21 2xaq n LYS 424 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2xaq n ASP 425 N -1.95 0.07 -0.02 4.39 10.43 -0.92 0.95 116.55 129.50 2xaq n ASP 425 Ca 0.00 0.64 -0.13 0.00 2.57 0.00 0.00 54.79 57.87 2xaq n ASP 425 Cb 0.00 -0.32 -0.10 0.00 1.84 0.00 0.00 41.12 42.54 2xaq n ASP 425 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2xaq h GLU 426 N 0.00 0.02 0.52 -1.24 4.39 -1.23 -1.33 114.58 115.71 2xaq h GLU 426 Ca 0.46 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 2xaq h GLU 426 Cb 1.63 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2xaq h GLU 426 CO -0.15 0.54 -0.31 1.96 -1.16 0.00 0.00 179.01 179.88 2xaq h GLN 427 N -0.50 -0.75 -0.94 2.33 4.20 0.74 -1.70 115.11 118.50 2xaq h GLN 427 Ca 0.00 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.85 2xaq h GLN 427 Cb 0.54 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.37 2xaq h GLN 427 CO 0.00 -0.50 -0.55 -0.89 -0.67 0.00 0.00 178.83 176.22 2xaq n ILE 428 N -4.29 -0.63 0.35 2.54 5.41 -0.68 0.15 119.36 122.21 2xaq n ILE 428 Ca -0.10 2.26 0.09 0.00 1.00 0.00 0.00 62.75 66.01 2xaq n ILE 428 Cb 0.32 -2.80 0.41 0.00 -0.71 0.00 0.00 39.64 36.86 2xaq n ILE 428 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2xaq n GLU 429 N -5.17 0.12 -0.02 0.38 -0.00 -0.50 -1.31 120.64 114.14 2xaq n GLU 429 Ca 0.02 0.41 -0.04 0.00 -0.00 0.00 0.00 57.16 57.55 2xaq n GLU 429 Cb 0.24 -1.75 -0.03 0.00 -0.00 0.00 0.00 31.44 29.90 2xaq n GLU 429 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2xaq h HIS 430 N 0.00 -0.07 0.47 -1.84 2.76 0.23 -3.27 115.15 113.43 2xaq h HIS 430 Ca 0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2xaq h HIS 430 Cb 0.25 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2xaq h HIS 430 CO 0.00 0.15 -0.47 -1.49 -1.30 0.00 0.00 177.93 174.82 2xaq h TRP 431 N -1.01 -1.30 0.00 5.26 4.06 -1.01 -1.86 115.95 120.11 2xaq h TRP 431 Ca -0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2xaq h TRP 431 Cb 0.25 0.50 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 2xaq h TRP 431 CO 0.05 -0.63 0.00 1.17 -3.56 0.00 0.00 178.44 175.47 2xaq n LYS 432 N -5.54 0.00 0.00 0.49 4.81 -0.43 0.25 118.16 117.74 2xaq n LYS 432 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2xaq n LYS 432 Cb 0.44 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2xaq n LYS 432 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2xaq n LYS 433 N -0.53 2.50 0.18 1.64 4.81 -0.74 -4.05 118.16 121.97 2xaq n LYS 433 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2xaq n LYS 433 Cb 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 35.03 34.24 2xaq n LYS 433 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2xaq h ILE 434 N 0.00 0.20 0.00 3.15 2.04 0.38 -3.24 117.51 120.05 2xaq h ILE 434 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2xaq h ILE 434 Cb 0.00 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2xaq h ILE 434 CO 0.00 0.05 0.00 1.33 0.00 0.00 0.00 178.15 179.53 2xaq n VAL 435 N -5.13 0.00 0.26 1.67 0.24 -0.28 0.18 118.33 115.27 2xaq n VAL 435 Ca -0.08 1.33 0.00 0.00 -2.04 0.00 0.00 64.34 63.56 2xaq n VAL 435 Cb 0.25 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 2xaq n VAL 435 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2xaq n LYS 436 N -2.09 0.02 -0.13 7.34 4.81 -1.26 0.79 118.16 127.65 2xaq n LYS 436 Ca 0.00 0.76 -0.19 0.00 -0.87 0.00 0.00 58.31 58.00 2xaq n LYS 436 Cb 0.00 -2.17 -0.11 0.00 0.02 0.00 0.00 35.03 32.76 2xaq n LYS 436 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2xaq n THR 437 N -2.12 1.44 -0.12 3.15 -1.04 0.11 -3.35 114.28 112.35 2xaq n THR 437 Ca 0.00 -0.52 -0.06 0.00 -2.04 0.00 0.00 64.05 61.43 2xaq n THR 437 Cb 0.83 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2xaq n THR 437 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2xaq h GLN 438 N -0.16 -0.17 0.00 -2.82 5.75 0.47 -2.10 115.11 116.08 2xaq h GLN 438 Ca -0.58 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 2xaq h GLN 438 Cb 1.82 0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.41 2xaq h GLN 438 CO -0.14 -0.11 0.00 1.49 -2.65 0.00 0.00 178.83 177.42 2xaq h GLU 439 N -0.17 0.00 0.00 1.69 4.81 -0.99 0.51 114.58 120.42 2xaq h GLU 439 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2xaq h GLU 439 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2xaq h GLU 439 CO -0.52 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 175.85 2xaq n GLU 440 N -3.07 0.11 -0.09 1.92 2.13 -0.88 -3.41 120.64 117.34 2xaq n GLU 440 Ca 0.00 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.77 2xaq n GLU 440 Cb 0.29 -1.64 -0.12 0.00 0.27 0.00 0.00 31.44 30.23 2xaq n GLU 440 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2xaq h LEU 441 N 0.00 0.00 0.00 4.31 5.85 0.63 -3.25 115.31 122.85 2xaq h LEU 441 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2xaq h LEU 441 Cb 0.55 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2xaq h LEU 441 CO 0.00 1.33 0.00 1.17 -0.34 0.00 0.00 178.44 180.60 2xaq n LYS 442 N -4.49 0.00 -0.56 1.25 4.81 -0.76 0.93 118.16 119.35 2xaq n LYS 442 Ca -0.25 0.63 0.42 0.00 -0.87 0.00 0.00 58.31 58.25 2xaq n LYS 442 Cb 0.62 -1.01 0.65 0.00 0.02 0.00 0.00 35.03 35.30 2xaq n LYS 442 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2xaq n GLU 443 N -2.15 -0.00 0.00 1.64 1.02 -1.22 0.64 120.64 120.57 2xaq n GLU 443 Ca 0.00 0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 2xaq n GLU 443 Cb 0.00 -1.99 -0.14 0.00 -0.02 0.00 0.00 31.44 29.29 2xaq n GLU 443 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2xaq h LEU 444 N 0.00 0.16 0.43 -4.62 5.85 0.53 -3.15 115.31 114.50 2xaq h LEU 444 Ca 0.75 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 2xaq h LEU 444 Cb 2.98 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.96 2xaq h LEU 444 CO -0.03 1.27 -0.21 -0.07 -0.34 0.00 0.00 178.44 179.06 2xaq h LEU 445 N 0.03 -0.49 -0.39 2.25 3.38 0.31 -1.17 115.31 119.24 2xaq h LEU 445 Ca -0.29 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.62 2xaq h LEU 445 Cb 2.00 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.82 2xaq h LEU 445 CO 0.10 -0.14 -0.32 0.78 0.09 0.00 0.00 178.44 178.95 2xaq h ASN 446 N -0.87 -1.11 -1.30 -0.43 4.21 -1.59 1.24 115.58 115.73 2xaq h ASN 446 Ca -0.06 0.16 0.40 0.00 1.21 0.00 0.00 56.30 58.01 2xaq h ASN 446 Cb 0.56 0.47 -0.11 0.00 -1.12 0.00 0.00 38.32 38.13 2xaq h ASN 446 CO 0.10 -0.17 0.86 0.50 -1.29 0.00 0.00 177.43 177.42 2xaq h LYS 447 N -0.11 0.13 0.15 0.81 3.64 -1.55 -1.37 116.57 118.26 2xaq h LYS 447 Ca 0.06 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.15 2xaq h LYS 447 Cb 0.28 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2xaq h LYS 447 CO -0.42 0.09 -1.43 0.52 -2.27 0.00 0.00 179.45 175.93 2xaq h MET 448 N 0.14 0.31 0.34 1.90 2.86 0.24 -3.28 114.93 117.44 2xaq h MET 448 Ca 0.75 -0.53 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2xaq h MET 448 Cb 2.40 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 34.23 2xaq h MET 448 CO -0.31 1.25 -0.52 0.28 1.06 0.00 0.00 176.91 178.68 2xaq h VAL 449 N -0.18 0.00 0.00 -2.22 2.07 0.16 -1.92 116.25 114.16 2xaq h VAL 449 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2xaq h VAL 449 Cb 1.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2xaq h VAL 449 CO 0.12 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.30 2xaq n ASN 450 N -5.52 0.00 -0.01 0.57 4.13 -0.60 -0.81 115.26 113.02 2xaq n ASN 450 Ca -0.11 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.14 2xaq n ASN 450 Cb 0.44 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.67 2xaq n ASN 450 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2xaq n LEU 451 N -0.43 1.43 -0.25 3.41 7.94 -0.78 -4.09 117.00 124.23 2xaq n LEU 451 Ca 0.00 -0.01 0.16 0.00 -1.11 0.00 0.00 56.01 55.05 2xaq n LEU 451 Cb 0.00 -0.02 0.45 0.00 0.53 0.00 0.00 43.42 44.38 2xaq n LEU 451 CO 0.00 0.29 1.22 0.50 -1.11 0.00 0.00 177.39 178.29 2xaq h LYS 452 N 0.00 0.51 0.00 1.96 3.64 -0.38 -0.97 116.57 121.33 2xaq h LYS 452 Ca -0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2xaq h LYS 452 Cb 1.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2xaq h LYS 452 CO -0.00 0.34 0.00 0.39 -2.27 0.00 0.00 179.45 177.91 2xaq n GLU 453 N -4.55 0.00 -0.21 1.90 4.71 -0.81 -1.36 120.64 120.33 2xaq n GLU 453 Ca 0.18 0.11 0.31 0.00 -0.01 0.00 0.00 57.16 57.76 2xaq n GLU 453 Cb 0.60 -0.71 0.69 0.00 -1.01 0.00 0.00 31.44 31.00 2xaq n GLU 453 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2xaq h LYS 454 N 0.00 0.00 0.14 3.49 1.57 -1.68 -0.75 116.57 119.35 2xaq h LYS 454 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2xaq h LYS 454 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2xaq h LYS 454 CO 0.00 0.00 -0.07 0.82 -0.57 0.00 0.00 179.45 179.63 2xaq h ILE 455 N 0.00 0.80 -0.37 1.86 2.04 -1.06 -0.09 117.51 120.69 2xaq h ILE 455 Ca 0.47 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 65.17 2xaq h ILE 455 Cb 2.19 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 39.60 2xaq h ILE 455 CO -0.00 0.22 -0.32 0.50 0.00 0.00 0.00 178.15 178.55 2xaq h LYS 456 N -0.90 -0.12 -0.70 2.37 3.64 0.12 0.55 116.57 121.53 2xaq h LYS 456 Ca -0.02 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 2xaq h LYS 456 Cb 0.51 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2xaq h LYS 456 CO 0.03 -0.08 0.49 1.49 -2.27 0.00 0.00 179.45 179.12 2xaq h GLU 457 N -0.12 0.11 0.00 1.90 4.81 -1.48 0.35 114.58 120.15 2xaq h GLU 457 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2xaq h GLU 457 Cb 0.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2xaq h GLU 457 CO -0.42 0.08 -0.73 1.25 -0.73 0.00 0.00 179.01 178.46 2xaq h LEU 458 N 0.12 0.00 0.21 1.64 7.12 -0.23 -2.91 115.31 121.26 2xaq h LEU 458 Ca 0.34 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.28 2xaq h LEU 458 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2xaq h LEU 458 CO -0.04 0.03 -0.10 -0.74 -0.13 0.00 0.00 178.44 177.46 2xaq h HIS 459 N 0.00 -0.26 0.00 1.25 2.76 0.13 -2.42 115.15 116.60 2xaq h HIS 459 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2xaq h HIS 459 Cb 0.92 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2xaq h HIS 459 CO 0.00 0.13 0.00 0.94 -1.30 0.00 0.00 177.93 177.70 2xaq n GLN 460 N -5.00 0.00 -0.33 5.26 -0.06 -0.90 0.10 117.38 116.45 2xaq n GLN 460 Ca -0.08 0.39 0.20 0.00 -2.00 0.00 0.00 57.00 55.51 2xaq n GLN 460 Cb 0.26 -0.67 0.40 0.00 -4.06 0.00 0.00 30.24 26.17 2xaq n GLN 460 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2xaq h GLN 461 N 0.00 0.06 -0.10 3.69 4.20 -1.52 0.49 115.11 121.93 2xaq h GLN 461 Ca 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2xaq h GLN 461 Cb 0.00 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2xaq h GLN 461 CO 0.00 0.04 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.21 2xaq h TYR 462 N 0.06 0.26 0.00 2.96 5.03 -0.50 -1.18 116.97 123.60 2xaq h TYR 462 Ca 0.68 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.93 2xaq h TYR 462 Cb 1.56 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.76 2xaq h TYR 462 CO -0.27 0.62 -0.31 -0.22 -1.32 0.00 0.00 178.16 176.66 2xaq h LYS 463 N -0.17 -0.37 -0.48 1.82 1.63 0.54 -1.21 116.57 118.33 2xaq h LYS 463 Ca 0.02 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2xaq h LYS 463 Cb 0.56 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.22 2xaq h LYS 463 CO 0.02 -0.25 -0.29 0.39 -3.45 0.00 0.00 179.45 175.88 2xaq n GLU 464 N -4.18 -0.21 -0.23 1.90 1.02 -0.15 -0.03 120.64 118.75 2xaq n GLU 464 Ca -0.04 1.23 0.32 0.00 -0.02 0.00 0.00 57.16 58.64 2xaq n GLU 464 Cb 0.23 -1.82 0.65 0.00 -0.02 0.00 0.00 31.44 30.48 2xaq n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaq h ALA 465 N -0.25 2.92 0.00 0.62 0.00 -0.61 0.48 119.26 122.43 2xaq h ALA 465 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2xaq h ALA 465 Cb 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2xaq h ALA 465 CO -0.45 -1.50 -1.49 0.43 0.00 0.00 0.00 179.25 176.23 2xaq n SER 466 N -3.69 0.62 -0.08 0.00 7.64 0.96 -4.05 113.62 115.02 2xaq n SER 466 Ca 0.23 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.29 2xaq n SER 466 Cb 1.30 0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 65.14 2xaq n SER 466 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2xaq h GLU 467 N 0.00 0.32 -5.00 1.43 4.39 0.15 -3.39 114.58 112.48 2xaq h GLU 467 Ca -0.12 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2xaq h GLU 467 Cb 1.38 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 2xaq h GLU 467 CO 0.02 0.21 1.22 0.28 -1.16 0.00 0.00 179.01 179.59 2xaq n VAL 468 N -4.94 0.00 -1.63 3.13 0.31 -1.21 -4.86 118.33 109.13 2xaq n VAL 468 Ca -0.01 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 2xaq n VAL 468 Cb 0.06 -0.01 0.06 0.00 -0.91 0.00 0.00 33.84 33.04 2xaq n VAL 468 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2xaq n LYS 469 N 4.72 0.91 -0.83 5.55 4.76 -1.26 -4.94 118.16 127.07 2xaq n LYS 469 Ca 0.15 0.36 -0.34 0.00 -2.87 0.00 0.00 58.31 55.60 2xaq n LYS 469 Cb 0.42 -2.21 0.11 0.00 -1.84 0.00 0.00 35.03 31.51 2xaq n LYS 469 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2xaq n PRO 470 N -1.14 -0.57 -1.71 1.97 -0.02 -1.26 -4.57 135.00 127.69 2xaq n PRO 470 Ca 0.14 -0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 2xaq n PRO 470 Cb 0.47 -1.53 0.04 0.00 -0.02 0.00 0.00 33.50 32.46 2xaq n PRO 470 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2xaq s PRO 471 N -3.04 3.12 0.26 0.52 0.04 -1.26 -5.18 135.00 129.46 2xaq s PRO 471 Ca 0.50 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.59 2xaq s PRO 471 Cb -0.14 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2xaq s PRO 471 CO 0.70 -0.96 -0.11 -0.98 0.04 0.00 0.00 177.00 175.69 2xaq s ARG 472 N -4.87 1.52 0.46 4.56 1.70 -1.26 -5.14 118.95 115.91 2xaq s ARG 472 Ca 0.59 -1.73 -0.12 0.00 -0.47 0.00 0.00 55.73 53.99 2xaq s ARG 472 Cb -0.14 -1.28 -0.07 0.00 -0.57 0.00 0.00 34.95 32.90 2xaq s ARG 472 CO 0.51 0.14 0.86 0.16 -1.08 0.00 0.00 175.30 175.89 2xaq s ASP 473 N -3.42 6.52 0.45 -2.89 1.47 -1.26 -4.92 116.67 112.62 2xaq s ASP 473 Ca 0.27 1.28 0.20 0.00 1.18 0.00 0.00 52.55 55.49 2xaq s ASP 473 Cb 0.01 -2.39 1.17 0.00 -0.34 0.00 0.00 42.92 41.37 2xaq s ASP 473 CO 0.11 -0.50 1.87 -0.29 0.68 0.00 0.00 175.17 177.04 2xaq h ILE 474 N 0.90 0.66 0.00 2.11 6.09 -2.00 -1.60 117.51 123.67 2xaq h ILE 474 Ca -0.47 -0.11 -0.05 0.00 -1.37 0.00 0.00 64.86 62.86 2xaq h ILE 474 Cb 1.19 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 2xaq h ILE 474 CO 0.63 0.06 -0.24 0.71 -3.07 0.00 0.00 178.15 176.24 2xaq h THR 475 N 0.31 0.65 0.10 2.19 1.35 -1.99 -0.17 112.91 115.36 2xaq h THR 475 Ca 0.45 -1.08 -0.28 0.00 -0.55 0.00 0.00 66.41 64.94 2xaq h THR 475 Cb 1.25 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 2xaq h THR 475 CO -0.14 0.23 -1.39 0.00 -0.25 0.00 0.00 175.52 173.98 2xaq h ALA 476 N 1.76 0.25 0.46 6.62 0.00 -1.68 -2.07 119.26 124.59 2xaq h ALA 476 Ca -0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 2xaq h ALA 476 Cb 0.68 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2xaq h ALA 476 CO 0.03 1.12 -0.41 1.49 0.00 0.00 0.00 179.25 181.47 2xaq h GLU 477 N 0.06 -0.83 -0.98 0.00 4.57 -1.30 -2.26 114.58 113.84 2xaq h GLU 477 Ca -0.18 0.06 0.33 0.00 -1.18 0.00 0.00 59.36 58.39 2xaq h GLU 477 Cb 1.98 0.19 -0.16 0.00 -0.16 0.00 0.00 28.75 30.59 2xaq h GLU 477 CO 0.17 -0.55 0.41 0.35 -1.18 0.00 0.00 179.01 178.21 2xaq h PHE 478 N -0.86 0.63 -0.52 0.92 3.57 -1.09 0.36 116.94 119.95 2xaq h PHE 478 Ca -0.06 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2xaq h PHE 478 Cb 0.73 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 2xaq h PHE 478 CO -0.19 -0.33 0.25 1.25 -2.23 0.00 0.00 178.31 177.06 2xaq h LEU 479 N 0.14 0.65 0.32 0.59 5.85 -0.78 0.69 115.31 122.77 2xaq h LEU 479 Ca 0.72 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.37 2xaq h LEU 479 Cb 1.71 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2xaq h LEU 479 CO -0.73 0.56 -0.16 0.58 -0.34 0.00 0.00 178.44 178.35 2xaq h VAL 480 N 0.73 0.00 -0.58 1.05 2.07 -0.02 -1.45 116.25 118.04 2xaq h VAL 480 Ca 0.18 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2xaq h VAL 480 Cb 0.07 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.74 2xaq h VAL 480 CO -0.03 0.00 -0.41 0.11 0.02 0.00 0.00 177.57 177.26 2xaq h LYS 481 N -0.59 -0.20 0.00 1.57 1.79 -1.19 0.33 116.57 118.27 2xaq h LYS 481 Ca -0.04 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2xaq h LYS 481 Cb 0.33 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2xaq h LYS 481 CO 0.07 -0.14 0.00 0.45 -1.08 0.00 0.00 179.45 178.76 2xaq n SER 482 N -5.41 0.00 -0.02 0.86 2.88 0.24 -1.41 113.62 110.75 2xaq n SER 482 Ca 0.02 0.88 0.22 0.00 -1.33 0.00 0.00 58.87 58.66 2xaq n SER 482 Cb 0.35 -0.38 0.71 0.00 -0.75 0.00 0.00 64.21 64.14 2xaq n SER 482 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2xaq h LYS 483 N 0.00 0.00 0.23 -1.46 1.79 0.11 -0.05 116.57 117.19 2xaq h LYS 483 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2xaq h LYS 483 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2xaq h LYS 483 CO 0.00 0.00 -0.16 1.25 -1.08 0.00 0.00 179.45 179.46 2xaq h HIS 484 N 0.00 -0.42 0.00 -1.35 2.76 0.69 -1.73 115.15 115.10 2xaq h HIS 484 Ca 0.28 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2xaq h HIS 484 Cb 1.17 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2xaq h HIS 484 CO 0.00 -0.23 0.00 -2.13 -1.30 0.00 0.00 177.93 174.27 2xaq n ARG 485 N -3.22 0.00 0.11 5.26 0.63 -0.15 -0.39 116.66 118.90 2xaq n ARG 485 Ca -0.04 0.50 0.06 0.00 -0.92 0.00 0.00 57.85 57.44 2xaq n ARG 485 Cb 0.16 -1.00 0.09 0.00 0.45 0.00 0.00 32.46 32.15 2xaq n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2xaq n ASP 486 N -1.00 0.00 -0.07 6.15 9.92 -0.54 -0.75 116.55 130.27 2xaq n ASP 486 Ca 0.00 0.38 -0.05 0.00 -0.53 0.00 0.00 54.79 54.59 2xaq n ASP 486 Cb 0.00 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.41 2xaq n ASP 486 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2xaq h LEU 487 N 0.00 0.00 0.01 0.64 5.85 0.25 -3.17 115.31 118.88 2xaq h LEU 487 Ca 0.10 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2xaq h LEU 487 Cb 1.50 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 2xaq h LEU 487 CO -0.00 0.77 -0.32 0.71 -0.34 0.00 0.00 178.44 179.25 2xaq h THR 488 N -1.00 0.30 -1.55 1.05 1.35 0.48 0.67 112.91 114.21 2xaq h THR 488 Ca -0.02 0.00 0.47 0.00 -0.55 0.00 0.00 66.41 66.30 2xaq h THR 488 Cb 0.49 0.30 -0.08 0.00 -1.73 0.00 0.00 68.15 67.13 2xaq h THR 488 CO -0.01 0.00 1.10 0.00 -0.25 0.00 0.00 175.52 176.36 2xaq n ALA 489 N -2.77 1.50 0.10 6.62 0.00 -0.84 0.12 120.51 125.24 2xaq n ALA 489 Ca -0.05 0.59 0.11 0.00 0.00 0.00 0.00 53.44 54.09 2xaq n ALA 489 Cb 0.33 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2xaq n ALA 489 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2xaq n LEU 490 N -3.78 0.79 0.09 0.00 4.77 0.21 -3.98 117.00 115.10 2xaq n LEU 490 Ca 0.37 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 56.42 2xaq n LEU 490 Cb 1.61 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 42.50 2xaq n LEU 490 CO 0.32 -0.17 -0.41 0.00 -1.33 0.00 0.00 177.39 175.80 2xaq n LYS 492 N -3.61 0.00 -0.36 0.00 3.00 -0.02 -0.56 118.16 116.62 2xaq n LYS 492 Ca -0.21 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 2xaq n LYS 492 Cb 1.08 -0.82 0.05 0.00 0.00 0.00 0.00 35.03 35.35 2xaq n LYS 492 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2xaq n GLU 493 N -1.97 -0.20 0.20 1.64 1.02 -1.23 -0.56 120.64 119.55 2xaq n GLU 493 Ca 0.00 1.44 0.07 0.00 -0.02 0.00 0.00 57.16 58.65 2xaq n GLU 493 Cb 0.00 -2.15 0.40 0.00 -0.02 0.00 0.00 31.44 29.68 2xaq n GLU 493 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2xaq h TYR 494 N 0.00 0.00 0.19 -0.32 3.20 -1.24 0.15 116.97 118.94 2xaq h TYR 494 Ca 0.34 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 2xaq h TYR 494 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2xaq h TYR 494 CO -0.81 0.33 -0.09 -0.44 -1.64 0.00 0.00 178.16 175.51 2xaq h ASP 495 N 0.00 -0.21 0.21 -2.11 3.32 0.17 -0.69 116.42 117.11 2xaq h ASP 495 Ca -0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2xaq h ASP 495 Cb 0.78 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2xaq h ASP 495 CO 0.04 0.22 0.00 -0.62 -1.72 0.00 0.00 179.24 177.17 2xaq n GLU 496 N -5.01 0.01 -0.06 3.56 1.02 0.02 -0.06 120.64 120.13 2xaq n GLU 496 Ca -0.09 0.37 -0.03 0.00 -0.02 0.00 0.00 57.16 57.39 2xaq n GLU 496 Cb 0.25 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.02 2xaq n GLU 496 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2xaq n LEU 497 N -1.47 0.10 -0.13 -4.62 4.32 0.49 -3.57 117.00 112.12 2xaq n LEU 497 Ca 0.02 0.04 -0.11 0.00 -0.02 0.00 0.00 56.01 55.94 2xaq n LEU 497 Cb 0.07 0.31 -0.02 0.00 -1.62 0.00 0.00 43.42 42.16 2xaq n LEU 497 CO 0.06 0.32 0.77 0.00 -1.22 0.00 0.00 177.39 177.31 2xaq h ALA 498 N 1.33 0.52 -2.29 -1.18 0.00 0.59 -2.50 119.26 115.72 2xaq h ALA 498 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2xaq h ALA 498 Cb 1.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2xaq h ALA 498 CO 0.02 0.32 0.00 -1.91 0.00 0.00 0.00 179.25 177.68 2xaq n GLU 499 N -4.44 0.00 -0.38 0.00 4.07 0.92 -1.69 120.64 119.12 2xaq n GLU 499 Ca -0.01 0.17 0.31 0.00 -0.06 0.00 0.00 57.16 57.57 2xaq n GLU 499 Cb 0.30 -0.55 0.51 0.00 -0.06 0.00 0.00 31.44 31.64 2xaq n GLU 499 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2xaq n THR 500 N -0.39 -0.12 -0.07 6.31 -1.04 -1.23 -0.16 114.28 117.57 2xaq n THR 500 Ca 0.00 1.20 -0.08 0.00 -2.04 0.00 0.00 64.05 63.14 2xaq n THR 500 Cb 0.00 -1.98 0.09 0.00 -1.82 0.00 0.00 70.33 66.62 2xaq n THR 500 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2xaq h GLN 501 N 0.00 0.73 0.82 -2.82 4.15 -0.85 -2.99 115.11 114.14 2xaq h GLN 501 Ca 0.63 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 2xaq h GLN 501 Cb 2.20 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 29.88 2xaq h GLN 501 CO -0.23 0.92 -0.39 0.78 -1.93 0.00 0.00 178.83 177.98 2xaq h GLY 502 N 0.97 -1.14 -0.64 2.39 0.00 -0.21 -2.48 103.07 101.96 2xaq h GLY 502 Ca 0.08 0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.91 2xaq h GLY 502 CO 0.06 -0.42 -0.32 0.28 0.00 0.00 0.00 176.54 176.15 2xaq n LYS 503 N -5.50 -0.22 0.09 4.80 5.02 -1.22 -0.62 118.16 120.51 2xaq n LYS 503 Ca -0.14 0.97 0.13 0.00 -2.02 0.00 0.00 58.31 57.25 2xaq n LYS 503 Cb 0.43 -1.43 0.45 0.00 -0.02 0.00 0.00 35.03 34.46 2xaq n LYS 503 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2xaq n LEU 504 N -4.86 0.64 0.06 -0.35 4.77 -1.13 -1.47 117.00 114.66 2xaq n LEU 504 Ca 0.04 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.45 2xaq n LEU 504 Cb 0.21 -0.40 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 2xaq n LEU 504 CO -0.10 -0.24 -0.21 -0.08 -1.33 0.00 0.00 177.39 175.44 2xaq h GLU 505 N 0.00 0.19 0.00 3.23 4.81 -0.38 -3.35 114.58 119.07 2xaq h GLU 505 Ca 0.00 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2xaq h GLU 505 Cb 0.61 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2xaq h GLU 505 CO 0.00 1.06 -0.10 1.05 -0.73 0.00 0.00 179.01 180.29 2xaq h GLU 506 N 0.05 0.00 -0.48 1.92 4.11 -1.38 -3.31 114.58 115.49 2xaq h GLU 506 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2xaq h GLU 506 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2xaq h GLU 506 CO 0.16 0.85 0.00 1.17 0.07 0.00 0.00 179.01 181.26 2xaq n LYS 507 N -4.62 0.00 0.00 1.06 4.81 -0.54 -0.25 118.16 118.62 2xaq n LYS 507 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2xaq n LYS 507 Cb 0.43 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.69 2xaq n LYS 507 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2xaq n LEU 508 N 0.39 0.00 -0.04 3.14 0.00 -1.25 -4.34 117.00 114.90 2xaq n LEU 508 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 2xaq n LEU 508 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 2xaq n LEU 508 CO 0.00 0.00 0.42 1.56 0.00 0.00 0.00 177.39 179.37 2xaq h GLN 509 N 0.00 0.07 0.00 1.96 4.20 -0.71 -2.92 115.11 117.72 2xaq h GLN 509 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2xaq h GLN 509 Cb 0.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2xaq h GLN 509 CO 0.00 0.89 0.00 -1.91 -0.67 0.00 0.00 178.83 177.14 2xaq n GLU 510 N -4.60 0.00 0.26 1.46 4.07 -0.89 0.14 120.64 121.08 2xaq n GLU 510 Ca -0.10 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.14 2xaq n GLU 510 Cb 0.46 0.00 0.71 0.00 -0.06 0.00 0.00 31.44 32.55 2xaq n GLU 510 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2xaq h LEU 511 N 0.00 0.00 -0.03 4.31 3.38 -1.75 0.04 115.31 121.26 2xaq h LEU 511 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xaq h LEU 511 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2xaq h LEU 511 CO 0.00 0.12 -0.23 -0.62 0.09 0.00 0.00 178.44 177.79 2xaq n GLU 512 N -3.47 0.08 0.07 1.13 1.02 0.29 -3.95 120.64 115.81 2xaq n GLU 512 Ca -0.01 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.90 2xaq n GLU 512 Cb 0.27 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 2xaq n GLU 512 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaq h ALA 513 N 3.07 0.23 -2.45 0.62 0.00 0.33 -3.40 119.26 117.65 2xaq h ALA 513 Ca 0.00 -1.14 -0.70 0.00 0.00 0.00 0.00 54.91 53.08 2xaq h ALA 513 Cb 0.49 0.38 -0.36 0.00 0.00 0.00 0.00 17.79 18.29 2xaq h ALA 513 CO 0.00 1.09 -0.05 0.27 0.00 0.00 0.00 179.25 180.56 2xaq n ASN 514 N -3.51 4.55 -4.74 0.00 6.94 -1.17 -5.07 115.26 112.25 2xaq n ASN 514 Ca -0.21 -3.29 -0.34 0.00 -0.02 0.00 0.00 54.58 50.73 2xaq n ASN 514 Cb 1.06 -0.98 0.07 0.00 -2.36 0.00 0.00 39.78 37.57 2xaq n ASN 514 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2xaq s PRO 515 N -2.04 2.42 1.10 -0.53 0.04 -1.26 -4.99 135.00 129.75 2xaq s PRO 515 Ca 0.32 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 2xaq s PRO 515 Cb 0.02 -1.89 0.25 0.00 0.04 0.00 0.00 34.50 32.93 2xaq s PRO 515 CO -0.04 -1.58 1.06 -2.14 0.04 0.00 0.00 177.00 174.34 2xaq s PRO 516 N -4.03 -0.47 0.46 0.56 0.02 -1.26 -4.98 135.00 125.30 2xaq s PRO 516 Ca 0.70 1.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 2xaq s PRO 516 Cb -0.25 -1.59 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2xaq s PRO 516 CO 0.44 -3.49 1.36 -1.12 -0.33 0.00 0.00 177.00 173.87 2xaq s SER 517 N -2.51 5.89 0.16 2.53 0.01 -1.26 -4.93 113.70 113.59 2xaq s SER 517 Ca 0.68 2.78 0.10 0.00 1.31 0.00 0.00 55.95 60.82 2xaq s SER 517 Cb -0.25 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.21 2xaq s SER 517 CO 0.63 -1.15 1.31 -2.24 0.41 0.00 0.00 173.24 172.20 2xaq h ASP 518 N 2.23 0.00 -3.84 2.44 3.04 -1.94 -3.46 116.42 114.88 2xaq h ASP 518 Ca -0.50 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 52.67 2xaq h ASP 518 Cb 1.27 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.35 2xaq h ASP 518 CO 0.61 0.84 -0.84 0.68 -2.04 0.00 0.00 179.24 178.49 2xaq s VAL 519 N -2.79 2.04 -0.10 4.15 -7.23 -1.26 -4.95 120.40 110.26 2xaq s VAL 519 Ca 0.02 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 2xaq s VAL 519 Cb 0.09 -1.85 -0.25 0.00 0.56 0.00 0.00 36.38 34.93 2xaq s VAL 519 CO 0.80 -0.04 0.90 0.22 -0.31 0.00 0.00 175.10 176.66 2xaq h TYR 520 N 3.76 0.08 -2.79 2.82 3.20 -1.91 -3.47 116.97 118.66 2xaq h TYR 520 Ca -0.48 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.15 2xaq h TYR 520 Cb 1.18 -0.01 -0.32 0.00 1.54 0.00 0.00 36.73 39.13 2xaq h TYR 520 CO 0.63 0.93 -0.50 -0.51 -1.64 0.00 0.00 178.16 177.07 2xaq s LEU 521 N -8.40 -0.36 1.18 2.82 1.43 -1.26 -5.06 118.68 109.03 2xaq s LEU 521 Ca -0.18 0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 2xaq s LEU 521 Cb -0.01 0.81 0.29 0.00 0.03 0.00 0.00 46.19 47.31 2xaq s LEU 521 CO 0.71 -0.24 1.02 -0.94 0.23 0.00 0.00 176.35 177.13 2xaq s SER 522 N 2.45 0.84 0.17 2.29 1.04 -1.26 -4.63 113.70 114.61 2xaq s SER 522 Ca 0.01 1.47 0.26 0.00 0.48 0.00 0.00 55.95 58.17 2xaq s SER 522 Cb -0.12 -2.28 0.90 0.00 0.10 0.00 0.00 66.02 64.63 2xaq s SER 522 CO -0.09 -4.28 1.79 -1.20 0.98 0.00 0.00 173.24 170.44 2xaq n SER 523 N -4.97 0.63 -0.00 7.02 7.64 -1.26 -1.72 113.62 120.96 2xaq n SER 523 Ca 0.03 0.57 -0.00 0.00 1.01 0.00 0.00 58.87 60.47 2xaq n SER 523 Cb 0.54 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2xaq n SER 523 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2xaq h ARG 524 N 0.00 -0.02 0.00 1.43 2.43 -1.99 -3.36 114.38 112.87 2xaq h ARG 524 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2xaq h ARG 524 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2xaq h ARG 524 CO 0.00 -0.01 0.00 -0.25 -1.51 0.00 0.00 179.97 178.20 2xaq n ASP 525 N -2.68 0.00 0.00 -3.80 8.00 -1.22 -1.13 116.55 115.72 2xaq n ASP 525 Ca -0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2xaq n ASP 525 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2xaq n ASP 525 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2xaq n ARG 526 N -0.14 0.00 -0.01 -1.24 3.00 -0.70 0.25 116.66 117.81 2xaq n ARG 526 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2xaq n ARG 526 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 32.46 31.60 2xaq n ARG 526 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2xaq n GLN 527 N -0.19 3.46 0.25 -0.14 7.27 -0.28 -3.97 117.38 123.79 2xaq n GLN 527 Ca 0.00 -0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 2xaq n GLN 527 Cb 0.00 -1.06 -0.05 0.00 2.41 0.00 0.00 30.24 31.54 2xaq n GLN 527 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2xaq h ILE 528 N 0.00 0.00 -1.20 1.69 2.04 0.35 -3.02 117.51 117.38 2xaq h ILE 528 Ca -0.06 -0.26 0.35 0.00 1.00 0.00 0.00 64.86 65.89 2xaq h ILE 528 Cb 1.14 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2xaq h ILE 528 CO 0.00 0.00 1.14 -0.11 0.00 0.00 0.00 178.15 179.18 2xaq n LEU 529 N -4.52 0.00 0.00 1.44 7.94 -0.97 0.57 117.00 121.46 2xaq n LEU 529 Ca -0.08 0.74 0.14 0.00 -1.11 0.00 0.00 56.01 55.69 2xaq n LEU 529 Cb 0.27 -0.30 0.67 0.00 0.53 0.00 0.00 43.42 44.59 2xaq n LEU 529 CO 0.20 -0.74 0.97 0.47 -1.11 0.00 0.00 177.39 177.18 2xaq n ASP 530 N -3.24 0.00 -0.09 1.96 9.92 -1.14 -2.00 116.55 121.96 2xaq n ASP 530 Ca 0.27 0.11 -0.23 0.00 -0.53 0.00 0.00 54.79 54.41 2xaq n ASP 530 Cb 1.50 -0.37 -0.12 0.00 -0.64 0.00 0.00 41.12 41.49 2xaq n ASP 530 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2xaq n TRP 531 N -1.37 0.81 -0.28 1.24 -0.00 2.33 -3.04 117.44 117.13 2xaq n TRP 531 Ca 0.11 0.29 0.10 0.00 -0.00 0.00 0.00 57.50 57.99 2xaq n TRP 531 Cb 0.26 -1.09 0.23 0.00 -0.00 0.00 0.00 31.31 30.72 2xaq n TRP 531 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2xaq h HIS 532 N -0.70 0.16 -0.97 5.87 3.86 -1.49 0.64 115.15 122.52 2xaq h HIS 532 Ca -0.45 0.05 0.10 0.00 -1.16 0.00 0.00 60.37 58.91 2xaq h HIS 532 Cb 1.56 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 30.02 2xaq h HIS 532 CO 0.05 -0.23 0.62 0.74 0.86 0.00 0.00 177.93 179.97 2xaq h PHE 533 N 0.16 1.10 0.00 2.45 0.04 -1.52 -2.22 116.94 116.95 2xaq h PHE 533 Ca 0.49 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.20 2xaq h PHE 533 Cb 0.95 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2xaq h PHE 533 CO -0.35 0.50 -0.43 0.00 -0.60 0.00 0.00 178.31 177.43 2xaq h ALA 534 N 1.52 0.92 -2.14 2.45 0.00 0.20 0.12 119.26 122.33 2xaq h ALA 534 Ca 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2xaq h ALA 534 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2xaq h ALA 534 CO -0.21 0.54 0.00 -1.71 0.00 0.00 0.00 179.25 177.87 2xaq n ASN 535 N -3.50 0.00 -0.19 0.00 4.05 0.64 -2.21 115.26 114.05 2xaq n ASN 535 Ca 0.00 0.64 0.10 0.00 0.45 0.00 0.00 54.58 55.78 2xaq n ASN 535 Cb 0.56 -0.14 0.20 0.00 1.23 0.00 0.00 39.78 41.63 2xaq n ASN 535 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2xaq n LEU 536 N -1.02 -0.01 0.30 1.20 7.94 -0.92 0.32 117.00 124.80 2xaq n LEU 536 Ca 0.00 0.94 0.16 0.00 -1.11 0.00 0.00 56.01 55.99 2xaq n LEU 536 Cb 0.00 -0.37 0.94 0.00 0.53 0.00 0.00 43.42 44.52 2xaq n LEU 536 CO 0.00 -0.97 1.12 -0.33 -1.11 0.00 0.00 177.39 176.10 2xaq h GLU 537 N 0.00 0.00 0.02 1.96 4.39 -0.59 -1.98 114.58 118.38 2xaq h GLU 537 Ca 0.37 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.77 2xaq h GLU 537 Cb 0.81 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2xaq h GLU 537 CO -0.50 0.01 -1.60 0.34 -1.16 0.00 0.00 179.01 176.10 2xaq n PHE 538 N -3.76 0.90 -0.28 4.33 7.35 0.95 -0.60 117.46 126.35 2xaq n PHE 538 Ca -0.03 0.34 0.19 0.00 -0.76 0.00 0.00 57.45 57.19 2xaq n PHE 538 Cb 0.09 -1.10 0.35 0.00 0.35 0.00 0.00 39.48 39.18 2xaq n PHE 538 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2xaq n ALA 539 N -3.45 0.62 -0.72 3.13 0.00 -0.53 -1.03 120.51 118.52 2xaq n ALA 539 Ca -0.36 0.87 0.08 0.00 0.00 0.00 0.00 53.44 54.04 2xaq n ALA 539 Cb 0.78 -0.74 0.26 0.00 0.00 0.00 0.00 19.45 19.76 2xaq n ALA 539 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2xaq n ASN 540 N -5.05 3.98 -4.41 0.00 3.02 -0.76 -4.98 115.26 107.06 2xaq n ASN 540 Ca 0.25 -2.66 -0.36 0.00 -0.03 0.00 0.00 54.58 51.78 2xaq n ASN 540 Cb 0.83 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 2xaq n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xaq n ALA 541 N 0.14 -1.68 -3.65 5.41 0.00 -0.20 -4.75 120.51 115.78 2xaq n ALA 541 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2xaq n ALA 541 Cb 0.81 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2xaq n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2xaq s THR 542 N -3.92 0.00 -0.56 0.00 -1.32 0.23 0.12 115.64 110.19 2xaq s THR 542 Ca 0.34 0.00 -0.38 0.00 -1.21 0.00 0.00 61.69 60.45 2xaq s THR 542 Cb -0.20 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.61 2xaq s THR 542 CO 1.01 0.00 2.08 -2.65 -2.21 0.00 0.00 174.62 172.85 2xaq n PRO 543 N 1.20 0.00 0.00 7.08 -0.01 -1.26 -4.38 135.00 137.63 2xaq n PRO 543 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.42 2xaq n PRO 543 Cb 0.58 -1.37 0.00 0.00 -0.01 0.00 0.00 33.50 32.69 2xaq n PRO 543 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 2xaq n LEU 544 N 7.50 0.00 0.24 2.45 4.77 -1.26 0.18 117.00 130.88 2xaq n LEU 544 Ca 0.53 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 2xaq n LEU 544 Cb -0.02 -0.10 0.43 0.00 -2.33 0.00 0.00 43.42 41.39 2xaq n LEU 544 CO 0.82 -0.10 0.88 0.77 -1.33 0.00 0.00 177.39 178.42 2xaq h SER 545 N 0.00 0.00 0.00 -1.43 4.64 -1.93 1.67 113.55 116.50 2xaq h SER 545 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 2xaq h SER 545 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 2xaq h SER 545 CO 0.00 0.05 -2.08 0.35 -0.87 0.00 0.00 176.83 174.29 2xaq n THR 546 N -3.14 1.08 -1.74 2.95 -2.24 0.49 -4.67 114.28 107.01 2xaq n THR 546 Ca 0.02 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 2xaq n THR 546 Cb 0.43 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 2xaq n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2xaq s LEU 547 N -5.24 4.38 0.33 3.22 1.43 -1.23 -1.85 118.68 119.72 2xaq s LEU 547 Ca -0.10 2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.55 2xaq s LEU 547 Cb 0.05 -3.59 -0.12 0.00 0.03 0.00 0.00 46.19 42.55 2xaq s LEU 547 CO 0.62 -0.97 1.34 -0.24 0.23 0.00 0.00 176.35 177.33 2xaq n SER 548 N 4.34 2.90 -0.13 2.29 2.88 -0.02 -1.31 113.62 124.58 2xaq n SER 548 Ca 0.16 1.20 -0.10 0.00 -1.33 0.00 0.00 58.87 58.79 2xaq n SER 548 Cb 0.36 -1.49 0.03 0.00 -0.75 0.00 0.00 64.21 62.35 2xaq n SER 548 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2xaq h LEU 549 N 2.91 0.94 0.00 2.46 5.85 -1.74 -3.07 115.31 122.67 2xaq h LEU 549 Ca -0.46 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 57.85 2xaq h LEU 549 Cb 1.28 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2xaq h LEU 549 CO 0.65 1.14 -0.15 0.50 -0.34 0.00 0.00 178.44 180.24 2xaq h LYS 550 N 0.78 0.10 -0.92 1.25 3.64 -1.90 -3.39 116.57 116.13 2xaq h LYS 550 Ca 0.09 -0.11 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 2xaq h LYS 550 Cb 0.82 0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 32.28 2xaq h LYS 550 CO 0.07 0.88 -0.34 0.72 -2.27 0.00 0.00 179.45 178.52 2xaq n HIS 551 N -4.58 2.94 0.03 1.91 8.25 -1.24 -4.63 115.22 117.90 2xaq n HIS 551 Ca -0.10 -2.50 -0.22 0.00 -0.26 0.00 0.00 57.72 54.64 2xaq n HIS 551 Cb 0.47 -0.62 -0.14 0.00 1.12 0.00 0.00 29.99 30.82 2xaq n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2xaq h TRP 552 N 2.20 0.57 -0.90 4.41 5.08 -1.73 -3.29 115.95 122.29 2xaq h TRP 552 Ca 0.43 -0.41 -0.53 0.00 1.08 0.00 0.00 58.89 59.45 2xaq h TRP 552 Cb 1.25 -0.02 -0.28 0.00 -3.00 0.00 0.00 29.16 27.11 2xaq h TRP 552 CO 1.00 1.73 0.54 -0.40 -1.28 0.00 0.00 178.44 180.03 2xaq n ASP 553 N -3.52 5.10 -0.34 0.11 5.75 -1.26 -4.70 116.55 117.69 2xaq n ASP 553 Ca -0.29 -3.71 0.19 0.00 -0.01 0.00 0.00 54.79 50.97 2xaq n ASP 553 Cb 1.06 -0.83 0.41 0.00 -1.03 0.00 0.00 41.12 40.72 2xaq n ASP 553 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2xaq h GLN 554 N 1.44 0.47 -1.30 0.11 -0.00 -1.84 -2.04 115.11 111.95 2xaq h GLN 554 Ca 0.55 -0.03 -0.46 0.00 -0.00 0.00 0.00 58.65 58.72 2xaq h GLN 554 Cb 1.87 -0.11 -0.20 0.00 -0.00 0.00 0.00 27.48 29.05 2xaq h GLN 554 CO 1.17 0.31 0.59 -0.40 -0.00 0.00 0.00 178.83 180.50 2xaq n ASP 555 N -4.95 6.79 -0.50 0.06 5.75 -1.26 -4.70 116.55 117.74 2xaq n ASP 555 Ca 0.28 -3.34 0.04 0.00 -0.01 0.00 0.00 54.79 51.76 2xaq n ASP 555 Cb 0.81 -1.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.00 2xaq n ASP 555 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2xaq n ASP 556 N -0.17 1.43 -0.01 -1.12 2.03 -0.77 -3.29 116.55 114.66 2xaq n ASP 556 Ca 0.43 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.72 2xaq n ASP 556 Cb 0.64 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 2xaq n ASP 556 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2xaq n ASP 557 N 0.25 4.21 -1.84 1.67 9.92 -1.26 -4.58 116.55 124.92 2xaq n ASP 557 Ca 0.09 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 2xaq n ASP 557 Cb 0.23 0.87 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 2xaq n ASP 557 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2xaq n PHE 558 N -1.87 0.98 -3.38 1.24 3.72 -1.21 -4.88 117.46 112.07 2xaq n PHE 558 Ca -0.03 -1.64 -0.38 0.00 -0.05 0.00 0.00 57.45 55.35 2xaq n PHE 558 Cb 0.35 -0.90 -0.07 0.00 -0.94 0.00 0.00 39.48 37.92 2xaq n PHE 558 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2xaq s GLU 559 N -1.08 4.25 0.00 -1.08 2.12 -1.26 -4.98 118.70 116.67 2xaq s GLU 559 Ca 0.26 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2xaq s GLU 559 Cb 0.19 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2xaq s GLU 559 CO -0.02 0.07 0.00 1.19 -0.54 0.00 0.00 175.26 175.95 2xaq n PHE 560 N 4.08 -1.43 -4.19 5.30 3.72 -1.26 -5.03 117.46 118.65 2xaq n PHE 560 Ca -0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 2xaq n PHE 560 Cb 0.51 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.95 2xaq n PHE 560 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2xaq s THR 561 N -0.48 0.83 0.05 4.37 -4.23 -1.02 -4.94 115.64 110.22 2xaq s THR 561 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2xaq s THR 561 Cb 0.00 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2xaq s THR 561 CO 0.00 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 2xaq n GLY 562 N 0.06 -2.21 3.76 3.99 0.00 -1.26 -1.74 105.19 107.80 2xaq n GLY 562 Ca -0.13 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2xaq n GLY 562 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xaq s SER 563 N -2.80 6.75 0.92 1.61 0.01 -1.26 -4.13 113.70 114.80 2xaq s SER 563 Ca 0.00 2.67 -0.12 0.00 1.31 0.00 0.00 55.95 59.82 2xaq s SER 563 Cb 0.00 -2.64 0.14 0.00 0.21 0.00 0.00 66.02 63.73 2xaq s SER 563 CO 0.00 -0.58 1.09 -1.00 0.41 0.00 0.00 173.24 173.17 2xaq s HIS 564 N -0.82 2.26 0.27 2.43 0.09 -1.26 -3.48 115.29 114.79 2xaq s HIS 564 Ca 0.52 1.18 -0.09 0.00 -0.00 0.00 0.00 55.06 56.66 2xaq s HIS 564 Cb -0.40 -3.19 -0.00 0.00 -0.00 0.00 0.00 32.58 28.98 2xaq s HIS 564 CO 0.50 -2.53 0.46 -0.51 -0.00 0.00 0.00 174.74 172.66 2xaq s LEU 565 N -6.28 0.55 0.11 0.89 1.02 -0.54 -3.20 118.68 111.23 2xaq s LEU 565 Ca 0.64 -1.12 0.04 0.00 0.02 0.00 0.00 54.13 53.72 2xaq s LEU 565 Cb -0.18 1.61 -0.04 0.00 0.02 0.00 0.00 46.19 47.60 2xaq s LEU 565 CO 0.57 -1.17 -0.11 0.42 0.02 0.00 0.00 176.35 176.08 2xaq s THR 566 N -3.73 1.07 -0.81 5.49 -4.23 0.02 -1.32 115.64 112.13 2xaq s THR 566 Ca 0.26 -1.70 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 2xaq s THR 566 Cb -0.00 -1.45 0.21 0.00 1.34 0.00 0.00 72.50 72.60 2xaq s THR 566 CO 0.12 -0.54 0.73 -0.69 -0.54 0.00 0.00 174.62 173.70 2xaq s VAL 567 N -2.44 5.21 0.56 2.29 1.01 -1.25 -2.30 120.40 123.48 2xaq s VAL 567 Ca 0.07 -2.70 0.25 0.00 0.00 0.00 0.00 61.98 59.60 2xaq s VAL 567 Cb -0.03 -4.24 0.34 0.00 0.00 0.00 0.00 36.38 32.46 2xaq s VAL 567 CO 0.01 -1.01 2.13 -0.09 0.00 0.00 0.00 175.10 176.14 2xaq h ARG 568 N 7.47 0.00 -0.29 2.72 2.43 -1.23 0.40 114.38 125.87 2xaq h ARG 568 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2xaq h ARG 568 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2xaq h ARG 568 CO 0.76 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.49 2xaq n ASN 569 N -4.10 3.15 -0.52 -3.80 6.94 -1.26 -4.75 115.26 110.92 2xaq n ASN 569 Ca 0.01 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 2xaq n ASN 569 Cb 0.26 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 2xaq n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xaq n GLY 570 N 1.44 -1.07 0.00 4.83 0.00 0.14 -4.75 105.19 105.77 2xaq n GLY 570 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2xaq n GLY 570 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2xaq n TYR 571 N 0.15 0.00 -0.39 1.61 4.19 -1.26 -1.01 117.16 120.45 2xaq n TYR 571 Ca 0.00 0.00 0.33 0.00 3.31 0.00 0.00 57.90 61.54 2xaq n TYR 571 Cb 0.00 -0.27 0.65 0.00 0.49 0.00 0.00 39.34 40.21 2xaq n TYR 571 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2xaq h SER 572 N 0.00 0.21 -0.92 2.98 4.64 -1.85 0.28 113.55 118.89 2xaq h SER 572 Ca 0.00 0.06 0.26 0.00 -0.47 0.00 0.00 61.79 61.65 2xaq h SER 572 Cb 0.00 0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 61.97 2xaq h SER 572 CO 0.00 -0.02 0.20 0.00 -0.87 0.00 0.00 176.83 176.14 2xaq h VAL 574 N 0.12 0.00 -1.35 0.00 2.07 -0.71 0.12 116.25 116.50 2xaq h VAL 574 Ca 0.59 -0.13 0.42 0.00 0.82 0.00 0.00 66.70 68.40 2xaq h VAL 574 Cb 1.25 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 2xaq h VAL 574 CO -0.75 0.00 0.90 -0.65 0.02 0.00 0.00 177.57 177.09 2xaq h PRO 575 N -0.97 0.10 0.00 1.57 0.11 -1.57 -1.37 132.00 129.87 2xaq h PRO 575 Ca -0.09 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.80 2xaq h PRO 575 Cb 0.64 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 2xaq h PRO 575 CO 0.14 0.07 -1.21 0.28 -0.21 0.00 0.00 178.00 177.07 2xaq h VAL 576 N 0.11 1.14 0.00 3.15 2.07 -0.64 -0.66 116.25 121.41 2xaq h VAL 576 Ca 0.78 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2xaq h VAL 576 Cb 2.56 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 34.86 2xaq h VAL 576 CO -0.32 0.65 0.00 0.00 0.02 0.00 0.00 177.57 177.92 2xaq n ALA 577 N -2.40 -0.23 -0.26 1.67 0.00 0.38 -3.09 120.51 116.58 2xaq n ALA 577 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2xaq n ALA 577 Cb 0.93 0.19 0.11 0.00 0.00 0.00 0.00 19.45 20.68 2xaq n ALA 577 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2xaq h LEU 578 N 0.00 -0.60 0.00 0.00 3.38 -1.35 -1.77 115.31 114.96 2xaq h LEU 578 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2xaq h LEU 578 Cb 0.00 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2xaq h LEU 578 CO 0.00 -0.23 0.52 0.00 0.09 0.00 0.00 178.44 178.82 2xaq n ALA 579 N -3.16 0.00 -2.68 1.53 0.00 -0.26 -4.67 120.51 111.27 2xaq n ALA 579 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 2xaq n ALA 579 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2xaq n ALA 579 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2xaq s GLU 580 N -2.38 4.13 -0.37 0.00 2.12 -0.67 -4.08 118.70 117.45 2xaq s GLU 580 Ca 0.00 -0.08 -0.10 0.00 0.36 0.00 0.00 54.97 55.14 2xaq s GLU 580 Cb 0.00 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2xaq s GLU 580 CO 0.00 0.07 0.48 0.41 -0.54 0.00 0.00 175.26 175.68 2xaq n GLY 581 N 4.01 -1.15 3.45 -1.50 0.00 -1.26 -5.07 105.19 103.67 2xaq n GLY 581 Ca -0.13 0.86 0.01 0.00 0.00 0.00 0.00 46.02 46.76 2xaq n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xaq s LEU 582 N -2.46 -0.40 -0.61 0.99 1.43 -1.26 -5.06 118.68 111.31 2xaq s LEU 582 Ca 0.16 0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 53.57 2xaq s LEU 582 Cb -0.05 1.50 0.04 0.00 0.03 0.00 0.00 46.19 47.71 2xaq s LEU 582 CO 0.60 -0.08 1.13 -0.62 0.23 0.00 0.00 176.35 177.61 2xaq s ASP 583 N 1.92 6.34 -0.29 2.29 2.15 -1.26 -4.97 116.67 122.86 2xaq s ASP 583 Ca -0.04 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 52.78 2xaq s ASP 583 Cb -0.04 -2.52 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 2xaq s ASP 583 CO -0.16 -1.49 -0.02 -0.63 -0.17 0.00 0.00 175.17 172.70 2xaq s ILE 584 N 4.81 2.04 -0.25 4.11 1.01 -1.26 -1.86 121.20 129.79 2xaq s ILE 584 Ca 0.37 -1.85 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 2xaq s ILE 584 Cb -0.09 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 2xaq s ILE 584 CO 0.21 -0.31 1.40 -0.54 0.00 0.00 0.00 174.94 175.69 2xaq s LYS 585 N 1.10 3.93 0.09 2.79 -0.14 -0.52 -5.00 119.74 122.00 2xaq s LYS 585 Ca 0.01 1.45 0.03 0.00 -1.36 0.00 0.00 55.97 56.09 2xaq s LYS 585 Cb -0.19 -3.91 -0.04 0.00 -1.68 0.00 0.00 37.83 32.00 2xaq s LYS 585 CO -0.08 -1.11 0.10 -0.51 -0.76 0.00 0.00 175.35 172.99 2xaq s LEU 586 N 4.50 3.86 -1.23 3.17 1.43 -1.26 -1.99 118.68 127.16 2xaq s LEU 586 Ca 0.61 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 2xaq s LEU 586 Cb -0.20 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.50 2xaq s LEU 586 CO 0.24 0.15 1.06 0.59 0.23 0.00 0.00 176.35 178.62 2xaq n ASN 587 N 0.29 -4.44 -3.85 2.29 3.02 0.24 -4.94 115.26 107.87 2xaq n ASN 587 Ca -0.08 -0.55 -0.28 0.00 -0.03 0.00 0.00 54.58 53.64 2xaq n ASN 587 Cb 0.52 -4.86 -0.16 0.00 -0.61 0.00 0.00 39.78 34.67 2xaq n ASN 587 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2xaq s THR 588 N -3.32 0.97 -0.24 3.41 2.01 0.19 -2.77 115.64 115.89 2xaq s THR 588 Ca 0.32 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 2xaq s THR 588 Cb -0.14 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2xaq s THR 588 CO 0.70 0.02 0.02 0.00 -0.69 0.00 0.00 174.62 174.66 2xaq s ALA 589 N 1.68 2.98 0.02 7.40 0.00 0.48 -2.15 121.76 132.17 2xaq s ALA 589 Ca -0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 2xaq s ALA 589 Cb -0.16 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2xaq s ALA 589 CO -0.07 -0.53 1.20 0.08 0.00 0.00 0.00 175.76 176.44 2xaq s VAL 590 N 1.53 4.13 -0.09 0.00 1.01 -1.26 -0.63 120.40 125.09 2xaq s VAL 590 Ca 0.05 1.50 -0.10 0.00 0.00 0.00 0.00 61.98 63.43 2xaq s VAL 590 Cb -0.15 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2xaq s VAL 590 CO 0.00 0.07 -0.20 0.54 0.00 0.00 0.00 175.10 175.51 2xaq n ARG 591 N 4.43 0.31 -3.91 2.72 5.12 0.31 -4.53 116.66 121.10 2xaq n ARG 591 Ca 0.10 0.12 -0.37 0.00 -1.93 0.00 0.00 57.85 55.77 2xaq n ARG 591 Cb 0.46 -1.01 -0.07 0.00 -1.16 0.00 0.00 32.46 30.69 2xaq n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2xaq s GLN 592 N -2.27 3.50 -0.34 5.56 0.74 -1.00 -0.68 119.66 125.17 2xaq s GLN 592 Ca -0.17 -0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 2xaq s GLN 592 Cb 0.02 -3.18 0.08 0.00 1.10 0.00 0.00 33.01 31.03 2xaq s GLN 592 CO 0.25 0.70 0.06 0.08 -0.55 0.00 0.00 175.29 175.83 2xaq s VAL 593 N -0.82 2.80 -0.27 1.34 1.01 -0.19 -0.75 120.40 123.52 2xaq s VAL 593 Ca 0.14 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 2xaq s VAL 593 Cb -0.12 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2xaq s VAL 593 CO 0.03 -0.39 0.22 -0.13 0.00 0.00 0.00 175.10 174.83 2xaq s ARG 594 N 1.11 3.99 -0.14 2.72 0.52 0.08 -1.44 118.95 125.79 2xaq s ARG 594 Ca 0.02 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2xaq s ARG 594 Cb -0.21 -3.63 0.02 0.00 0.52 0.00 0.00 34.95 31.65 2xaq s ARG 594 CO -0.04 -0.15 -0.15 1.52 0.02 0.00 0.00 175.30 176.50 2xaq s TYR 595 N 1.68 2.13 0.10 -0.53 1.13 -0.85 0.16 117.35 121.17 2xaq s TYR 595 Ca 0.09 -1.14 0.00 0.00 -1.41 0.00 0.00 57.07 54.61 2xaq s TYR 595 Cb -0.15 -1.55 -0.00 0.00 -1.10 0.00 0.00 41.96 39.15 2xaq s TYR 595 CO 0.10 -0.62 0.01 0.25 -2.51 0.00 0.00 175.55 172.77 2xaq n THR 596 N 4.61 0.00 0.12 -3.49 -2.24 0.63 -4.38 114.28 109.53 2xaq n THR 596 Ca -0.17 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.09 2xaq n THR 596 Cb 0.50 0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 2xaq n THR 596 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xaq h ALA 597 N 1.07 0.74 -0.68 6.98 0.00 -1.92 -2.53 119.26 122.91 2xaq h ALA 597 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2xaq h ALA 597 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2xaq h ALA 597 CO 0.14 0.88 0.00 -1.13 0.00 0.00 0.00 179.25 179.14 2xaq n SER 598 N -3.57 4.44 0.00 0.00 3.41 -1.26 -4.80 113.62 111.85 2xaq n SER 598 Ca -0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 2xaq n SER 598 Cb 0.72 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2xaq n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xaq n GLY 599 N 1.33 3.11 3.89 5.00 0.00 -0.95 -5.04 105.19 112.52 2xaq n GLY 599 Ca 0.25 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 2xaq n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaq s GLU 601 N -1.36 2.67 -0.21 0.00 -1.05 0.12 -1.37 118.70 117.50 2xaq s GLU 601 Ca 0.20 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.23 2xaq s GLU 601 Cb -0.12 -2.36 -0.00 0.00 -0.44 0.00 0.00 34.13 31.21 2xaq s GLU 601 CO 0.09 0.48 -0.08 0.08 0.95 0.00 0.00 175.26 176.78 2xaq s VAL 602 N -0.37 3.05 -0.15 1.83 1.01 0.86 -0.75 120.40 125.89 2xaq s VAL 602 Ca 0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2xaq s VAL 602 Cb -0.12 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2xaq s VAL 602 CO 0.02 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.13 2xaq s ILE 603 N 1.38 5.40 0.08 2.22 1.01 0.07 -1.32 121.20 130.04 2xaq s ILE 603 Ca 0.05 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.02 2xaq s ILE 603 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2xaq s ILE 603 CO -0.05 0.50 -0.05 0.00 0.00 0.00 0.00 174.94 175.34 2xaq s ALA 604 N -0.20 0.84 0.35 9.38 0.00 -0.33 0.11 121.76 131.91 2xaq s ALA 604 Ca 0.13 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.86 2xaq s ALA 604 Cb -0.12 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 2xaq s ALA 604 CO 0.02 -0.28 -0.05 0.14 0.00 0.00 0.00 175.76 175.60 2xaq s VAL 605 N -3.72 1.98 -0.30 0.00 -7.23 0.20 -0.37 120.40 110.96 2xaq s VAL 605 Ca 0.10 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 2xaq s VAL 605 Cb 0.06 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.29 2xaq s VAL 605 CO -0.06 -0.15 1.11 0.21 -0.31 0.00 0.00 175.10 175.90 2xaq s ASN 606 N -3.60 6.92 0.58 4.85 2.47 -0.74 -0.39 114.94 125.04 2xaq s ASN 606 Ca 0.33 1.14 0.27 0.00 0.42 0.00 0.00 52.86 55.02 2xaq s ASN 606 Cb 0.05 -2.54 1.64 0.00 -1.45 0.00 0.00 41.25 38.95 2xaq s ASN 606 CO 0.16 -0.87 2.15 0.71 -3.72 0.00 0.00 177.10 175.52 2xaq h THR 607 N 5.71 0.57 0.00 -5.21 1.35 -1.83 -2.46 112.91 111.04 2xaq h THR 607 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2xaq h THR 607 Cb 1.07 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2xaq h THR 607 CO 1.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.83 2xaq n ARG 608 N -3.95 0.00 -3.22 4.72 1.74 -1.26 -4.50 116.66 110.18 2xaq n ARG 608 Ca 0.00 0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 57.09 2xaq n ARG 608 Cb 0.24 -1.00 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 2xaq n ARG 608 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2xaq s SER 609 N -2.67 6.22 0.00 0.55 0.15 -1.21 -4.95 113.70 111.79 2xaq s SER 609 Ca 0.00 -0.82 0.27 0.00 0.70 0.00 0.00 55.95 56.10 2xaq s SER 609 Cb 0.00 -2.26 0.99 0.00 -1.71 0.00 0.00 66.02 63.03 2xaq s SER 609 CO 0.00 -0.76 1.71 0.35 1.20 0.00 0.00 173.24 175.73 2xaq n THR 610 N 5.55 0.02 0.65 6.45 -2.24 -0.93 -3.28 114.28 120.50 2xaq n THR 610 Ca -0.07 -0.27 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 2xaq n THR 610 Cb 0.46 0.53 0.14 0.00 -2.10 0.00 0.00 70.33 69.35 2xaq n THR 610 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2xaq n SER 611 N 0.24 2.20 -3.97 3.42 3.41 -1.26 -4.77 113.62 112.89 2xaq n SER 611 Ca 0.19 -2.20 -0.31 0.00 -0.26 0.00 0.00 58.87 56.29 2xaq n SER 611 Cb 0.36 -0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 2xaq n SER 611 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2xaq s GLN 612 N -1.64 1.77 -0.03 4.33 -0.44 -1.21 -5.08 119.66 117.36 2xaq s GLN 612 Ca 0.19 -1.08 0.03 0.00 -2.50 0.00 0.00 55.36 52.01 2xaq s GLN 612 Cb 0.13 -2.66 -0.03 0.00 -1.64 0.00 0.00 33.01 28.81 2xaq s GLN 612 CO 0.08 -0.59 -0.11 0.99 0.50 0.00 0.00 175.29 176.16 2xaq s THR 613 N 1.32 3.31 -0.03 -0.34 2.01 -1.26 -1.78 115.64 118.87 2xaq s THR 613 Ca -0.07 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.23 2xaq s THR 613 Cb -0.19 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2xaq s THR 613 CO -0.06 0.50 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.82 2xaq s PHE 614 N -0.85 1.84 -0.08 4.92 2.99 0.50 -5.01 117.98 122.29 2xaq s PHE 614 Ca 0.14 -0.44 0.03 0.00 0.00 0.00 0.00 56.93 56.66 2xaq s PHE 614 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 43.02 41.69 2xaq s PHE 614 CO 0.03 -0.10 -0.17 0.42 -0.00 0.00 0.00 175.22 175.40 2xaq s ILE 615 N -0.26 2.75 -0.11 0.64 -1.09 -1.26 -1.19 121.20 120.69 2xaq s ILE 615 Ca 0.02 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2xaq s ILE 615 Cb -0.10 -2.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 2xaq s ILE 615 CO 0.01 0.57 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.80 2xaq s TYR 616 N -0.25 2.10 -0.10 3.97 1.51 -0.44 -4.97 117.35 119.18 2xaq s TYR 616 Ca 0.00 -0.96 -0.13 0.00 -1.01 0.00 0.00 57.07 54.97 2xaq s TYR 616 Cb -0.13 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2xaq s TYR 616 CO 0.03 -0.46 0.32 0.15 -1.11 0.00 0.00 175.55 174.47 2xaq s LYS 617 N 0.83 4.02 0.35 -0.62 -0.14 -1.26 -0.10 119.74 122.81 2xaq s LYS 617 Ca -0.09 0.19 -0.15 0.00 -1.36 0.00 0.00 55.97 54.55 2xaq s LYS 617 Cb -0.16 -3.32 0.04 0.00 -1.68 0.00 0.00 37.83 32.71 2xaq s LYS 617 CO 0.01 0.47 0.72 0.00 -0.76 0.00 0.00 175.35 175.79 2xaq n ASP 619 N -1.16 1.10 -4.18 0.00 8.00 -0.05 -1.49 116.55 118.76 2xaq n ASP 619 Ca -0.06 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 2xaq n ASP 619 Cb 0.60 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 2xaq n ASP 619 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xaq s ALA 620 N -2.56 1.02 -0.07 2.24 0.00 -1.18 -4.42 121.76 116.79 2xaq s ALA 620 Ca -0.12 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 2xaq s ALA 620 Cb 0.07 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.04 2xaq s ALA 620 CO 0.79 -0.45 0.15 0.08 0.00 0.00 0.00 175.76 176.33 2xaq s VAL 621 N -3.94 -0.18 -0.15 0.00 1.01 -1.01 -2.23 120.40 113.90 2xaq s VAL 621 Ca 0.25 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2xaq s VAL 621 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 2xaq s VAL 621 CO 0.03 0.12 -0.14 -0.22 0.00 0.00 0.00 175.10 174.89 2xaq s LEU 622 N 1.87 2.56 -0.15 3.92 2.96 -0.20 -0.52 118.68 129.12 2xaq s LEU 622 Ca -0.01 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2xaq s LEU 622 Cb -0.12 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2xaq s LEU 622 CO -0.06 0.11 -0.19 0.00 -1.32 0.00 0.00 176.35 174.89 2xaq n THR 624 N 4.07 0.00 -0.44 0.00 -2.24 -0.72 -1.25 114.28 113.69 2xaq n THR 624 Ca -0.20 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 2xaq n THR 624 Cb 0.52 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2xaq n THR 624 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2xaq n LEU 625 N -1.40 0.18 -4.91 3.22 4.77 -1.23 -4.70 117.00 112.93 2xaq n LEU 625 Ca 0.01 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.02 2xaq n LEU 625 Cb 0.17 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2xaq n LEU 625 CO 0.19 -0.35 0.77 -2.84 -1.33 0.00 0.00 177.39 173.83 2xaq s PRO 626 N 0.45 1.91 0.00 3.23 0.02 -1.26 -4.77 135.00 134.58 2xaq s PRO 626 Ca 0.27 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.30 2xaq s PRO 626 Cb -0.38 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2xaq s PRO 626 CO 0.19 -1.60 0.59 -0.11 -0.33 0.00 0.00 177.00 175.74 2xaq n LEU 627 N -3.29 0.00 0.00 -5.54 7.94 -1.26 -0.99 117.00 113.86 2xaq n LEU 627 Ca 0.09 0.59 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 2xaq n LEU 627 Cb 0.61 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2xaq n LEU 627 CO 0.55 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 2xaq n GLY 628 N -0.91 0.00 0.36 -3.96 0.00 -1.26 0.29 105.19 99.71 2xaq n GLY 628 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2xaq n GLY 628 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xaq h VAL 629 N 0.00 1.22 0.48 1.61 2.07 -1.28 -0.16 116.25 120.19 2xaq h VAL 629 Ca 0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2xaq h VAL 629 Cb 0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2xaq h VAL 629 CO 0.00 0.23 -0.34 -0.07 0.02 0.00 0.00 177.57 177.41 2xaq h LEU 630 N 1.13 -0.87 -0.79 2.57 3.38 0.48 -2.42 115.31 118.79 2xaq h LEU 630 Ca 0.30 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.51 2xaq h LEU 630 Cb -0.08 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 2xaq h LEU 630 CO -0.06 -0.51 -0.05 0.11 0.09 0.00 0.00 178.44 178.02 2xaq h LYS 631 N -0.79 0.06 -2.95 1.13 1.57 -0.52 -3.46 116.57 111.60 2xaq h LYS 631 Ca -0.05 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 2xaq h LYS 631 Cb 0.67 -0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.01 2xaq h LYS 631 CO 0.02 0.04 -0.16 1.04 -0.57 0.00 0.00 179.45 179.83 2xaq n GLN 632 N -5.42 0.00 -3.19 3.15 6.02 -0.11 -4.89 117.38 112.94 2xaq n GLN 632 Ca 0.14 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2xaq n GLN 632 Cb 0.49 -0.58 -0.02 0.00 1.02 0.00 0.00 30.24 31.15 2xaq n GLN 632 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2xaq s GLN 633 N -0.31 0.52 0.95 -1.09 2.00 -1.26 -3.11 119.66 117.36 2xaq s GLN 633 Ca 0.36 0.51 -0.11 0.00 -2.00 0.00 0.00 55.36 54.13 2xaq s GLN 633 Cb -0.52 0.14 0.13 0.00 0.80 0.00 0.00 33.01 33.57 2xaq s GLN 633 CO 0.28 -0.98 0.94 -0.35 -0.50 0.00 0.00 175.29 174.68 2xaq n PRO 634 N 5.40 -0.60 -3.35 1.67 -0.04 -1.26 -5.10 135.00 131.73 2xaq n PRO 634 Ca 0.03 -0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 2xaq n PRO 634 Cb 0.52 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 2xaq n PRO 634 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2xaq s PRO 635 N -4.36 3.86 -0.03 0.54 0.04 -1.18 -4.97 135.00 128.89 2xaq s PRO 635 Ca 0.65 0.38 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 2xaq s PRO 635 Cb -0.23 -2.61 -0.13 0.00 0.04 0.00 0.00 34.50 31.58 2xaq s PRO 635 CO 0.61 0.28 0.88 0.00 0.04 0.00 0.00 177.00 178.81 2xaq h ALA 636 N 2.51 -0.42 -2.43 8.56 0.00 -1.81 -3.42 119.26 122.25 2xaq h ALA 636 Ca -0.47 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2xaq h ALA 636 Cb 1.17 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2xaq h ALA 636 CO 0.68 -0.46 0.29 0.08 0.00 0.00 0.00 179.25 179.84 2xaq s VAL 637 N -3.72 4.93 -0.29 0.00 1.01 -1.26 -4.80 120.40 116.27 2xaq s VAL 637 Ca -0.11 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.07 2xaq s VAL 637 Cb 0.01 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2xaq s VAL 637 CO 0.40 0.03 0.63 -1.58 0.00 0.00 0.00 175.10 174.58 2xaq s GLN 638 N 2.29 3.96 0.26 2.72 0.74 0.15 -4.98 119.66 124.79 2xaq s GLN 638 Ca 0.33 0.37 -0.28 0.00 0.05 0.00 0.00 55.36 55.83 2xaq s GLN 638 Cb -0.16 -3.71 -0.09 0.00 1.10 0.00 0.00 33.01 30.15 2xaq s GLN 638 CO 0.10 -0.53 0.92 -0.06 -0.55 0.00 0.00 175.29 175.17 2xaq s PHE 639 N 2.58 3.87 -0.28 1.67 0.08 -1.26 -1.03 117.98 123.62 2xaq s PHE 639 Ca 0.26 1.83 -0.03 0.00 0.12 0.00 0.00 56.93 59.11 2xaq s PHE 639 Cb -0.15 -2.93 0.09 0.00 -0.57 0.00 0.00 43.02 39.46 2xaq s PHE 639 CO 0.11 0.37 0.11 0.08 -0.10 0.00 0.00 175.22 175.79 2xaq s VAL 640 N -1.34 0.34 0.74 -0.44 1.01 -0.52 -2.75 120.40 117.44 2xaq s VAL 640 Ca 0.44 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2xaq s VAL 640 Cb -0.23 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2xaq s VAL 640 CO 0.28 -0.64 1.10 -2.16 0.00 0.00 0.00 175.10 173.69 2xaq s PRO 641 N 1.90 2.60 0.99 2.72 0.04 -1.26 -2.00 135.00 139.99 2xaq s PRO 641 Ca 0.08 0.48 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 2xaq s PRO 641 Cb -0.17 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 2xaq s PRO 641 CO -0.28 -1.22 -0.40 -2.30 0.04 0.00 0.00 177.00 172.83 2xaq n PRO 642 N -3.14 -0.25 -2.97 0.56 -0.02 -1.11 -4.89 135.00 123.18 2xaq n PRO 642 Ca 0.07 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 61.10 2xaq n PRO 642 Cb 0.57 -1.36 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 2xaq n PRO 642 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xaq s LEU 643 N 4.00 4.50 -0.15 2.45 1.43 -1.26 -4.96 118.68 124.69 2xaq s LEU 643 Ca 0.47 1.53 -0.28 0.00 -1.03 0.00 0.00 54.13 54.81 2xaq s LEU 643 Cb -0.15 -3.27 -0.13 0.00 0.03 0.00 0.00 46.19 42.67 2xaq s LEU 643 CO 0.74 0.08 0.86 -0.81 0.23 0.00 0.00 176.35 177.45 2xaq n PRO 644 N 2.39 0.00 -0.31 1.29 -0.04 -1.26 -4.66 135.00 132.41 2xaq n PRO 644 Ca -0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2xaq n PRO 644 Cb 0.50 -0.99 0.24 0.00 -0.04 0.00 0.00 33.50 33.21 2xaq n PRO 644 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2xaq h GLU 645 N 2.56 0.67 -0.93 0.54 -0.00 -1.99 -0.60 114.58 114.84 2xaq h GLU 645 Ca -0.31 -0.04 0.27 0.00 -0.00 0.00 0.00 59.36 59.27 2xaq h GLU 645 Cb 0.92 -0.15 -0.04 0.00 -0.00 0.00 0.00 28.75 29.48 2xaq h GLU 645 CO 0.52 0.44 0.93 0.11 -0.00 0.00 0.00 179.01 181.01 2xaq h TRP 646 N 0.69 0.00 0.00 2.06 5.08 -1.99 -0.29 115.95 121.50 2xaq h TRP 646 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 2xaq h TRP 646 Cb 0.66 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.82 2xaq h TRP 646 CO -0.07 0.00 -0.48 1.17 -1.28 0.00 0.00 178.44 177.78 2xaq n LYS 647 N -3.59 0.35 -0.37 0.12 3.00 -0.25 -3.69 118.16 113.73 2xaq n LYS 647 Ca 0.20 0.37 0.02 0.00 -0.00 0.00 0.00 58.31 58.90 2xaq n LYS 647 Cb 1.23 -1.38 0.09 0.00 0.00 0.00 0.00 35.03 34.97 2xaq n LYS 647 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2xaq n THR 648 N -3.99 -0.48 -0.46 3.15 -2.24 -1.06 0.20 114.28 109.41 2xaq n THR 648 Ca -0.07 2.31 0.38 0.00 -2.27 0.00 0.00 64.05 64.40 2xaq n THR 648 Cb 0.25 -3.12 0.69 0.00 -2.10 0.00 0.00 70.33 66.04 2xaq n THR 648 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2xaq h SER 649 N 0.00 0.18 0.59 3.42 0.02 -1.24 0.01 113.55 116.52 2xaq h SER 649 Ca 0.41 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 61.21 2xaq h SER 649 Cb 0.66 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 2xaq h SER 649 CO -1.01 -0.07 -1.57 0.00 -1.14 0.00 0.00 176.83 173.04 2xaq n ALA 650 N -2.65 1.73 0.36 3.77 0.00 0.54 -1.58 120.51 122.68 2xaq n ALA 650 Ca 0.35 -0.66 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 2xaq n ALA 650 Cb 1.44 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 2xaq n ALA 650 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2xaq h VAL 651 N 0.00 0.36 0.00 0.00 2.07 0.07 -2.90 116.25 115.85 2xaq h VAL 651 Ca -0.23 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2xaq h VAL 651 Cb 1.79 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2xaq h VAL 651 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2xaq n GLN 652 N -5.46 0.00 -0.18 1.57 6.02 -0.12 -2.95 117.38 116.25 2xaq n GLN 652 Ca -0.13 0.37 0.14 0.00 -0.01 0.00 0.00 57.00 57.36 2xaq n GLN 652 Cb 0.36 -1.05 0.21 0.00 1.02 0.00 0.00 30.24 30.78 2xaq n GLN 652 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xaq n ARG 653 N -0.99 0.00 -3.92 -1.09 1.74 -0.61 -4.59 116.66 107.20 2xaq n ARG 653 Ca 0.00 0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 2xaq n ARG 653 Cb 0.00 -0.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.74 2xaq n ARG 653 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2xaq s MET 654 N -3.47 3.41 -0.44 5.56 -1.94 -1.09 -4.56 119.30 116.76 2xaq s MET 654 Ca -0.01 -0.28 -0.28 0.00 -1.71 0.00 0.00 55.69 53.40 2xaq s MET 654 Cb 0.07 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.81 2xaq s MET 654 CO 0.23 0.70 1.49 0.20 -0.01 0.00 0.00 175.02 177.63 2xaq s GLY 655 N -1.66 0.97 -0.54 -0.03 0.00 -0.50 -4.86 107.32 100.70 2xaq s GLY 655 Ca 0.23 -0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 2xaq s GLY 655 CO 0.14 2.87 0.56 -0.12 0.00 0.00 0.00 173.10 176.56 2xaq s PHE 656 N 5.94 3.14 0.00 1.90 5.36 -1.26 0.26 117.98 133.31 2xaq s PHE 656 Ca 0.62 -0.99 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2xaq s PHE 656 Cb -0.14 -3.69 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 2xaq s PHE 656 CO 0.31 -1.06 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 2xaq n GLY 657 N 5.24 -0.20 3.58 13.12 0.00 -1.24 -4.84 105.19 120.85 2xaq n GLY 657 Ca -0.11 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2xaq n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xaq s ASN 658 N -1.00 -0.48 -0.27 1.61 3.84 0.33 -1.66 114.94 117.30 2xaq s ASN 658 Ca 0.00 0.66 -0.24 0.00 0.21 0.00 0.00 52.86 53.49 2xaq s ASN 658 Cb 0.00 0.57 0.08 0.00 -0.55 0.00 0.00 41.25 41.35 2xaq s ASN 658 CO 0.00 -0.35 0.74 -0.22 -2.79 0.00 0.00 177.10 174.48 2xaq s LEU 659 N -0.72 -0.75 0.17 3.21 2.96 -1.26 -3.96 118.68 118.33 2xaq s LEU 659 Ca -0.03 1.41 0.04 0.00 -0.22 0.00 0.00 54.13 55.34 2xaq s LEU 659 Cb -0.02 2.41 -0.05 0.00 0.50 0.00 0.00 46.19 49.04 2xaq s LEU 659 CO 0.02 -0.24 -0.07 0.20 -1.32 0.00 0.00 176.35 174.94 2xaq s ASN 660 N 0.55 1.79 0.00 3.68 0.01 -1.17 -4.62 114.94 115.18 2xaq s ASN 660 Ca -0.01 -1.08 0.07 0.00 -0.71 0.00 0.00 52.86 51.12 2xaq s ASN 660 Cb -0.05 -0.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.59 2xaq s ASN 660 CO -0.03 -0.40 -0.21 -0.54 -1.51 0.00 0.00 177.10 174.42 2xaq s LYS 661 N -3.79 1.62 -0.20 -0.60 1.02 -1.26 -1.53 119.74 115.00 2xaq s LYS 661 Ca 0.21 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.35 2xaq s LYS 661 Cb 0.04 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 2xaq s LYS 661 CO 0.03 0.43 -0.04 0.08 -0.92 0.00 0.00 175.35 174.93 2xaq s VAL 662 N -0.59 3.48 -0.35 3.17 1.01 1.03 -1.79 120.40 126.36 2xaq s VAL 662 Ca 0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2xaq s VAL 662 Cb -0.08 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2xaq s VAL 662 CO 0.00 0.44 0.22 -0.69 0.00 0.00 0.00 175.10 175.07 2xaq s VAL 663 N 1.19 4.96 -0.36 2.92 1.01 0.13 0.42 120.40 130.68 2xaq s VAL 663 Ca 0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2xaq s VAL 663 Cb -0.14 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.65 2xaq s VAL 663 CO -0.01 -0.08 0.16 -0.76 0.00 0.00 0.00 175.10 174.41 2xaq s LEU 664 N 1.65 4.56 -0.47 3.92 1.43 -0.68 -1.83 118.68 127.26 2xaq s LEU 664 Ca 0.05 -1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 51.89 2xaq s LEU 664 Cb -0.18 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.18 2xaq s LEU 664 CO 0.09 -0.37 0.37 0.00 0.23 0.00 0.00 176.35 176.67 2xaq n PHE 666 N 5.12 -1.55 0.27 0.00 3.72 -0.34 -0.13 117.46 124.55 2xaq n PHE 666 Ca -0.12 -1.14 0.07 0.00 -0.05 0.00 0.00 57.45 56.21 2xaq n PHE 666 Cb 0.43 -0.24 0.12 0.00 -0.94 0.00 0.00 39.48 38.85 2xaq n PHE 666 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2xaq n ASP 667 N -2.15 2.65 -3.64 4.37 5.75 -1.26 -4.62 116.55 117.66 2xaq n ASP 667 Ca 0.02 -1.78 -0.09 0.00 -0.01 0.00 0.00 54.79 52.93 2xaq n ASP 667 Cb 0.31 -0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 2xaq n ASP 667 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xaq s ARG 668 N -1.14 0.66 -0.84 0.11 1.70 -1.26 -5.01 118.95 113.16 2xaq s ARG 668 Ca 0.23 0.93 -0.22 0.00 -0.47 0.00 0.00 55.73 56.20 2xaq s ARG 668 Cb 0.14 0.24 -0.19 0.00 -0.57 0.00 0.00 34.95 34.58 2xaq s ARG 668 CO 0.20 -0.10 2.16 0.28 -1.08 0.00 0.00 175.30 176.75 2xaq n VAL 669 N 3.22 0.00 1.33 4.99 0.31 -1.26 -4.73 118.33 122.18 2xaq n VAL 669 Ca -0.16 -0.33 0.13 0.00 -0.01 0.00 0.00 64.34 63.97 2xaq n VAL 669 Cb 0.57 -1.57 0.39 0.00 -0.91 0.00 0.00 33.84 32.31 2xaq n VAL 669 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2xaq n PHE 670 N 16.33 0.00 -3.46 3.52 1.16 -1.26 -4.90 117.46 128.85 2xaq n PHE 670 Ca 0.43 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.80 2xaq n PHE 670 Cb 0.41 -0.03 -0.01 0.00 -1.61 0.00 0.00 39.48 38.25 2xaq n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2xaq s TRP 671 N -2.16 3.32 0.01 2.97 -2.14 -1.26 -5.02 118.94 114.66 2xaq s TRP 671 Ca 0.32 0.08 -0.32 0.00 2.66 0.00 0.00 56.10 58.84 2xaq s TRP 671 Cb 0.20 -1.94 -0.10 0.00 -3.10 0.00 0.00 33.47 28.53 2xaq s TRP 671 CO 0.39 0.06 1.91 -3.47 -2.66 0.00 0.00 176.95 173.18 2xaq n ASP 672 N -1.72 3.88 0.05 -2.66 -0.08 -1.26 -4.86 116.55 109.90 2xaq n ASP 672 Ca -0.03 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.31 2xaq n ASP 672 Cb 0.57 -1.47 0.14 0.00 2.34 0.00 0.00 41.12 42.70 2xaq n ASP 672 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2xaq n PRO 673 N 6.82 0.30 -0.08 -0.67 -0.04 -1.26 -3.44 135.00 136.62 2xaq n PRO 673 Ca 0.20 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2xaq n PRO 673 Cb 0.36 -1.67 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2xaq n PRO 673 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2xaq n SER 674 N -2.09 1.53 -3.85 3.54 3.41 -1.26 -4.67 113.62 110.23 2xaq n SER 674 Ca 0.03 -2.09 -0.25 0.00 -0.26 0.00 0.00 58.87 56.30 2xaq n SER 674 Cb 0.44 -0.52 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 2xaq n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2xaq s VAL 675 N -1.11 0.72 -0.06 -3.33 1.01 -1.22 -5.03 120.40 111.38 2xaq s VAL 675 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2xaq s VAL 675 Cb 0.04 -0.80 -0.27 0.00 0.00 0.00 0.00 36.38 35.34 2xaq s VAL 675 CO 0.01 0.32 0.62 0.78 0.00 0.00 0.00 175.10 176.83 2xaq h ASN 676 N 8.19 0.39 -3.95 3.32 4.21 -1.83 -3.41 115.58 122.49 2xaq h ASN 676 Ca -0.26 -0.68 -0.21 0.00 1.21 0.00 0.00 56.30 56.36 2xaq h ASN 676 Cb 1.13 -0.13 -0.26 0.00 -1.12 0.00 0.00 38.32 37.94 2xaq h ASN 676 CO 0.35 1.59 -0.67 -1.48 -1.29 0.00 0.00 177.43 175.93 2xaq s LEU 677 N -6.93 1.88 0.03 1.61 2.34 -1.26 0.29 118.68 116.64 2xaq s LEU 677 Ca -0.14 -0.00 0.01 0.00 0.06 0.00 0.00 54.13 54.05 2xaq s LEU 677 Cb 0.07 0.16 -0.02 0.00 -0.56 0.00 0.00 46.19 45.83 2xaq s LEU 677 CO 0.82 -0.06 -0.04 0.72 -1.06 0.00 0.00 176.35 176.72 2xaq s PHE 678 N -0.22 0.38 -0.03 3.48 -0.71 -0.91 -4.06 117.98 115.91 2xaq s PHE 678 Ca -0.03 -0.51 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 2xaq s PHE 678 Cb -0.02 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2xaq s PHE 678 CO -0.00 -0.15 -0.12 0.20 -1.34 0.00 0.00 175.22 173.80 2xaq s GLY 679 N -1.46 1.60 -0.24 1.99 0.00 0.85 -1.12 107.32 108.95 2xaq s GLY 679 Ca -0.14 -1.01 -0.15 0.00 0.00 0.00 0.00 44.72 43.43 2xaq s GLY 679 CO -0.01 -0.82 0.37 -1.58 0.00 0.00 0.00 173.10 171.07 2xaq s HIS 680 N -0.82 3.31 -0.03 1.90 5.04 -1.04 -0.90 115.29 122.74 2xaq s HIS 680 Ca 0.13 0.49 -0.30 0.00 -1.54 0.00 0.00 55.06 53.84 2xaq s HIS 680 Cb -0.11 -2.54 -0.04 0.00 0.04 0.00 0.00 32.58 29.94 2xaq s HIS 680 CO 0.03 -0.12 1.20 0.08 -2.34 0.00 0.00 174.74 173.59 2xaq s VAL 681 N 1.68 4.22 0.64 0.89 1.01 -1.21 -4.44 120.40 123.20 2xaq s VAL 681 Ca 0.16 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 2xaq s VAL 681 Cb -0.15 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.37 2xaq s VAL 681 CO 0.09 0.02 0.87 0.61 0.00 0.00 0.00 175.10 176.70 2xaq n GLY 682 N 3.33 -0.64 0.11 4.51 0.00 -1.26 -2.81 105.19 108.42 2xaq n GLY 682 Ca 0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 2xaq n GLY 682 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2xaq h SER 683 N -0.96 -0.12 -1.03 1.61 0.02 -1.94 -3.42 113.55 107.71 2xaq h SER 683 Ca -0.28 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2xaq h SER 683 Cb 0.87 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2xaq h SER 683 CO 0.23 0.51 0.00 0.41 -1.14 0.00 0.00 176.83 176.84 2xaq n THR 684 N -4.83 0.00 -0.13 -2.27 -1.04 -1.26 -5.01 114.28 99.74 2xaq n THR 684 Ca -0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.70 2xaq n THR 684 Cb 0.23 -0.50 -0.11 0.00 -1.82 0.00 0.00 70.33 68.14 2xaq n THR 684 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2xaq n THR 685 N 0.00 1.53 0.38 12.58 -1.04 -1.26 -4.35 114.28 122.12 2xaq n THR 685 Ca 0.00 -0.41 0.03 0.00 -2.04 0.00 0.00 64.05 61.62 2xaq n THR 685 Cb 0.00 -1.77 0.15 0.00 -1.82 0.00 0.00 70.33 66.90 2xaq n THR 685 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2xaq n ALA 686 N -3.83 1.72 -1.59 2.41 0.00 -1.26 -1.49 120.51 116.46 2xaq n ALA 686 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2xaq n ALA 686 Cb 0.90 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2xaq n ALA 686 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2xaq n SER 687 N -0.93 0.00 -0.10 0.00 3.41 -1.26 -4.73 113.62 110.02 2xaq n SER 687 Ca 0.04 -1.36 0.26 0.00 -0.26 0.00 0.00 58.87 57.55 2xaq n SER 687 Cb 0.02 -0.07 0.72 0.00 -0.26 0.00 0.00 64.21 64.61 2xaq n SER 687 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2xaq h ARG 688 N 0.00 0.00 0.00 4.33 0.11 -1.46 -2.60 114.38 114.76 2xaq h ARG 688 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2xaq h ARG 688 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2xaq h ARG 688 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 2xaq n GLY 689 N -1.65 -2.61 0.00 0.08 0.00 -1.26 -4.46 105.19 95.29 2xaq n GLY 689 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2xaq n GLY 689 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xaq n GLU 690 N -1.75 0.00 -3.96 1.61 2.13 -0.98 -1.47 120.64 116.22 2xaq n GLU 690 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2xaq n GLU 690 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 2xaq n GLU 690 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2xaq n LEU 691 N 0.00 -1.28 -0.01 4.31 4.77 -1.15 -4.82 117.00 118.82 2xaq n LEU 691 Ca 0.00 -0.80 0.15 0.00 -0.03 0.00 0.00 56.01 55.33 2xaq n LEU 691 Cb 0.00 -1.87 0.79 0.00 -2.33 0.00 0.00 43.42 40.02 2xaq n LEU 691 CO 0.00 0.18 1.03 2.22 -1.33 0.00 0.00 177.39 179.50 2xaq n PHE 692 N -4.03 0.00 -3.71 -1.77 -1.74 -0.54 -4.55 117.46 101.12 2xaq n PHE 692 Ca 0.06 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.82 2xaq n PHE 692 Cb 0.49 -0.21 -0.09 0.00 1.52 0.00 0.00 39.48 41.18 2xaq n PHE 692 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2xaq s LEU 693 N -2.44 0.25 -0.04 5.98 2.96 -1.26 -2.50 118.68 121.63 2xaq s LEU 693 Ca 0.33 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.12 2xaq s LEU 693 Cb 0.21 1.60 -0.00 0.00 0.50 0.00 0.00 46.19 48.49 2xaq s LEU 693 CO 0.44 -0.21 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.73 2xaq s PHE 694 N 0.01 1.69 -0.22 5.38 0.40 -0.27 -1.45 117.98 123.52 2xaq s PHE 694 Ca -0.02 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2xaq s PHE 694 Cb -0.03 -1.14 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2xaq s PHE 694 CO 0.01 -0.16 -0.10 -1.58 0.70 0.00 0.00 175.22 174.09 2xaq s TRP 695 N 0.03 2.95 -0.53 0.36 0.52 0.91 -2.14 118.94 121.04 2xaq s TRP 695 Ca -0.03 -1.42 -0.15 0.00 0.02 0.00 0.00 56.10 54.51 2xaq s TRP 695 Cb -0.11 -2.02 0.12 0.00 -1.15 0.00 0.00 33.47 30.31 2xaq s TRP 695 CO 0.02 -0.70 0.47 1.21 0.02 0.00 0.00 176.95 177.97 2xaq s ASN 696 N 1.35 6.13 0.00 2.95 2.47 0.86 0.23 114.94 128.93 2xaq s ASN 696 Ca 0.03 -1.77 0.00 0.00 0.42 0.00 0.00 52.86 51.54 2xaq s ASN 696 Cb -0.15 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 2xaq s ASN 696 CO -0.07 -0.83 0.00 0.18 -3.72 0.00 0.00 177.10 172.67 2xaq n LEU 697 N 5.21 0.00 -5.02 3.21 4.77 -1.26 -4.32 117.00 119.58 2xaq n LEU 697 Ca -0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 2xaq n LEU 697 Cb 0.40 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2xaq n LEU 697 CO 0.52 0.00 0.43 -0.31 -1.33 0.00 0.00 177.39 176.71 2xaq s TYR 698 N -1.83 1.37 -0.05 -1.77 1.51 -1.26 -4.95 117.35 110.36 2xaq s TYR 698 Ca 0.00 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.36 2xaq s TYR 698 Cb 0.00 -2.50 -0.06 0.00 -0.11 0.00 0.00 41.96 39.29 2xaq s TYR 698 CO 0.00 -1.42 0.44 0.87 -1.11 0.00 0.00 175.55 174.34 2xaq h LYS 699 N -0.12 -0.37 0.00 -0.62 1.57 -1.93 -3.47 116.57 111.63 2xaq h LYS 699 Ca -0.32 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2xaq h LYS 699 Cb 1.28 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2xaq h LYS 699 CO 0.40 -0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 2xaq n ALA 700 N -2.75 0.00 -3.45 3.86 0.00 -1.26 -4.89 120.51 112.02 2xaq n ALA 700 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 2xaq n ALA 700 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2xaq n ALA 700 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2xaq n PRO 701 N -1.18 3.20 -4.52 0.00 -0.04 -1.26 -4.99 135.00 126.22 2xaq n PRO 701 Ca 0.00 -4.48 -0.22 0.00 -0.04 0.00 0.00 63.50 58.76 2xaq n PRO 701 Cb 0.00 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 30.82 2xaq n PRO 701 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2xaq s ILE 702 N -1.43 0.98 -0.06 0.52 1.01 -1.26 -1.20 121.20 119.76 2xaq s ILE 702 Ca 0.30 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2xaq s ILE 702 Cb -0.08 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 2xaq s ILE 702 CO -0.09 0.30 -0.15 -0.76 0.00 0.00 0.00 174.94 174.24 2xaq s LEU 703 N 0.24 2.66 -0.22 2.97 1.43 0.31 -4.30 118.68 121.77 2xaq s LEU 703 Ca -0.05 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2xaq s LEU 703 Cb -0.10 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2xaq s LEU 703 CO 0.01 0.30 0.11 -0.76 0.23 0.00 0.00 176.35 176.25 2xaq s LEU 704 N -0.48 3.88 -0.17 1.79 1.43 0.14 -1.69 118.68 123.57 2xaq s LEU 704 Ca 0.06 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 2xaq s LEU 704 Cb -0.12 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2xaq s LEU 704 CO 0.02 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.62 2xaq s ALA 705 N 0.97 2.87 -0.39 4.21 0.00 0.17 -0.06 121.76 129.53 2xaq s ALA 705 Ca 0.06 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 2xaq s ALA 705 Cb -0.14 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.45 2xaq s ALA 705 CO 0.03 0.01 0.37 -0.51 0.00 0.00 0.00 175.76 175.66 2xaq s LEU 706 N 0.73 4.75 -0.88 0.00 1.02 -0.53 0.34 118.68 124.11 2xaq s LEU 706 Ca -0.02 -0.55 -0.20 0.00 0.02 0.00 0.00 54.13 53.37 2xaq s LEU 706 Cb -0.15 -2.31 0.11 0.00 0.02 0.00 0.00 46.19 43.87 2xaq s LEU 706 CO 0.02 -0.45 1.11 -0.69 0.02 0.00 0.00 176.35 176.36 2xaq s VAL 707 N 1.97 4.60 0.00 -1.59 1.01 -0.58 -2.95 120.40 122.86 2xaq s VAL 707 Ca 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2xaq s VAL 707 Cb -0.17 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2xaq s VAL 707 CO 0.12 -1.52 0.00 0.00 0.00 0.00 0.00 175.10 173.70 2xaq n ALA 708 N 6.91 0.00 0.00 5.51 0.00 -1.25 -3.05 120.51 128.63 2xaq n ALA 708 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2xaq n ALA 708 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2xaq n ALA 708 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xaq n GLY 709 N 5.00 0.00 0.28 0.00 0.00 -1.26 -1.88 105.19 107.33 2xaq n GLY 709 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2xaq n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xaq h GLU 710 N 0.00 0.55 -0.79 1.61 4.39 -1.93 -2.91 114.58 115.51 2xaq h GLU 710 Ca 0.00 -0.11 0.18 0.00 0.34 0.00 0.00 59.36 59.77 2xaq h GLU 710 Cb 0.00 -0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 28.43 2xaq h GLU 710 CO 0.00 0.56 0.04 0.00 -1.16 0.00 0.00 179.01 178.45 2xaq h ALA 711 N 1.50 0.87 -0.54 3.43 0.00 -1.84 -3.15 119.26 119.52 2xaq h ALA 711 Ca 0.12 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2xaq h ALA 711 Cb 0.31 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2xaq h ALA 711 CO 0.01 -0.43 0.09 0.00 0.00 0.00 0.00 179.25 178.92 2xaq h ALA 712 N 1.73 0.61 0.00 0.00 0.00 -1.16 -0.32 119.26 120.11 2xaq h ALA 712 Ca 0.44 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2xaq h ALA 712 Cb 0.80 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2xaq h ALA 712 CO -0.68 -0.32 -0.03 0.78 0.00 0.00 0.00 179.25 179.00 2xaq h GLY 713 N 0.23 0.00 0.00 0.00 0.00 -1.75 -2.96 103.07 98.58 2xaq h GLY 713 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.41 2xaq h GLY 713 CO -0.37 0.00 -1.28 1.39 0.00 0.00 0.00 176.54 176.27 2xaq n ILE 714 N -3.91 1.50 -0.18 2.60 5.41 -0.27 -3.89 119.36 120.62 2xaq n ILE 714 Ca -0.03 -0.02 0.28 0.00 1.00 0.00 0.00 62.75 63.98 2xaq n ILE 714 Cb 0.12 -2.12 0.50 0.00 -0.71 0.00 0.00 39.64 37.43 2xaq n ILE 714 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2xaq h MET 715 N -1.00 0.00 0.00 0.38 2.86 -1.18 0.35 114.93 116.34 2xaq h MET 715 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2xaq h MET 715 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2xaq h MET 715 CO -0.18 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.72 2xaq h GLU 716 N 0.00 0.00 0.00 1.72 5.08 -1.63 -2.81 114.58 116.94 2xaq h GLU 716 Ca 0.46 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.53 2xaq h GLU 716 Cb 2.64 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.84 2xaq h GLU 716 CO -0.00 0.00 -2.05 0.09 -1.00 0.00 0.00 179.01 176.05 2xaq n ASN 717 N -2.36 0.33 -4.72 1.42 3.02 0.12 -4.86 115.26 108.22 2xaq n ASN 717 Ca -0.00 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 2xaq n ASN 717 Cb 0.10 0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 2xaq n ASN 717 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2xaq s ILE 718 N -2.68 2.09 1.14 2.41 1.01 -1.06 -5.05 121.20 119.05 2xaq s ILE 718 Ca -0.07 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2xaq s ILE 718 Cb 0.08 -3.04 0.16 0.00 0.01 0.00 0.00 42.46 39.66 2xaq s ILE 718 CO 0.83 0.00 0.28 -1.54 0.00 0.00 0.00 174.94 174.52 2xaq n SER 719 N 3.99 -2.21 0.05 3.58 3.41 -1.26 -4.91 113.62 116.27 2xaq n SER 719 Ca 0.16 -0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 2xaq n SER 719 Cb 0.36 -1.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 2xaq n SER 719 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2xaq h ASP 720 N -2.23 -0.17 -0.50 4.04 3.32 -1.96 -3.05 116.42 115.86 2xaq h ASP 720 Ca -0.56 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.16 2xaq h ASP 720 Cb 1.35 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.89 2xaq h ASP 720 CO 0.41 0.38 -0.29 0.47 -1.72 0.00 0.00 179.24 178.48 2xaq n ASP 721 N -4.92 -0.53 -0.33 6.45 8.00 -1.26 -0.37 116.55 123.60 2xaq n ASP 721 Ca -0.08 1.21 0.21 0.00 0.71 0.00 0.00 54.79 56.85 2xaq n ASP 721 Cb 0.27 -0.28 0.48 0.00 -0.02 0.00 0.00 41.12 41.57 2xaq n ASP 721 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2xaq h VAL 722 N 0.00 0.54 0.09 2.53 2.07 -1.95 0.74 116.25 120.27 2xaq h VAL 722 Ca 0.08 -0.15 -0.29 0.00 0.82 0.00 0.00 66.70 67.16 2xaq h VAL 722 Cb 0.20 0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2xaq h VAL 722 CO -0.47 0.08 -1.19 0.40 0.02 0.00 0.00 177.57 176.42 2xaq h ILE 723 N 0.45 1.30 -0.55 4.57 2.04 -0.66 -1.06 117.51 123.60 2xaq h ILE 723 Ca 0.60 -2.46 -0.09 0.00 1.00 0.00 0.00 64.86 63.91 2xaq h ILE 723 Cb 1.41 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 40.10 2xaq h ILE 723 CO -0.33 0.75 -0.02 0.58 0.00 0.00 0.00 178.15 179.13 2xaq h VAL 724 N 0.28 1.26 0.00 1.67 2.07 0.20 -2.40 116.25 119.33 2xaq h VAL 724 Ca -0.17 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2xaq h VAL 724 Cb 1.85 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2xaq h VAL 724 CO 0.22 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2xaq n GLY 725 N -0.49 -2.72 0.00 2.17 0.00 0.25 -0.39 105.19 104.00 2xaq n GLY 725 Ca 0.03 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.65 2xaq n GLY 725 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xaq n ARG 726 N -1.20 0.06 -0.08 1.61 1.74 -0.44 -1.44 116.66 116.91 2xaq n ARG 726 Ca 0.00 0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 57.22 2xaq n ARG 726 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 2xaq n ARG 726 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xaq h LEU 728 N -1.00 -1.14 0.00 0.00 3.38 0.37 -2.44 115.31 114.48 2xaq h LEU 728 Ca -0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2xaq h LEU 728 Cb 0.96 0.33 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2xaq h LEU 728 CO -0.05 -0.70 0.00 0.00 0.09 0.00 0.00 178.44 177.78 2xaq n ALA 729 N -2.67 0.00 -0.22 1.53 0.00 -0.52 -0.23 120.51 118.39 2xaq n ALA 729 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.33 2xaq n ALA 729 Cb 0.46 0.08 0.14 0.00 0.00 0.00 0.00 19.45 20.14 2xaq n ALA 729 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2xaq h ILE 730 N 0.00 0.60 0.11 0.00 2.04 -1.43 -1.93 117.51 116.91 2xaq h ILE 730 Ca 0.00 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2xaq h ILE 730 Cb 0.00 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2xaq h ILE 730 CO 0.00 0.05 -0.05 -0.07 0.00 0.00 0.00 178.15 178.08 2xaq h LEU 731 N 0.29 -0.13 -0.19 1.44 3.38 -0.10 -2.27 115.31 117.73 2xaq h LEU 731 Ca 0.36 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2xaq h LEU 731 Cb 0.57 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2xaq h LEU 731 CO -0.44 -0.03 -0.22 0.11 0.09 0.00 0.00 178.44 177.95 2xaq h LYS 732 N -0.22 -0.13 -0.98 1.13 1.57 -0.46 0.23 116.57 117.72 2xaq h LYS 732 Ca -0.02 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.09 2xaq h LYS 732 Cb 0.17 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 2xaq h LYS 732 CO 0.03 -0.09 0.66 0.41 -0.57 0.00 0.00 179.45 179.88 2xaq n GLY 733 N -1.14 -0.56 0.10 3.86 0.00 -0.76 -0.11 105.19 106.59 2xaq n GLY 733 Ca -0.01 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 2xaq n GLY 733 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xaq n ILE 734 N -3.72 1.58 0.23 -0.61 -0.00 0.60 -4.34 119.36 113.11 2xaq n ILE 734 Ca 0.26 -0.75 0.03 0.00 -0.00 0.00 0.00 62.75 62.29 2xaq n ILE 734 Cb 1.07 -1.11 -0.04 0.00 -0.00 0.00 0.00 39.64 39.56 2xaq n ILE 734 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2xaq n PHE 735 N -3.10 0.00 0.00 1.39 3.72 0.66 -4.97 117.46 115.15 2xaq n PHE 735 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2xaq n PHE 735 Cb 1.07 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 2xaq n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xaq n GLY 736 N 1.44 3.65 0.00 1.37 0.00 0.84 -4.59 105.19 107.90 2xaq n GLY 736 Ca 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2xaq n GLY 736 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xaq n SER 737 N 0.00 0.00 -0.31 1.61 2.88 -1.26 -1.55 113.62 114.99 2xaq n SER 737 Ca 0.00 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2xaq n SER 737 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2xaq n SER 737 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2xaq n SER 738 N -0.61 0.00 0.00 -3.46 3.41 -1.26 -4.79 113.62 106.91 2xaq n SER 738 Ca 0.00 -0.78 0.12 0.00 -0.26 0.00 0.00 58.87 57.96 2xaq n SER 738 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 2xaq n SER 738 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xaq n ALA 739 N 0.00 2.27 -3.95 7.33 0.00 -0.60 -4.80 120.51 120.76 2xaq n ALA 739 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2xaq n ALA 739 Cb 0.39 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 2xaq n ALA 739 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xaq s VAL 740 N -2.62 2.51 1.00 0.00 1.01 -1.26 -4.82 120.40 116.23 2xaq s VAL 740 Ca 0.23 -3.17 -0.14 0.00 0.00 0.00 0.00 61.98 58.90 2xaq s VAL 740 Cb 0.17 -2.76 0.09 0.00 0.00 0.00 0.00 36.38 33.88 2xaq s VAL 740 CO 0.40 -0.77 0.45 -2.65 0.00 0.00 0.00 175.10 172.52 2xaq n PRO 741 N 3.28 -0.80 -1.63 2.72 -0.02 -1.26 -4.97 135.00 132.32 2xaq n PRO 741 Ca 0.05 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 60.98 2xaq n PRO 741 Cb 0.33 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 2xaq n PRO 741 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2xaq s GLN 742 N -3.78 2.42 -0.09 -0.52 -1.52 -1.26 -4.99 119.66 109.92 2xaq s GLN 742 Ca 0.59 1.83 -0.29 0.00 -1.95 0.00 0.00 55.36 55.54 2xaq s GLN 742 Cb -0.19 -1.86 -0.01 0.00 -0.22 0.00 0.00 33.01 30.72 2xaq s GLN 742 CO 0.66 -1.63 0.99 -1.25 -0.25 0.00 0.00 175.29 173.80 2xaq s PRO 743 N -3.68 4.44 0.07 2.91 0.04 -1.26 -4.81 135.00 132.71 2xaq s PRO 743 Ca 0.77 1.37 -0.33 0.00 0.04 0.00 0.00 61.00 62.85 2xaq s PRO 743 Cb -0.31 -3.53 -0.18 0.00 0.04 0.00 0.00 34.50 30.51 2xaq s PRO 743 CO 0.41 -0.27 1.62 0.87 0.04 0.00 0.00 177.00 179.67 2xaq h LYS 744 N 7.06 -0.87 -6.25 4.56 1.79 -0.86 -3.44 116.57 118.56 2xaq h LYS 744 Ca -0.32 0.06 -0.69 0.00 -2.18 0.00 0.00 60.65 57.51 2xaq h LYS 744 Cb 1.16 0.20 -0.31 0.00 -1.58 0.00 0.00 32.23 31.70 2xaq h LYS 744 CO 0.84 -0.58 -0.88 -1.21 -1.08 0.00 0.00 179.45 176.53 2xaq s GLU 745 N -6.05 2.38 0.01 3.15 0.41 -1.15 -5.04 118.70 112.42 2xaq s GLU 745 Ca -0.18 -0.91 0.01 0.00 -0.41 0.00 0.00 54.97 53.49 2xaq s GLU 745 Cb 0.04 -2.12 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 2xaq s GLU 745 CO 0.62 0.45 -0.05 0.95 -0.49 0.00 0.00 175.26 176.75 2xaq s THR 746 N -0.35 0.36 0.07 3.63 -4.23 -1.26 -0.96 115.64 112.91 2xaq s THR 746 Ca 0.02 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 2xaq s THR 746 Cb -0.12 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.32 2xaq s THR 746 CO 0.02 -0.11 -0.08 0.68 -0.54 0.00 0.00 174.62 174.59 2xaq s VAL 747 N -0.60 0.64 -0.09 2.29 -7.23 -0.76 -4.99 120.40 109.66 2xaq s VAL 747 Ca -0.04 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2xaq s VAL 747 Cb -0.05 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.85 2xaq s VAL 747 CO -0.00 -0.56 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.43 2xaq s VAL 748 N -2.25 1.12 -0.17 1.32 1.01 -1.26 0.22 120.40 120.40 2xaq s VAL 748 Ca -0.01 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2xaq s VAL 748 Cb -0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2xaq s VAL 748 CO -0.01 0.37 1.15 -0.94 0.00 0.00 0.00 175.10 175.67 2xaq s SER 749 N 1.18 7.04 -0.77 3.32 1.04 -0.74 -4.99 113.70 119.78 2xaq s SER 749 Ca -0.05 1.59 0.03 0.00 0.48 0.00 0.00 55.95 58.00 2xaq s SER 749 Cb -0.14 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.66 2xaq s SER 749 CO -0.03 -0.67 0.75 0.54 0.98 0.00 0.00 173.24 174.81 2xaq n ARG 750 N 6.15 2.53 0.00 4.02 1.74 -1.26 -4.31 116.66 125.53 2xaq n ARG 750 Ca 0.12 -4.56 0.00 0.00 -0.77 0.00 0.00 57.85 52.64 2xaq n ARG 750 Cb 0.46 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 2xaq n ARG 750 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2xaq n TRP 751 N 1.58 0.00 -0.55 -1.55 5.03 -1.26 -2.62 117.44 118.07 2xaq n TRP 751 Ca 0.24 0.00 0.43 0.00 3.03 0.00 0.00 57.50 61.21 2xaq n TRP 751 Cb 0.37 -0.29 0.67 0.00 -1.03 0.00 0.00 31.31 31.03 2xaq n TRP 751 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2xaq n ARG 752 N -1.41 0.00 0.12 -0.99 3.00 -1.26 0.24 116.66 116.36 2xaq n ARG 752 Ca 0.00 0.96 0.13 0.00 -0.00 0.00 0.00 57.85 58.94 2xaq n ARG 752 Cb 0.00 -2.25 0.40 0.00 0.00 0.00 0.00 32.46 30.61 2xaq n ARG 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2xaq h ALA 753 N 0.81 1.00 -1.75 5.13 0.00 -1.86 -3.38 119.26 119.20 2xaq h ALA 753 Ca 0.77 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 55.11 2xaq h ALA 753 Cb 3.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 20.99 2xaq h ALA 753 CO -0.01 0.00 1.14 0.34 0.00 0.00 0.00 179.25 180.72 2xaq s ASP 754 N -4.63 6.13 0.00 0.00 -1.08 0.65 -4.85 116.67 112.88 2xaq s ASP 754 Ca 0.10 0.79 0.03 0.00 -0.52 0.00 0.00 52.55 52.95 2xaq s ASP 754 Cb 0.12 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 39.21 2xaq s ASP 754 CO 0.58 -1.61 0.49 -0.81 0.52 0.00 0.00 175.17 174.34 2xaq n PRO 755 N 8.34 0.19 -0.78 4.34 -0.04 -1.26 -0.07 135.00 145.72 2xaq n PRO 755 Ca 0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2xaq n PRO 755 Cb 0.48 -1.23 0.11 0.00 -0.04 0.00 0.00 33.50 32.82 2xaq n PRO 755 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2xaq n TRP 756 N -0.73 0.00 0.00 0.54 5.03 -1.26 -4.72 117.44 116.30 2xaq n TRP 756 Ca 0.02 -0.90 0.00 0.00 3.03 0.00 0.00 57.50 59.65 2xaq n TRP 756 Cb 0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 31.31 30.11 2xaq n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2xaq n ALA 757 N -0.51 0.04 -3.10 6.99 0.00 0.90 -4.85 120.51 119.98 2xaq n ALA 757 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 2xaq n ALA 757 Cb 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 2xaq n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2xaq n ARG 758 N -0.45 -0.85 0.00 0.00 1.74 0.37 -4.43 116.66 113.04 2xaq n ARG 758 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2xaq n ARG 758 Cb 0.00 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 2xaq n ARG 758 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xaq n GLY 759 N -0.83 1.74 0.23 -0.13 0.00 -1.25 -4.63 105.19 100.33 2xaq n GLY 759 Ca 0.05 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 2xaq n GLY 759 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xaq n SER 760 N 0.00 1.75 -3.19 1.61 3.41 -0.67 -4.45 113.62 112.08 2xaq n SER 760 Ca 0.00 0.30 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 2xaq n SER 760 Cb 0.00 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 2xaq n SER 760 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2xaq s TYR 761 N -2.45 -0.15 0.00 7.33 -0.85 -1.25 -4.99 117.35 114.99 2xaq s TYR 761 Ca -0.35 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 2xaq s TYR 761 Cb 0.13 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.55 2xaq s TYR 761 CO 0.44 -0.07 0.00 -1.13 -1.52 0.00 0.00 175.55 173.26 2xaq n SER 762 N 4.86 0.00 -4.01 -0.18 3.41 -1.24 -3.71 113.62 112.74 2xaq n SER 762 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.45 2xaq n SER 762 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 2xaq n SER 762 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2xaq s TYR 763 N 0.00 0.46 -0.54 7.33 -0.85 0.72 -4.68 117.35 119.78 2xaq s TYR 763 Ca 0.00 -0.91 -0.28 0.00 -0.52 0.00 0.00 57.07 55.36 2xaq s TYR 763 Cb 0.00 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.10 2xaq s TYR 763 CO 0.00 -0.51 1.36 0.08 -1.52 0.00 0.00 175.55 174.96 2xaq s VAL 764 N -3.94 3.86 0.00 -3.49 1.01 -1.26 -1.41 120.40 115.17 2xaq s VAL 764 Ca 0.11 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2xaq s VAL 764 Cb 0.06 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2xaq s VAL 764 CO -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 175.10 173.89 2xaq n ALA 765 N 9.19 0.00 -2.79 5.51 0.00 -1.26 -2.16 120.51 129.00 2xaq n ALA 765 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 2xaq n ALA 765 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2xaq n ALA 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xaq s ALA 766 N -2.23 3.86 -1.27 0.00 0.00 -0.77 -0.84 121.76 120.51 2xaq s ALA 766 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2xaq s ALA 766 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2xaq s ALA 766 CO 0.00 0.64 0.87 0.41 0.00 0.00 0.00 175.76 177.67 2xaq n GLY 767 N 1.44 -0.34 3.32 0.00 0.00 -1.26 -4.89 105.19 103.45 2xaq n GLY 767 Ca -0.14 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2xaq n GLY 767 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xaq s SER 768 N -4.28 1.69 0.35 1.61 0.15 -1.26 -4.94 113.70 107.02 2xaq s SER 768 Ca 0.05 -1.70 -0.17 0.00 0.70 0.00 0.00 55.95 54.83 2xaq s SER 768 Cb -0.02 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 2xaq s SER 768 CO 0.77 -1.01 0.82 -0.94 1.20 0.00 0.00 173.24 174.08 2xaq s SER 769 N -3.39 -0.01 0.11 5.45 1.04 -1.26 -4.86 113.70 110.77 2xaq s SER 769 Ca 0.37 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.55 2xaq s SER 769 Cb 0.03 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 2xaq s SER 769 CO 0.23 -1.58 1.19 0.61 0.98 0.00 0.00 173.24 174.67 2xaq n GLY 770 N -0.55 -2.24 0.52 7.32 0.00 -1.26 -0.68 105.19 108.30 2xaq n GLY 770 Ca -0.07 0.89 0.39 0.00 0.00 0.00 0.00 46.02 47.23 2xaq n GLY 770 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2xaq n ASN 771 N -4.60 0.00 0.20 1.61 2.85 -1.26 0.73 115.26 114.79 2xaq n ASN 771 Ca 0.01 0.73 0.08 0.00 -0.11 0.00 0.00 54.58 55.29 2xaq n ASN 771 Cb 0.17 -0.36 0.27 0.00 1.24 0.00 0.00 39.78 41.10 2xaq n ASN 771 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2xaq h ASP 772 N 0.00 0.00 0.46 1.20 3.32 -1.31 -0.58 116.42 119.51 2xaq h ASP 772 Ca 0.69 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.72 2xaq h ASP 772 Cb 2.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.33 2xaq h ASP 772 CO -0.01 0.25 -0.22 1.88 -1.72 0.00 0.00 179.24 179.43 2xaq h TYR 773 N 0.00 -0.57 -0.33 4.55 0.05 0.18 -1.81 116.97 119.04 2xaq h TYR 773 Ca -0.00 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.79 2xaq h TYR 773 Cb 1.00 0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.89 2xaq h TYR 773 CO 0.00 -0.35 -0.19 -0.25 -1.05 0.00 0.00 178.16 176.31 2xaq n ASP 774 N -4.28 -0.35 -0.25 3.88 8.00 -1.19 0.25 116.55 122.61 2xaq n ASP 774 Ca -0.08 0.61 0.22 0.00 0.71 0.00 0.00 54.79 56.25 2xaq n ASP 774 Cb 0.24 -0.09 0.56 0.00 -0.02 0.00 0.00 41.12 41.82 2xaq n ASP 774 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2xaq h LEU 775 N 0.00 0.32 -0.31 0.64 3.38 -0.99 -1.74 115.31 116.61 2xaq h LEU 775 Ca 0.05 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 2xaq h LEU 775 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2xaq h LEU 775 CO -0.31 0.11 -0.73 0.24 0.09 0.00 0.00 178.44 177.84 2xaq h MET 776 N 0.31 0.60 -0.58 1.13 2.86 0.43 -3.27 114.93 116.41 2xaq h MET 776 Ca 0.48 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2xaq h MET 776 Cb 1.37 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 2xaq h MET 776 CO -0.16 1.10 0.20 0.00 1.06 0.00 0.00 176.91 179.11 2xaq h ALA 777 N 0.77 0.75 -1.00 6.32 0.00 -0.11 -3.43 119.26 122.57 2xaq h ALA 777 Ca -0.03 -0.19 -0.79 0.00 0.00 0.00 0.00 54.91 53.90 2xaq h ALA 777 Cb 1.32 -0.22 0.05 0.00 0.00 0.00 0.00 17.79 18.94 2xaq h ALA 777 CO 0.14 0.40 0.08 0.94 0.00 0.00 0.00 179.25 180.81 2xaq n GLN 778 N -4.44 0.00 -2.43 0.00 -0.06 -0.89 -4.02 117.38 105.54 2xaq n GLN 778 Ca 0.03 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.78 2xaq n GLN 778 Cb 0.19 -1.50 0.11 0.00 -4.06 0.00 0.00 30.24 24.99 2xaq n GLN 778 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2xaq s PRO 779 N 0.09 1.61 -0.15 3.69 0.05 -1.26 -4.68 135.00 134.34 2xaq s PRO 779 Ca 0.91 -0.87 0.02 0.00 0.05 0.00 0.00 61.00 61.12 2xaq s PRO 779 Cb -1.27 -2.24 0.01 0.00 0.05 0.00 0.00 34.50 31.05 2xaq s PRO 779 CO 0.58 -1.55 -0.22 0.42 0.05 0.00 0.00 177.00 176.28 2xaq s ILE 780 N -3.26 2.07 -0.32 0.56 -1.09 0.16 -4.99 121.20 114.32 2xaq s ILE 780 Ca 0.66 -0.97 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2xaq s ILE 780 Cb -0.06 -1.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 2xaq s ILE 780 CO 0.45 0.55 0.18 -0.89 -1.23 0.00 0.00 174.94 174.00 2xaq s THR 781 N 0.88 4.78 1.45 2.92 2.01 -1.26 -1.99 115.64 124.44 2xaq s THR 781 Ca -0.05 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2xaq s THR 781 Cb -0.15 -3.45 0.37 0.00 0.01 0.00 0.00 72.50 69.29 2xaq s THR 781 CO -0.04 0.04 0.92 -2.16 -0.69 0.00 0.00 174.62 172.70 2xaq s PRO 782 N 1.64 -3.16 0.70 4.92 0.04 -1.26 -4.95 135.00 132.93 2xaq s PRO 782 Ca 0.05 0.05 -0.06 0.00 0.04 0.00 0.00 61.00 61.08 2xaq s PRO 782 Cb -0.17 -1.36 0.07 0.00 0.04 0.00 0.00 34.50 33.09 2xaq s PRO 782 CO 0.07 -5.01 1.00 0.20 0.04 0.00 0.00 177.00 173.31 2xaq s GLY 783 N -3.25 1.72 0.39 0.56 0.00 -1.26 -4.69 107.32 100.79 2xaq s GLY 783 Ca 0.69 -1.09 -0.23 0.00 0.00 0.00 0.00 44.72 44.09 2xaq s GLY 783 CO 0.57 -0.65 0.96 -4.14 0.00 0.00 0.00 173.10 169.84 2xaq s PRO 784 N -5.22 4.34 0.00 2.90 0.02 -1.26 -4.15 135.00 131.63 2xaq s PRO 784 Ca 0.61 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.89 2xaq s PRO 784 Cb -0.10 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2xaq s PRO 784 CO 0.44 0.06 0.32 0.43 -0.33 0.00 0.00 177.00 177.92 2xaq n SER 785 N -0.14 0.00 -4.72 2.53 7.64 -1.26 -4.62 113.62 113.04 2xaq n SER 785 Ca 0.05 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.84 2xaq n SER 785 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2xaq n SER 785 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2xaq s ILE 786 N -0.65 2.88 0.51 0.44 1.09 -1.26 -5.00 121.20 119.21 2xaq s ILE 786 Ca 0.00 0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 60.01 2xaq s ILE 786 Cb 0.00 -3.42 -0.07 0.00 -1.06 0.00 0.00 42.46 37.90 2xaq s ILE 786 CO 0.00 0.07 1.08 -2.16 -0.10 0.00 0.00 174.94 173.83 2xaq s PRO 787 N 0.74 3.63 -1.97 2.79 0.04 -1.26 -2.87 135.00 136.10 2xaq s PRO 787 Ca 0.65 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2xaq s PRO 787 Cb -0.41 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2xaq s PRO 787 CO 0.34 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2xaq n GLY 788 N -0.03 1.11 3.88 0.56 0.00 -1.26 -5.01 105.19 104.43 2xaq n GLY 788 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2xaq n GLY 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaq s ALA 789 N -2.78 3.18 0.61 4.61 0.00 -1.14 -5.04 121.76 121.20 2xaq s ALA 789 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2xaq s ALA 789 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2xaq s ALA 789 CO 0.00 -0.54 1.06 -1.25 0.00 0.00 0.00 175.76 175.03 2xaq s PRO 790 N -4.93 3.23 -0.47 0.00 0.04 -1.26 -4.86 135.00 126.75 2xaq s PRO 790 Ca 0.53 1.22 -0.44 0.00 0.04 0.00 0.00 61.00 62.35 2xaq s PRO 790 Cb -0.11 -2.02 -0.19 0.00 0.04 0.00 0.00 34.50 32.23 2xaq s PRO 790 CO 0.49 -0.88 1.94 0.94 0.04 0.00 0.00 177.00 179.53 2xaq n GLN 791 N -2.13 0.16 -1.09 4.56 -0.06 -1.26 -4.92 117.38 112.64 2xaq n GLN 791 Ca 0.09 0.05 -0.30 0.00 -2.00 0.00 0.00 57.00 54.84 2xaq n GLN 791 Cb 0.53 -1.61 0.23 0.00 -4.06 0.00 0.00 30.24 25.33 2xaq n GLN 791 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2xaq s PRO 792 N 4.88 -1.00 0.43 3.69 0.02 -1.26 -5.03 135.00 136.73 2xaq s PRO 792 Ca 1.13 0.02 -0.21 0.00 0.02 0.00 0.00 61.00 61.96 2xaq s PRO 792 Cb -1.42 -1.61 -0.11 0.00 0.02 0.00 0.00 34.50 31.37 2xaq s PRO 792 CO 0.70 -3.58 0.95 0.42 -0.33 0.00 0.00 177.00 175.16 2xaq s ILE 793 N -2.99 4.39 0.02 2.83 1.09 -1.26 -4.96 121.20 120.32 2xaq s ILE 793 Ca 0.70 1.48 -0.30 0.00 -1.10 0.00 0.00 60.65 61.43 2xaq s ILE 793 Cb -0.11 -3.60 -0.07 0.00 -1.06 0.00 0.00 42.46 37.61 2xaq s ILE 793 CO 0.56 -0.33 1.71 -2.84 -0.10 0.00 0.00 174.94 173.95 2xaq s PRO 794 N -3.20 4.18 0.00 2.79 0.02 -1.26 -4.30 135.00 133.23 2xaq s PRO 794 Ca 0.62 2.33 0.17 0.00 0.02 0.00 0.00 61.00 64.14 2xaq s PRO 794 Cb -0.09 -3.85 -0.01 0.00 0.02 0.00 0.00 34.50 30.56 2xaq s PRO 794 CO 0.13 -0.82 0.89 0.54 -0.33 0.00 0.00 177.00 177.42 2xaq n ARG 795 N 6.55 1.58 -3.42 5.54 5.12 -0.84 -4.95 116.66 126.25 2xaq n ARG 795 Ca 0.17 -0.81 -0.14 0.00 -1.93 0.00 0.00 57.85 55.13 2xaq n ARG 795 Cb 0.41 -1.31 -0.10 0.00 -1.16 0.00 0.00 32.46 30.30 2xaq n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2xaq s LEU 796 N -2.15 -0.35 0.33 0.55 2.96 -1.17 -2.39 118.68 116.45 2xaq s LEU 796 Ca 0.14 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 2xaq s LEU 796 Cb 0.14 0.70 -0.05 0.00 0.50 0.00 0.00 46.19 47.48 2xaq s LEU 796 CO 0.45 -0.33 0.05 -0.36 -1.32 0.00 0.00 176.35 174.84 2xaq s PHE 797 N 2.42 2.62 -0.08 5.38 0.40 0.32 -0.66 117.98 128.37 2xaq s PHE 797 Ca 0.10 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2xaq s PHE 797 Cb -0.15 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2xaq s PHE 797 CO -0.18 0.46 -0.06 -0.06 0.70 0.00 0.00 175.22 176.09 2xaq s PHE 798 N -2.46 1.11 0.21 0.36 0.40 -1.26 -0.61 117.98 115.73 2xaq s PHE 798 Ca 0.35 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 2xaq s PHE 798 Cb -0.02 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 2xaq s PHE 798 CO 0.20 -0.36 0.22 0.00 0.70 0.00 0.00 175.22 175.99 2xaq s ALA 799 N 1.45 0.74 0.00 5.36 0.00 -0.38 -4.59 121.76 124.34 2xaq s ALA 799 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2xaq s ALA 799 Cb -0.13 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2xaq s ALA 799 CO -0.04 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2xaq n GLY 800 N -0.29 3.21 0.21 0.00 0.00 -1.26 -3.15 105.19 103.90 2xaq n GLY 800 Ca 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.94 2xaq n GLY 800 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2xaq h GLU 801 N 0.00 0.00 -0.00 1.61 4.22 -1.84 -1.42 114.58 117.14 2xaq h GLU 801 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2xaq h GLU 801 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xaq h GLU 801 CO 0.00 0.00 -0.18 -2.39 -2.18 0.00 0.00 179.01 174.26 2xaq n HIS 802 N -2.39 0.00 1.00 0.92 1.44 -1.26 -2.08 115.22 112.85 2xaq n HIS 802 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 2xaq n HIS 802 Cb 0.17 -0.24 -0.05 0.00 0.12 0.00 0.00 29.99 30.00 2xaq n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2xaq n THR 803 N -1.11 0.00 -3.21 0.61 -2.24 -0.53 -4.63 114.28 103.16 2xaq n THR 803 Ca 0.11 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2xaq n THR 803 Cb 0.31 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 2xaq n THR 803 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xaq n ILE 804 N -0.73 4.44 -0.28 2.28 3.06 -1.25 -4.18 119.36 122.71 2xaq n ILE 804 Ca 0.07 -5.63 0.21 0.00 -2.50 0.00 0.00 62.75 54.90 2xaq n ILE 804 Cb 0.40 -2.21 0.32 0.00 0.54 0.00 0.00 39.64 38.70 2xaq n ILE 804 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 2xaq n ARG 805 N 1.60 -0.00 0.00 9.51 0.63 -1.26 -1.25 116.66 125.90 2xaq n ARG 805 Ca 0.26 0.43 0.11 0.00 -0.92 0.00 0.00 57.85 57.72 2xaq n ARG 805 Cb 0.36 -0.98 -0.11 0.00 0.45 0.00 0.00 32.46 32.18 2xaq n ARG 805 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2xaq n ASN 806 N -2.76 0.61 -2.96 6.15 4.13 -1.26 -4.57 115.26 114.61 2xaq n ASN 806 Ca 0.18 -0.54 -0.14 0.00 1.68 0.00 0.00 54.58 55.75 2xaq n ASN 806 Cb 0.80 1.27 0.02 0.00 -1.54 0.00 0.00 39.78 40.33 2xaq n ASN 806 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2xaq n TYR 807 N -1.81 -1.44 -2.47 3.10 4.01 -0.38 -4.81 117.16 113.36 2xaq n TYR 807 Ca 0.01 -2.92 -0.32 0.00 -0.16 0.00 0.00 57.90 54.51 2xaq n TYR 807 Cb 0.42 0.62 -0.03 0.00 -0.31 0.00 0.00 39.34 40.04 2xaq n TYR 807 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2xaq s PRO 808 N -0.95 3.90 -1.12 -0.72 0.02 -1.18 -3.80 135.00 131.15 2xaq s PRO 808 Ca 0.31 0.85 -0.22 0.00 0.02 0.00 0.00 61.00 61.96 2xaq s PRO 808 Cb 0.30 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2xaq s PRO 808 CO -0.08 -0.24 0.76 0.00 -0.33 0.00 0.00 177.00 177.11 2xaq n ALA 809 N -1.57 -2.58 -3.26 -1.55 0.00 -0.88 -4.95 120.51 105.72 2xaq n ALA 809 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 2xaq n ALA 809 Cb 0.54 -3.55 -0.05 0.00 0.00 0.00 0.00 19.45 16.40 2xaq n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2xaq s THR 810 N -3.43 0.02 0.00 0.00 -4.23 -1.26 -5.02 115.64 101.71 2xaq s THR 810 Ca 0.44 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.56 2xaq s THR 810 Cb -0.18 -1.93 -0.18 0.00 1.34 0.00 0.00 72.50 71.55 2xaq s THR 810 CO 0.88 -0.07 1.30 0.58 -0.54 0.00 0.00 174.62 176.77 2xaq h VAL 811 N 2.24 1.37 0.00 2.29 2.07 -1.93 -1.13 116.25 121.16 2xaq h VAL 811 Ca -0.27 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2xaq h VAL 811 Cb 1.25 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2xaq h VAL 811 CO 0.36 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.28 2xaq n HIS 812 N -4.73 0.00 0.00 1.57 -0.00 -1.26 -1.04 115.22 109.76 2xaq n HIS 812 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2xaq n HIS 812 Cb 0.30 -0.29 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2xaq n HIS 812 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2xaq n GLY 813 N -0.91 0.00 0.23 -1.39 0.00 -1.25 0.18 105.19 102.05 2xaq n GLY 813 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2xaq n GLY 813 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaq h ALA 814 N 0.00 1.44 -0.31 4.61 0.00 0.26 -0.27 119.26 124.99 2xaq h ALA 814 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2xaq h ALA 814 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2xaq h ALA 814 CO 0.00 0.40 0.00 -0.11 0.00 0.00 0.00 179.25 179.54 2xaq n LEU 815 N -4.22 0.19 -0.11 0.00 -0.00 0.49 -1.93 117.00 111.42 2xaq n LEU 815 Ca -0.01 0.63 0.04 0.00 -0.00 0.00 0.00 56.01 56.67 2xaq n LEU 815 Cb 0.31 -0.45 0.08 0.00 -0.00 0.00 0.00 43.42 43.37 2xaq n LEU 815 CO 0.39 -0.45 0.25 0.18 -0.00 0.00 0.00 177.39 177.75 2xaq n LEU 816 N -1.85 -0.06 0.12 -1.96 4.77 -0.11 -0.10 117.00 117.81 2xaq n LEU 816 Ca 0.00 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 2xaq n LEU 816 Cb 0.00 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2xaq n LEU 816 CO 0.00 -0.55 0.66 -1.28 -1.33 0.00 0.00 177.39 174.88 2xaq h SER 817 N 0.00 -0.89 1.10 -1.43 0.87 -0.72 -2.07 113.55 110.41 2xaq h SER 817 Ca 0.19 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2xaq h SER 817 Cb 0.36 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2xaq h SER 817 CO -0.32 -0.40 0.00 0.61 -0.53 0.00 0.00 176.83 176.19 2xaq n GLY 818 N -1.41 -1.49 0.00 5.77 0.00 0.86 -1.32 105.19 107.59 2xaq n GLY 818 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2xaq n GLY 818 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xaq n LEU 819 N -2.05 0.76 0.00 0.99 4.77 -0.51 -3.23 117.00 117.74 2xaq n LEU 819 Ca 0.05 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2xaq n LEU 819 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2xaq n LEU 819 CO 0.25 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.17 2xaq n ARG 820 N -0.25 0.00 0.26 3.23 0.63 -0.94 0.44 116.66 120.03 2xaq n ARG 820 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2xaq n ARG 820 Cb 0.00 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.26 2xaq n ARG 820 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2xaq h GLU 821 N 0.00 0.00 0.07 -0.14 4.39 -1.36 -2.46 114.58 115.08 2xaq h GLU 821 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2xaq h GLU 821 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2xaq h GLU 821 CO 0.00 0.00 -1.94 0.00 -1.16 0.00 0.00 179.01 175.91 2xaq n ALA 822 N -1.60 0.96 -0.68 3.43 0.00 1.54 -2.12 120.51 122.04 2xaq n ALA 822 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2xaq n ALA 822 Cb 0.59 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2xaq n ALA 822 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xaq n GLY 823 N 1.86 -1.22 0.24 0.00 0.00 -0.97 -1.42 105.19 103.69 2xaq n GLY 823 Ca -0.36 0.26 0.24 0.00 0.00 0.00 0.00 46.02 46.16 2xaq n GLY 823 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2xaq n ARG 824 N -0.41 -0.04 0.06 1.61 0.63 -0.97 0.23 116.66 117.77 2xaq n ARG 824 Ca 0.00 0.97 -0.09 0.00 -0.92 0.00 0.00 57.85 57.81 2xaq n ARG 824 Cb 0.00 -1.76 -0.13 0.00 0.45 0.00 0.00 32.46 31.02 2xaq n ARG 824 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2xaq h ILE 825 N 0.00 1.59 0.41 5.15 2.04 -1.06 -2.29 117.51 123.36 2xaq h ILE 825 Ca 0.61 -3.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.15 2xaq h ILE 825 Cb 1.67 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.57 2xaq h ILE 825 CO -0.51 0.92 -0.20 0.00 0.00 0.00 0.00 178.15 178.36 2xaq h ALA 826 N 0.93 -0.86 -0.78 1.87 0.00 0.98 0.13 119.26 121.53 2xaq h ALA 826 Ca -0.06 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.01 2xaq h ALA 826 Cb 1.83 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.69 2xaq h ALA 826 CO 0.14 -0.82 0.26 -0.25 0.00 0.00 0.00 179.25 178.58 2xaq n ASP 827 N -3.94 0.13 0.15 0.00 9.92 -0.81 -0.34 116.55 121.66 2xaq n ASP 827 Ca -0.07 1.31 -0.06 0.00 -0.53 0.00 0.00 54.79 55.44 2xaq n ASP 827 Cb 0.22 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.10 2xaq n ASP 827 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2xaq h GLN 828 N 0.00 -0.37 -0.01 -1.24 5.75 -1.12 -2.45 115.11 115.67 2xaq h GLN 828 Ca 0.59 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.11 2xaq h GLN 828 Cb 1.45 0.08 0.00 0.00 1.07 0.00 0.00 27.48 30.08 2xaq h GLN 828 CO -0.65 -0.25 -0.29 1.19 -2.65 0.00 0.00 178.83 176.18 2xaq n PHE 829 N -3.31 0.00 -0.50 3.99 3.72 0.42 -3.65 117.46 118.13 2xaq n PHE 829 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2xaq n PHE 829 Cb 0.15 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2xaq n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2xaq n LEU 830 N -0.54 0.91 -1.55 4.37 4.77 0.54 -4.98 117.00 120.52 2xaq n LEU 830 Ca 0.12 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2xaq n LEU 830 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2xaq n LEU 830 CO 0.26 0.23 -0.45 0.61 -1.33 0.00 0.00 177.39 176.71 2xaq n GLY 831 N -0.21 -4.45 3.35 -0.72 0.00 -0.92 -4.74 105.19 97.50 2xaq n GLY 831 Ca 0.00 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 2xaq n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaq n ALA 832 N -1.40 4.21 0.22 4.61 0.00 -1.25 -4.65 120.51 122.25 2xaq n ALA 832 Ca 0.00 -4.52 0.14 0.00 0.00 0.00 0.00 53.44 49.06 2xaq n ALA 832 Cb 0.14 -2.68 0.75 0.00 0.00 0.00 0.00 19.45 17.66 2xaq n ALA 832 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2xaq h MET 833 N 6.71 0.00 -0.02 0.00 2.86 -1.97 -2.95 114.93 119.56 2xaq h MET 833 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2xaq h MET 833 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2xaq h MET 833 CO 1.14 0.00 0.00 2.48 1.06 0.00 0.00 176.91 181.59 2xaq n TYR 834 N -2.48 0.03 0.02 -0.22 4.11 -1.26 -4.12 117.16 113.24 2xaq n TYR 834 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.90 57.86 2xaq n TYR 834 Cb 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.33 2xaq n TYR 834 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2xaq n THR 835 N -0.58 1.24 0.00 -3.48 -2.24 -1.11 -4.91 114.28 103.21 2xaq n THR 835 Ca 0.10 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2xaq n THR 835 Cb 0.07 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2xaq n THR 835 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68