#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xaf s SER 172 N 0.00 -0.05 0.00 2.55 1.04 -1.26 -4.70 113.70 111.28 2xaf s SER 172 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2xaf s SER 172 Cb 0.00 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2xaf s SER 172 CO 0.00 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.31 2xaf n GLY 173 N -0.54 0.02 0.23 7.32 0.00 -1.26 -3.64 105.19 107.32 2xaf n GLY 173 Ca -0.07 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.52 2xaf n GLY 173 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2xaf h VAL 174 N 0.00 0.98 0.00 1.61 -1.51 -1.98 -2.73 116.25 112.63 2xaf h VAL 174 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2xaf h VAL 174 Cb 0.00 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2xaf h VAL 174 CO 0.00 0.19 0.00 -0.33 -1.23 0.00 0.00 177.57 176.20 2xaf h GLU 175 N 0.00 0.00 0.38 5.19 5.08 -1.91 -3.14 114.58 120.19 2xaf h GLU 175 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2xaf h GLU 175 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2xaf h GLU 175 CO 0.02 0.00 -0.18 0.78 -1.00 0.00 0.00 179.01 178.63 2xaf h GLY 176 N 3.73 -0.53 -0.74 -3.84 0.00 -1.55 -2.88 103.07 97.25 2xaf h GLY 176 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.62 2xaf h GLY 176 CO 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 176.54 175.83 2xaf h ALA 177 N -0.07 -0.46 -0.96 3.60 0.00 -1.62 0.64 119.26 120.39 2xaf h ALA 177 Ca -0.05 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2xaf h ALA 177 Cb 0.47 1.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 2xaf h ALA 177 CO 0.09 -0.91 0.61 0.00 0.00 0.00 0.00 179.25 179.03 2xaf h ALA 178 N 0.52 1.64 -0.01 0.00 0.00 -1.59 0.33 119.26 120.15 2xaf h ALA 178 Ca 0.17 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2xaf h ALA 178 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2xaf h ALA 178 CO -0.81 0.11 -0.21 0.35 0.00 0.00 0.00 179.25 178.70 2xaf h PHE 179 N 0.88 0.23 0.00 0.00 3.57 -1.03 0.54 116.94 121.13 2xaf h PHE 179 Ca 0.48 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2xaf h PHE 179 Cb 0.58 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2xaf h PHE 179 CO -0.00 0.88 -0.02 0.37 -2.23 0.00 0.00 178.31 177.31 2xaf h GLN 180 N -0.48 0.00 -0.66 1.11 5.75 0.11 0.17 115.11 121.11 2xaf h GLN 180 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2xaf h GLN 180 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2xaf h GLN 180 CO 0.04 0.02 0.00 0.43 -2.65 0.00 0.00 178.83 176.67 2xaf n SER 181 N -3.48 3.79 -1.74 -0.69 7.64 0.11 -4.25 113.62 115.00 2xaf n SER 181 Ca -0.03 -2.12 -0.14 0.00 1.01 0.00 0.00 58.87 57.59 2xaf n SER 181 Cb 0.12 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2xaf n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2xaf n ARG 182 N 1.32 -1.76 -4.65 1.43 1.74 0.60 -5.02 116.66 110.33 2xaf n ARG 182 Ca 0.23 0.66 -0.23 0.00 -0.77 0.00 0.00 57.85 57.73 2xaf n ARG 182 Cb 0.64 -4.92 -0.15 0.00 -1.02 0.00 0.00 32.46 27.00 2xaf n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2xaf s LEU 183 N -4.20 2.08 -0.10 0.55 1.43 0.19 -5.01 118.68 113.61 2xaf s LEU 183 Ca 0.06 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2xaf s LEU 183 Cb -0.03 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 2xaf s LEU 183 CO 0.07 0.16 1.78 -2.16 0.23 0.00 0.00 176.35 176.43 2xaf s PRO 184 N -0.64 3.93 0.02 1.29 0.04 -1.26 -3.58 135.00 134.80 2xaf s PRO 184 Ca 0.05 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.25 2xaf s PRO 184 Cb -0.07 -4.09 0.18 0.00 0.04 0.00 0.00 34.50 30.57 2xaf s PRO 184 CO 0.00 -1.15 1.13 -2.39 0.04 0.00 0.00 177.00 174.62 2xaf n HIS 185 N 8.16 0.05 -1.75 0.56 1.44 -1.26 -2.63 115.22 119.78 2xaf n HIS 185 Ca 0.20 0.02 0.03 0.00 -2.01 0.00 0.00 57.72 55.96 2xaf n HIS 185 Cb 0.43 -0.54 0.04 0.00 0.12 0.00 0.00 29.99 30.04 2xaf n HIS 185 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2xaf n ASP 186 N -1.55 0.61 -3.86 4.39 5.68 -1.26 -4.90 116.55 115.66 2xaf n ASP 186 Ca 0.01 -2.28 -0.11 0.00 -0.50 0.00 0.00 54.79 51.90 2xaf n ASP 186 Cb 0.03 -0.26 -0.11 0.00 -1.14 0.00 0.00 41.12 39.65 2xaf n ASP 186 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2xaf s ARG 187 N -0.75 0.35 0.16 0.11 3.52 -1.08 -5.10 118.95 116.16 2xaf s ARG 187 Ca 0.08 -0.20 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 2xaf s ARG 187 Cb 0.07 0.15 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 2xaf s ARG 187 CO 0.01 -0.07 0.79 -1.64 -0.81 0.00 0.00 175.30 173.57 2xaf s MET 188 N -0.86 4.58 0.73 5.12 -1.94 -1.26 -4.59 119.30 121.08 2xaf s MET 188 Ca -0.09 1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.94 2xaf s MET 188 Cb -0.05 -3.27 0.03 0.00 2.01 0.00 0.00 34.83 33.54 2xaf s MET 188 CO 0.01 0.54 1.09 0.95 -0.01 0.00 0.00 175.02 177.60 2xaf s THR 189 N -1.04 3.47 0.27 2.05 -4.23 -1.26 -4.84 115.64 110.06 2xaf s THR 189 Ca 0.36 0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2xaf s THR 189 Cb -0.23 -3.37 0.26 0.00 1.34 0.00 0.00 72.50 70.50 2xaf s THR 189 CO 0.26 -0.62 1.81 -1.28 -0.54 0.00 0.00 174.62 174.25 2xaf h SER 190 N -0.78 0.79 -0.22 3.99 0.87 -1.99 -0.65 113.55 115.55 2xaf h SER 190 Ca -0.45 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2xaf h SER 190 Cb 1.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2xaf h SER 190 CO 0.62 0.41 0.13 -0.61 -0.53 0.00 0.00 176.83 176.85 2xaf h GLN 191 N 0.87 0.33 0.01 2.24 5.75 -2.00 -1.74 115.11 120.56 2xaf h GLN 191 Ca 0.47 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 2xaf h GLN 191 Cb 0.50 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2xaf h GLN 191 CO -0.28 0.25 -0.06 0.93 -2.65 0.00 0.00 178.83 177.02 2xaf h GLU 192 N 0.33 0.02 -0.99 1.69 5.08 -1.64 -3.29 114.58 115.79 2xaf h GLU 192 Ca 0.09 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 2xaf h GLU 192 Cb 0.02 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 29.10 2xaf h GLU 192 CO -0.01 0.97 -0.29 0.00 -1.00 0.00 0.00 179.01 178.67 2xaf n ALA 193 N -2.59 0.13 -0.31 3.43 0.00 -0.36 -0.31 120.51 120.51 2xaf n ALA 193 Ca -0.10 1.06 0.16 0.00 0.00 0.00 0.00 53.44 54.56 2xaf n ALA 193 Cb 0.48 -0.59 0.34 0.00 0.00 0.00 0.00 19.45 19.68 2xaf n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xaf h ALA 194 N 1.80 1.50 0.00 0.00 0.00 -1.39 -1.77 119.26 119.39 2xaf h ALA 194 Ca 0.44 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.47 2xaf h ALA 194 Cb 0.68 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2xaf h ALA 194 CO -1.01 -0.47 -1.78 0.00 0.00 0.00 0.00 179.25 176.00 2xaf n PHE 196 N -2.50 2.75 0.25 0.00 3.01 0.42 -4.66 117.46 116.72 2xaf n PHE 196 Ca -0.08 -2.66 0.16 0.00 1.01 0.00 0.00 57.45 55.88 2xaf n PHE 196 Cb 0.69 -0.22 0.88 0.00 -0.01 0.00 0.00 39.48 40.81 2xaf n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2xaf h PRO 197 N 2.47 0.00 0.45 -1.08 0.13 -1.56 0.28 132.00 132.69 2xaf h PRO 197 Ca 0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.37 2xaf h PRO 197 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2xaf h PRO 197 CO 0.72 0.00 -0.35 0.38 -0.23 0.00 0.00 178.00 178.52 2xaf h ASP 198 N 0.00 -0.93 0.93 1.44 2.03 -1.88 -2.50 116.42 115.51 2xaf h ASP 198 Ca 0.04 0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.37 2xaf h ASP 198 Cb 0.26 0.30 0.01 0.00 -0.83 0.00 0.00 39.33 39.06 2xaf h ASP 198 CO -0.00 -0.52 -0.45 0.40 -1.03 0.00 0.00 179.24 177.64 2xaf h ILE 199 N -0.80 0.00 -0.03 4.15 2.04 -0.86 -2.33 117.51 119.68 2xaf h ILE 199 Ca -0.04 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2xaf h ILE 199 Cb 0.69 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2xaf h ILE 199 CO -0.00 0.00 0.05 -0.29 0.00 0.00 0.00 178.15 177.90 2xaf h ILE 200 N -1.28 0.37 0.00 -0.67 2.10 -1.55 -0.12 117.51 116.37 2xaf h ILE 200 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.81 2xaf h ILE 200 Cb 0.96 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2xaf h ILE 200 CO 0.21 0.00 -0.71 -1.54 -1.08 0.00 0.00 178.15 175.03 2xaf n SER 201 N -3.62 0.67 -1.91 2.19 3.41 -0.94 -4.94 113.62 108.48 2xaf n SER 201 Ca -0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2xaf n SER 201 Cb 0.13 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2xaf n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xaf n GLY 202 N 1.35 0.17 3.77 5.00 0.00 -0.06 -5.05 105.19 110.37 2xaf n GLY 202 Ca 0.03 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2xaf n GLY 202 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xaf s PRO 203 N -0.21 4.21 0.37 1.61 0.04 -1.26 -4.94 135.00 134.82 2xaf s PRO 203 Ca 0.00 2.43 0.13 0.00 0.04 0.00 0.00 61.00 63.60 2xaf s PRO 203 Cb 0.00 -3.03 0.96 0.00 0.04 0.00 0.00 34.50 32.47 2xaf s PRO 203 CO 0.00 -0.43 1.81 1.96 0.04 0.00 0.00 177.00 180.39 2xaf h GLN 204 N 3.70 0.53 0.57 4.56 1.08 -1.97 -1.78 115.11 121.80 2xaf h GLN 204 Ca -0.49 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 2xaf h GLN 204 Cb 1.23 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2xaf h GLN 204 CO 0.69 0.35 -0.36 0.37 -0.95 0.00 0.00 178.83 178.93 2xaf h GLN 205 N 0.54 -0.85 -0.53 1.46 5.75 -1.99 -2.67 115.11 116.81 2xaf h GLN 205 Ca 0.53 0.06 0.10 0.00 -0.15 0.00 0.00 58.65 59.19 2xaf h GLN 205 Cb 1.12 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 29.78 2xaf h GLN 205 CO -0.27 -0.57 0.04 1.79 -2.65 0.00 0.00 178.83 177.18 2xaf h THR 206 N -0.88 0.62 -0.84 2.39 1.35 -1.72 -2.06 112.91 111.77 2xaf h THR 206 Ca -0.07 -0.06 0.18 0.00 -0.55 0.00 0.00 66.41 65.91 2xaf h THR 206 Cb 0.72 0.44 -0.11 0.00 -1.73 0.00 0.00 68.15 67.47 2xaf h THR 206 CO 0.07 0.03 0.37 1.56 -0.25 0.00 0.00 175.52 177.30 2xaf h GLN 207 N 0.17 0.45 -0.84 4.72 4.20 -1.19 0.20 115.11 122.82 2xaf h GLN 207 Ca 0.27 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2xaf h GLN 207 Cb 0.41 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2xaf h GLN 207 CO -0.41 0.30 0.38 0.87 -0.67 0.00 0.00 178.83 179.30 2xaf h LYS 208 N 0.47 1.22 -0.04 1.46 1.57 -1.06 0.12 116.57 120.31 2xaf h LYS 208 Ca 0.49 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2xaf h LYS 208 Cb 0.82 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2xaf h LYS 208 CO -0.45 0.95 0.02 0.28 -0.57 0.00 0.00 179.45 179.68 2xaf h VAL 209 N 1.20 1.01 0.63 0.50 2.07 -0.41 -1.71 116.25 119.54 2xaf h VAL 209 Ca 0.29 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 2xaf h VAL 209 Cb 0.15 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2xaf h VAL 209 CO -0.03 0.01 -0.42 0.15 0.02 0.00 0.00 177.57 177.30 2xaf h PHE 210 N 0.05 -1.12 -0.44 1.57 3.57 -0.73 -1.05 116.94 118.80 2xaf h PHE 210 Ca 0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.60 2xaf h PHE 210 Cb -0.00 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 2xaf h PHE 210 CO -0.08 -0.62 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.11 2xaf h LEU 211 N -1.00 -0.69 -0.43 0.59 3.38 -0.98 0.89 115.31 117.07 2xaf h LEU 211 Ca -0.08 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2xaf h LEU 211 Cb 0.82 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 2xaf h LEU 211 CO 0.06 -0.23 -0.12 0.15 0.09 0.00 0.00 178.44 178.39 2xaf h PHE 212 N -0.11 -0.26 0.10 1.13 3.57 -0.80 0.44 116.94 121.01 2xaf h PHE 212 Ca 0.21 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2xaf h PHE 212 Cb 0.44 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2xaf h PHE 212 CO -0.46 -0.20 -0.18 0.82 -2.23 0.00 0.00 178.31 176.07 2xaf h ILE 213 N -0.02 0.60 -0.32 1.41 2.04 0.40 0.56 117.51 122.19 2xaf h ILE 213 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 2xaf h ILE 213 Cb 0.33 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2xaf h ILE 213 CO -0.45 0.00 -0.40 -0.09 0.00 0.00 0.00 178.15 177.21 2xaf h ARG 214 N -0.34 -0.26 -0.99 2.37 2.43 -0.61 0.63 114.38 117.61 2xaf h ARG 214 Ca 0.03 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 2xaf h ARG 214 Cb 0.36 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 2xaf h ARG 214 CO -0.10 -0.17 0.62 -0.91 -1.51 0.00 0.00 179.97 177.90 2xaf h ASN 215 N -0.27 0.90 0.11 -3.80 4.21 -0.19 -0.67 115.58 115.87 2xaf h ASN 215 Ca 0.06 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 2xaf h ASN 215 Cb 0.42 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2xaf h ASN 215 CO -0.44 0.47 -0.05 -0.09 -1.29 0.00 0.00 177.43 176.02 2xaf h ARG 216 N 0.97 -0.15 -0.13 0.81 9.65 0.69 0.31 114.38 126.53 2xaf h ARG 216 Ca 0.50 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.44 2xaf h ARG 216 Cb 0.51 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.07 2xaf h ARG 216 CO -0.27 0.24 -0.28 1.15 2.80 0.00 0.00 179.97 183.60 2xaf h THR 217 N -0.57 0.34 -0.83 0.20 2.02 -0.49 0.13 112.91 113.71 2xaf h THR 217 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 2xaf h THR 217 Cb 0.45 0.34 -0.13 0.00 -1.74 0.00 0.00 68.15 67.08 2xaf h THR 217 CO 0.03 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.37 2xaf h LEU 218 N -0.36 -1.71 -0.31 2.58 3.38 -1.01 0.23 115.31 118.12 2xaf h LEU 218 Ca 0.10 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.43 2xaf h LEU 218 Cb 0.51 0.80 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 2xaf h LEU 218 CO -0.33 -0.29 -0.30 -0.61 0.09 0.00 0.00 178.44 176.99 2xaf h GLN 219 N -0.09 -0.27 -0.47 1.13 4.15 0.75 0.90 115.11 121.21 2xaf h GLN 219 Ca 0.22 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.75 2xaf h GLN 219 Cb 0.53 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 2xaf h GLN 219 CO -0.86 -0.18 0.02 -0.07 -1.93 0.00 0.00 178.83 175.81 2xaf h LEU 220 N -0.28 -0.16 -0.68 -2.39 3.38 0.19 0.24 115.31 115.60 2xaf h LEU 220 Ca 0.15 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2xaf h LEU 220 Cb 0.52 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 2xaf h LEU 220 CO -0.46 -0.05 0.39 -0.25 0.09 0.00 0.00 178.44 178.16 2xaf h TRP 221 N 0.13 0.73 -0.04 1.13 2.91 0.09 -3.17 115.95 117.73 2xaf h TRP 221 Ca 0.24 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 2xaf h TRP 221 Cb 0.34 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 2xaf h TRP 221 CO -0.28 0.37 -0.03 -0.07 -1.03 0.00 0.00 178.44 177.39 2xaf h LEU 222 N 0.74 0.09 -2.31 0.65 3.38 0.18 -2.65 115.31 115.39 2xaf h LEU 222 Ca 0.30 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2xaf h LEU 222 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2xaf h LEU 222 CO -0.16 0.54 0.19 0.44 0.09 0.00 0.00 178.44 179.53 2xaf h ASP 223 N -0.35 0.00 -2.07 -0.43 3.32 -1.01 -3.26 116.42 112.61 2xaf h ASP 223 Ca 0.01 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 2xaf h ASP 223 Cb 0.51 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.73 2xaf h ASP 223 CO 0.01 0.00 -0.75 0.21 -1.72 0.00 0.00 179.24 176.98 2xaf s ASN 224 N -5.52 1.38 -0.21 6.45 2.47 -1.03 -4.98 114.94 113.51 2xaf s ASN 224 Ca -0.05 -1.96 0.15 0.00 0.42 0.00 0.00 52.86 51.42 2xaf s ASN 224 Cb 0.14 0.30 0.75 0.00 -1.45 0.00 0.00 41.25 40.99 2xaf s ASN 224 CO 0.49 -0.24 1.67 -0.81 -3.72 0.00 0.00 177.10 174.49 2xaf n PRO 225 N 3.88 4.34 -0.09 0.43 -0.04 -1.03 -4.14 135.00 138.34 2xaf n PRO 225 Ca 0.15 -3.05 0.12 0.00 -0.04 0.00 0.00 63.50 60.68 2xaf n PRO 225 Cb 0.45 -2.12 0.26 0.00 -0.04 0.00 0.00 33.50 32.05 2xaf n PRO 225 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2xaf n LYS 226 N 0.47 2.17 -3.84 0.54 5.02 -1.26 -4.65 118.16 116.61 2xaf n LYS 226 Ca 0.26 -1.74 -0.12 0.00 -2.02 0.00 0.00 58.31 54.70 2xaf n LYS 226 Cb 1.09 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 34.51 2xaf n LYS 226 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2xaf s ILE 227 N -1.77 0.03 0.49 -0.18 -4.36 -1.26 -2.41 121.20 111.74 2xaf s ILE 227 Ca 0.34 -0.24 -0.22 0.00 -0.26 0.00 0.00 60.65 60.27 2xaf s ILE 227 Cb 0.21 -0.28 -0.09 0.00 1.25 0.00 0.00 42.46 43.55 2xaf s ILE 227 CO 0.30 -0.13 0.93 1.67 0.24 0.00 0.00 174.94 177.95 2xaf n GLN 228 N 2.49 1.10 -3.95 0.37 7.27 -0.24 -4.80 117.38 119.62 2xaf n GLN 228 Ca -0.16 0.41 -0.34 0.00 0.07 0.00 0.00 57.00 56.98 2xaf n GLN 228 Cb 0.58 -2.03 -0.14 0.00 2.41 0.00 0.00 30.24 31.06 2xaf n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2xaf s LEU 229 N -0.75 4.12 0.75 1.69 2.96 -1.26 -4.90 118.68 121.28 2xaf s LEU 229 Ca 0.67 -1.57 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 2xaf s LEU 229 Cb -0.50 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2xaf s LEU 229 CO 0.54 -0.30 1.12 0.42 -1.32 0.00 0.00 176.35 176.81 2xaf s THR 230 N 1.13 2.78 0.21 3.68 -4.23 -1.26 -4.94 115.64 113.01 2xaf s THR 230 Ca -0.02 0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2xaf s THR 230 Cb -0.20 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.55 2xaf s THR 230 CO -0.04 -0.32 1.88 0.15 -0.54 0.00 0.00 174.62 175.76 2xaf h PHE 231 N -0.82 0.94 0.54 3.99 3.57 -1.98 -2.67 116.94 120.52 2xaf h PHE 231 Ca -0.45 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 2xaf h PHE 231 Cb 1.29 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.72 2xaf h PHE 231 CO 0.41 0.59 -0.26 0.93 -2.23 0.00 0.00 178.31 177.74 2xaf h GLU 232 N 1.01 -0.71 -1.60 1.11 3.07 -2.00 -2.02 114.58 113.45 2xaf h GLU 232 Ca 0.28 0.05 0.52 0.00 -0.50 0.00 0.00 59.36 59.70 2xaf h GLU 232 Cb -0.11 0.16 -0.12 0.00 -0.84 0.00 0.00 28.75 27.85 2xaf h GLU 232 CO -0.06 -0.47 1.08 0.00 -1.40 0.00 0.00 179.01 178.16 2xaf h ALA 233 N -1.46 3.21 0.36 3.43 0.00 -1.96 -0.69 119.26 122.15 2xaf h ALA 233 Ca -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2xaf h ALA 233 Cb 0.56 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2xaf h ALA 233 CO 0.12 -1.87 -0.17 1.15 0.00 0.00 0.00 179.25 178.48 2xaf h THR 234 N 0.00 0.00 -0.75 0.00 2.02 -1.13 -3.25 112.91 109.80 2xaf h THR 234 Ca 0.91 -0.34 0.15 0.00 0.77 0.00 0.00 66.41 67.90 2xaf h THR 234 Cb 3.19 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.50 2xaf h THR 234 CO -0.31 0.00 0.26 0.25 0.37 0.00 0.00 175.52 176.09 2xaf h LEU 235 N -0.82 0.18 0.00 2.58 5.85 -0.43 0.14 115.31 122.80 2xaf h LEU 235 Ca -0.05 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2xaf h LEU 235 Cb 0.37 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2xaf h LEU 235 CO 0.08 0.04 0.00 1.67 -0.34 0.00 0.00 178.44 179.89 2xaf n GLN 236 N -5.06 0.00 0.20 1.25 -0.06 -0.69 -2.20 117.38 110.82 2xaf n GLN 236 Ca 0.14 0.56 0.14 0.00 -2.00 0.00 0.00 57.00 55.85 2xaf n GLN 236 Cb 0.44 -0.85 0.47 0.00 -4.06 0.00 0.00 30.24 26.24 2xaf n GLN 236 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2xaf h GLN 237 N 0.00 0.00 -7.06 3.69 7.50 -0.81 -3.44 115.11 114.99 2xaf h GLN 237 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 2xaf h GLN 237 Cb 0.00 0.00 0.12 0.00 0.05 0.00 0.00 27.48 27.65 2xaf h GLN 237 CO 0.00 0.00 0.54 -0.51 -1.50 0.00 0.00 178.83 177.36 2xaf s LEU 238 N -5.50 3.79 0.31 1.46 1.43 -0.58 -5.04 118.68 114.56 2xaf s LEU 238 Ca 0.05 2.59 0.08 0.00 -1.03 0.00 0.00 54.13 55.81 2xaf s LEU 238 Cb 0.09 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 2xaf s LEU 238 CO 0.55 -1.55 0.23 -1.61 0.23 0.00 0.00 176.35 174.20 2xaf s GLU 239 N -3.05 2.68 0.53 1.70 0.41 -1.26 -4.73 118.70 114.99 2xaf s GLU 239 Ca 0.73 -1.29 -0.18 0.00 -0.41 0.00 0.00 54.97 53.82 2xaf s GLU 239 Cb -0.36 -2.42 -0.06 0.00 -1.78 0.00 0.00 34.13 29.50 2xaf s GLU 239 CO 0.41 0.18 1.03 0.00 -0.49 0.00 0.00 175.26 176.39 2xaf s ALA 240 N -2.29 2.86 -0.25 5.21 0.00 -1.26 0.17 121.76 126.20 2xaf s ALA 240 Ca 0.38 0.44 0.28 0.00 0.00 0.00 0.00 51.96 53.06 2xaf s ALA 240 Cb -0.06 -3.22 1.15 0.00 0.00 0.00 0.00 23.12 20.99 2xaf s ALA 240 CO 0.25 -0.49 1.82 -1.00 0.00 0.00 0.00 175.76 176.35 2xaf h PRO 241 N 1.00 0.00 0.89 0.00 0.13 -2.03 -3.45 132.00 128.53 2xaf h PRO 241 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2xaf h PRO 241 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2xaf h PRO 241 CO 0.59 0.00 -0.46 1.88 -0.23 0.00 0.00 178.00 179.78 2xaf h TYR 242 N 0.00 -1.19 0.00 1.56 0.05 -1.67 -1.63 116.97 114.09 2xaf h TYR 242 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2xaf h TYR 242 Cb 0.42 0.40 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2xaf h TYR 242 CO 0.00 -0.72 0.00 0.27 -1.05 0.00 0.00 178.16 176.66 2xaf n ASN 243 N -5.40 0.28 0.10 3.88 6.94 0.45 -3.37 115.26 118.13 2xaf n ASN 243 Ca -0.15 -0.57 -0.05 0.00 -0.02 0.00 0.00 54.58 53.79 2xaf n ASN 243 Cb 0.49 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 2xaf n ASN 243 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2xaf h SER 244 N 0.70 -0.29 -2.55 0.53 4.64 -1.51 -3.43 113.55 111.64 2xaf h SER 244 Ca 0.00 0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.78 2xaf h SER 244 Cb 0.14 0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 2xaf h SER 244 CO 0.00 0.17 1.03 -0.62 -0.87 0.00 0.00 176.83 176.54 2xaf s ASP 245 N -5.14 6.22 0.41 4.97 -1.08 -1.22 -4.89 116.67 115.94 2xaf s ASP 245 Ca -0.05 -0.34 0.23 0.00 -0.52 0.00 0.00 52.55 51.86 2xaf s ASP 245 Cb 0.00 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.21 2xaf s ASP 245 CO 0.15 -1.75 1.55 0.71 0.52 0.00 0.00 175.17 176.35 2xaf h THR 246 N 6.06 0.01 0.00 1.71 1.35 -1.88 -2.98 112.91 117.17 2xaf h THR 246 Ca -0.27 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 2xaf h THR 246 Cb 1.05 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 2xaf h THR 246 CO 1.26 0.01 -0.28 -0.37 -0.25 0.00 0.00 175.52 175.88 2xaf h VAL 247 N 0.00 1.19 0.36 6.82 -1.51 -1.99 0.26 116.25 121.38 2xaf h VAL 247 Ca -0.00 -0.97 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 2xaf h VAL 247 Cb 1.01 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2xaf h VAL 247 CO 0.00 0.28 -0.17 0.25 -1.23 0.00 0.00 177.57 176.69 2xaf h LEU 248 N 0.00 -0.41 -1.48 4.19 5.85 -1.96 -0.09 115.31 121.42 2xaf h LEU 248 Ca -0.00 0.01 0.35 0.00 0.84 0.00 0.00 57.88 59.08 2xaf h LEU 248 Cb 0.50 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 2xaf h LEU 248 CO 0.04 -0.22 0.78 0.58 -0.34 0.00 0.00 178.44 179.28 2xaf h VAL 249 N -0.63 0.35 0.07 1.05 2.07 -1.40 0.52 116.25 118.28 2xaf h VAL 249 Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2xaf h VAL 249 Cb 0.37 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2xaf h VAL 249 CO 0.08 0.04 -0.04 -0.74 0.02 0.00 0.00 177.57 176.93 2xaf h HIS 250 N 0.22 -0.09 -1.06 1.57 -0.00 -0.95 -0.99 115.15 113.85 2xaf h HIS 250 Ca 0.68 -0.00 0.28 0.00 -0.00 0.00 0.00 60.37 61.33 2xaf h HIS 250 Cb 2.06 0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 29.41 2xaf h HIS 250 CO -0.00 0.46 0.68 0.00 -0.00 0.00 0.00 177.93 179.07 2xaf h ARG 251 N -0.75 0.35 0.03 5.26 3.08 0.19 -1.41 114.38 121.12 2xaf h ARG 251 Ca -0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 2xaf h ARG 251 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2xaf h ARG 251 CO 0.02 0.23 -0.58 0.28 -1.07 0.00 0.00 179.97 178.84 2xaf h VAL 252 N 0.36 1.45 -0.71 2.04 2.07 -0.74 -2.39 116.25 118.33 2xaf h VAL 252 Ca 0.60 -2.34 0.13 0.00 0.82 0.00 0.00 66.70 65.92 2xaf h VAL 252 Cb 1.59 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 34.31 2xaf h VAL 252 CO -0.29 0.56 0.47 -0.74 0.02 0.00 0.00 177.57 177.59 2xaf h HIS 253 N -0.84 0.47 0.15 1.57 -0.00 -0.83 -1.32 115.15 114.34 2xaf h HIS 253 Ca -0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 2xaf h HIS 253 Cb 1.24 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 2xaf h HIS 253 CO 0.21 0.20 -0.07 0.77 -0.00 0.00 0.00 177.93 179.03 2xaf h SER 254 N 0.42 -0.17 -0.60 3.26 0.02 -1.30 -1.75 113.55 113.42 2xaf h SER 254 Ca 0.34 -0.37 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2xaf h SER 254 Cb 0.74 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 63.21 2xaf h SER 254 CO -0.10 0.36 -0.22 0.22 -1.14 0.00 0.00 176.83 175.94 2xaf h TYR 255 N -0.79 -0.54 -0.51 3.45 3.20 -0.95 0.15 116.97 120.98 2xaf h TYR 255 Ca -0.02 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2xaf h TYR 255 Cb 0.53 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 2xaf h TYR 255 CO 0.08 -0.32 0.22 -0.07 -1.64 0.00 0.00 178.16 176.44 2xaf h LEU 256 N -0.07 0.27 -0.51 2.82 3.38 -1.24 -2.14 115.31 117.82 2xaf h LEU 256 Ca 0.28 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 2xaf h LEU 256 Cb 0.50 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2xaf h LEU 256 CO -0.65 0.18 -0.02 -0.08 0.09 0.00 0.00 178.44 177.96 2xaf h GLU 257 N 0.42 0.91 -0.14 1.13 4.81 0.10 -2.36 114.58 119.45 2xaf h GLU 257 Ca 0.24 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2xaf h GLU 257 Cb 0.22 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2xaf h GLU 257 CO -0.21 0.95 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.87 2xaf h ARG 258 N 0.77 -0.03 -0.94 1.92 9.65 -0.58 -2.61 114.38 122.58 2xaf h ARG 258 Ca 0.14 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.81 2xaf h ARG 258 Cb 0.55 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 29.01 2xaf h ARG 258 CO 0.03 -0.02 0.27 0.72 2.80 0.00 0.00 179.97 183.77 2xaf n HIS 259 N -5.19 1.58 -2.70 2.20 8.25 -0.83 -4.02 115.22 114.51 2xaf n HIS 259 Ca -0.04 -1.03 -0.21 0.00 -0.26 0.00 0.00 57.72 56.19 2xaf n HIS 259 Cb 0.11 -0.56 0.01 0.00 1.12 0.00 0.00 29.99 30.67 2xaf n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xaf n GLY 260 N -0.22 -0.51 0.09 -1.41 0.00 -0.98 -4.79 105.19 97.37 2xaf n GLY 260 Ca 0.29 0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 2xaf n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xaf h LEU 261 N -0.59 0.00 -8.22 0.99 3.38 -1.67 -3.43 115.31 105.76 2xaf h LEU 261 Ca -0.48 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.19 2xaf h LEU 261 Cb 1.35 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.89 2xaf h LEU 261 CO 0.55 0.78 -0.74 0.27 0.09 0.00 0.00 178.44 179.39 2xaf s ILE 262 N -2.78 0.64 -0.95 1.22 -4.36 -1.23 -4.86 121.20 108.89 2xaf s ILE 262 Ca -0.03 -1.16 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 2xaf s ILE 262 Cb 0.08 -0.73 0.00 0.00 1.25 0.00 0.00 42.46 43.06 2xaf s ILE 262 CO 0.81 -0.38 0.70 0.59 0.24 0.00 0.00 174.94 176.90 2xaf n ASN 263 N 1.36 -5.57 -4.49 4.36 3.02 -1.26 -4.53 115.26 108.15 2xaf n ASN 263 Ca -0.22 -0.83 -0.23 0.00 -0.03 0.00 0.00 54.58 53.27 2xaf n ASN 263 Cb 0.55 -3.00 -0.11 0.00 -0.61 0.00 0.00 39.78 36.61 2xaf n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2xaf s PHE 264 N -3.20 2.14 0.00 3.10 -0.12 -1.26 -4.90 117.98 113.73 2xaf s PHE 264 Ca 0.21 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 2xaf s PHE 264 Cb -0.08 -1.32 0.00 0.00 -0.63 0.00 0.00 43.02 40.99 2xaf s PHE 264 CO 0.86 0.31 0.00 0.41 -0.05 0.00 0.00 175.22 176.75 2xaf n GLY 265 N -0.71 0.31 3.00 1.99 0.00 -1.26 -4.55 105.19 103.96 2xaf n GLY 265 Ca -0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2xaf n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xaf s ILE 266 N 0.00 2.84 0.43 -0.61 1.01 -1.26 -4.98 121.20 118.63 2xaf s ILE 266 Ca 0.00 -3.07 0.07 0.00 0.00 0.00 0.00 60.65 57.66 2xaf s ILE 266 Cb 0.00 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2xaf s ILE 266 CO 0.00 -0.79 0.33 -0.72 0.00 0.00 0.00 174.94 173.77 2xaf s TYR 267 N -0.03 2.58 -0.13 3.97 1.13 -1.26 -4.84 117.35 118.76 2xaf s TYR 267 Ca 0.16 -0.55 -0.17 0.00 -1.41 0.00 0.00 57.07 55.09 2xaf s TYR 267 Cb -0.24 -2.10 -0.04 0.00 -1.10 0.00 0.00 41.96 38.49 2xaf s TYR 267 CO -0.02 -0.08 0.45 0.15 -2.51 0.00 0.00 175.55 173.53 2xaf s LYS 268 N -4.09 4.31 0.26 -3.49 1.02 -1.01 -4.87 119.74 111.86 2xaf s LYS 268 Ca 0.45 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 2xaf s LYS 268 Cb -0.01 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 2xaf s LYS 268 CO 0.26 0.14 1.30 0.50 -0.92 0.00 0.00 175.35 176.63 2xaf s ARG 269 N 0.71 4.39 -0.12 1.68 3.52 -1.26 -1.08 118.95 126.78 2xaf s ARG 269 Ca 0.24 2.11 -0.07 0.00 -0.13 0.00 0.00 55.73 57.88 2xaf s ARG 269 Cb -0.15 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2xaf s ARG 269 CO 0.09 -0.21 -0.14 0.82 -0.81 0.00 0.00 175.30 175.05 2xaf h ILE 270 N 3.42 0.00 -2.79 4.11 2.04 -1.97 -3.45 117.51 118.87 2xaf h ILE 270 Ca -0.46 -0.92 -0.59 0.00 1.00 0.00 0.00 64.86 63.89 2xaf h ILE 270 Cb 1.22 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 2xaf h ILE 270 CO 0.72 0.00 0.77 -0.54 0.00 0.00 0.00 178.15 179.10 2xaf s LYS 271 N -2.04 3.25 1.08 2.37 3.01 -1.26 -5.04 119.74 121.10 2xaf s LYS 271 Ca -0.12 -0.35 -0.14 0.00 -1.01 0.00 0.00 55.97 54.36 2xaf s LYS 271 Cb 0.02 -4.14 0.17 0.00 -1.01 0.00 0.00 37.83 32.87 2xaf s LYS 271 CO 0.17 -1.81 0.66 -2.30 0.51 0.00 0.00 175.35 172.58 2xaf n PRO 272 N 8.25 -1.50 -1.96 -1.68 -0.02 -1.26 -4.80 135.00 132.02 2xaf n PRO 272 Ca 0.01 -0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 60.67 2xaf n PRO 272 Cb 0.48 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2xaf n PRO 272 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xaf s LEU 273 N -4.47 3.86 0.00 2.45 1.43 -1.26 -4.81 118.68 115.89 2xaf s LEU 273 Ca 0.63 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 2xaf s LEU 273 Cb -0.21 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2xaf s LEU 273 CO 0.65 -1.38 0.00 -2.65 0.23 0.00 0.00 176.35 173.19 2xaf n PRO 274 N 7.89 0.00 0.00 1.29 -0.02 -1.26 -4.78 135.00 138.11 2xaf n PRO 274 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2xaf n PRO 274 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2xaf n PRO 274 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2xaf n THR 275 N 0.00 0.00 -4.58 3.45 5.66 -1.26 -4.16 114.28 113.39 2xaf n THR 275 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2xaf n THR 275 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2xaf n THR 275 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2xaf s LYS 276 N -2.83 2.25 0.51 1.09 2.20 -1.26 -5.14 119.74 116.56 2xaf s LYS 276 Ca 0.00 -0.89 0.05 0.00 -0.36 0.00 0.00 55.97 54.77 2xaf s LYS 276 Cb 0.00 -2.30 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2xaf s LYS 276 CO 0.00 0.56 0.70 0.15 -0.36 0.00 0.00 175.35 176.41 2xaf s LYS 277 N -1.44 2.58 -0.03 4.03 1.02 -1.26 -5.04 119.74 119.60 2xaf s LYS 277 Ca 0.16 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 55.07 2xaf s LYS 277 Cb -0.11 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2xaf s LYS 277 CO 0.06 -0.59 -0.03 0.99 -0.92 0.00 0.00 175.35 174.86 2xaf s THR 278 N -2.60 0.36 0.53 2.17 2.01 -1.13 -4.97 115.64 112.00 2xaf s THR 278 Ca 0.57 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2xaf s THR 278 Cb -0.09 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2xaf s THR 278 CO 0.37 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 2xaf n GLY 279 N 3.80 -3.42 3.05 4.40 0.00 -1.26 -3.91 105.19 107.84 2xaf n GLY 279 Ca -0.23 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 2xaf n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xaf s LYS 280 N -4.36 1.57 -0.07 1.61 2.47 -1.26 -1.91 119.74 117.78 2xaf s LYS 280 Ca 0.00 -0.44 0.02 0.00 -1.56 0.00 0.00 55.97 53.99 2xaf s LYS 280 Cb 0.00 -1.34 0.01 0.00 -1.46 0.00 0.00 37.83 35.04 2xaf s LYS 280 CO 0.00 0.11 -0.13 0.08 0.16 0.00 0.00 175.35 175.56 2xaf s VAL 281 N 0.39 1.24 -0.10 4.02 1.01 0.76 -0.11 120.40 127.61 2xaf s VAL 281 Ca -0.09 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2xaf s VAL 281 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2xaf s VAL 281 CO 0.03 0.38 0.14 -0.63 0.00 0.00 0.00 175.10 175.01 2xaf s ILE 282 N 0.67 5.40 -0.18 2.22 -1.09 -0.81 -1.81 121.20 125.60 2xaf s ILE 282 Ca -0.14 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 2xaf s ILE 282 Cb -0.16 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 2xaf s ILE 282 CO 0.04 0.57 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.65 2xaf s ILE 283 N -1.07 1.12 -0.44 2.92 1.01 -0.18 -0.62 121.20 123.94 2xaf s ILE 283 Ca 0.17 -0.73 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 2xaf s ILE 283 Cb -0.12 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.02 2xaf s ILE 283 CO 0.06 0.04 0.86 -0.63 0.00 0.00 0.00 174.94 175.27 2xaf s ILE 284 N 1.62 4.57 0.00 2.92 1.01 -0.13 -1.00 121.20 130.18 2xaf s ILE 284 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.30 2xaf s ILE 284 Cb -0.16 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.94 2xaf s ILE 284 CO -0.07 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.74 2xaf n GLY 285 N 4.89 1.56 1.77 6.18 0.00 0.42 -0.53 105.19 119.47 2xaf n GLY 285 Ca 0.04 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 2xaf n GLY 285 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xaf n SER 286 N -0.05 4.52 -4.01 1.61 3.41 -1.26 -4.24 113.62 113.59 2xaf n SER 286 Ca 0.00 -3.77 -0.29 0.00 -0.26 0.00 0.00 58.87 54.54 2xaf n SER 286 Cb 0.00 -0.64 0.25 0.00 -0.26 0.00 0.00 64.21 63.56 2xaf n SER 286 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2xaf s GLY 287 N -2.64 1.52 0.15 5.00 0.00 -1.26 -1.18 107.32 108.92 2xaf s GLY 287 Ca 0.52 -0.65 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 2xaf s GLY 287 CO 0.01 0.19 1.63 -2.08 0.00 0.00 0.00 173.10 172.85 2xaf h VAL 288 N -2.71 0.39 -0.56 1.40 2.07 -1.94 0.10 116.25 115.01 2xaf h VAL 288 Ca -0.50 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.13 2xaf h VAL 288 Cb 1.32 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.38 2xaf h VAL 288 CO 0.40 0.00 -0.16 0.77 0.02 0.00 0.00 177.57 178.61 2xaf h SER 289 N -0.24 -0.57 0.00 0.57 4.64 -1.90 0.58 113.55 116.64 2xaf h SER 289 Ca 0.14 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2xaf h SER 289 Cb 0.46 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2xaf h SER 289 CO -0.39 -0.20 0.00 0.61 -0.87 0.00 0.00 176.83 175.98 2xaf n GLY 290 N -1.40 -2.95 0.27 -0.77 0.00 -0.16 -1.91 105.19 98.27 2xaf n GLY 290 Ca 0.06 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.50 2xaf n GLY 290 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xaf h LEU 291 N 0.00 0.13 -0.24 0.99 3.38 0.04 -1.06 115.31 118.55 2xaf h LEU 291 Ca 0.00 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2xaf h LEU 291 Cb 0.00 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2xaf h LEU 291 CO 0.00 0.02 0.08 0.00 0.09 0.00 0.00 178.44 178.63 2xaf h ALA 292 N 1.58 0.26 -0.28 1.53 0.00 0.25 -0.37 119.26 122.24 2xaf h ALA 292 Ca 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2xaf h ALA 292 Cb 0.68 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2xaf h ALA 292 CO -0.46 -0.34 0.13 0.00 0.00 0.00 0.00 179.25 178.58 2xaf h ALA 293 N 1.15 0.36 -0.12 0.00 0.00 -0.74 -2.63 119.26 117.27 2xaf h ALA 293 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2xaf h ALA 293 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2xaf h ALA 293 CO -0.11 -0.07 -0.35 0.00 0.00 0.00 0.00 179.25 178.71 2xaf h ALA 294 N 0.98 -0.71 -0.89 0.00 0.00 -0.59 -0.48 119.26 117.58 2xaf h ALA 294 Ca 0.09 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.15 2xaf h ALA 294 Cb 0.13 0.88 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 2xaf h ALA 294 CO -0.01 -0.85 -0.21 0.00 0.00 0.00 0.00 179.25 178.18 2xaf h ARG 295 N -0.36 0.00 -0.03 0.00 3.08 -1.05 0.16 114.38 116.19 2xaf h ARG 295 Ca 0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2xaf h ARG 295 Cb 0.43 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2xaf h ARG 295 CO -0.30 0.00 -0.13 1.96 -1.07 0.00 0.00 179.97 180.43 2xaf h GLN 296 N 0.00 -0.20 0.43 0.04 1.08 -0.99 0.18 115.11 115.65 2xaf h GLN 296 Ca 0.43 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2xaf h GLN 296 Cb 0.66 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2xaf h GLN 296 CO -0.91 -0.13 -0.21 -0.07 -0.95 0.00 0.00 178.83 176.56 2xaf h LEU 297 N -0.21 -0.49 -0.50 1.46 3.38 0.77 0.52 115.31 120.25 2xaf h LEU 297 Ca 0.06 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2xaf h LEU 297 Cb 0.28 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 2xaf h LEU 297 CO -0.15 -0.27 -0.15 -0.61 0.09 0.00 0.00 178.44 177.35 2xaf h GLN 298 N -0.68 -0.03 -1.08 1.13 4.15 -0.77 0.56 115.11 118.38 2xaf h GLN 298 Ca -0.06 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.67 2xaf h GLN 298 Cb 0.50 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 2xaf h GLN 298 CO 0.10 -0.02 0.77 1.03 -1.93 0.00 0.00 178.83 178.78 2xaf h SER 299 N -0.03 0.06 -0.28 -0.69 0.87 0.11 0.31 113.55 113.90 2xaf h SER 299 Ca 0.24 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2xaf h SER 299 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2xaf h SER 299 CO -0.53 0.01 0.00 0.49 -0.53 0.00 0.00 176.83 176.27 2xaf n PHE 300 N -4.27 0.36 -2.53 2.24 3.72 0.19 -4.94 117.46 112.25 2xaf n PHE 300 Ca 0.23 -0.18 -0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2xaf n PHE 300 Cb 1.12 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.67 2xaf n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xaf n GLY 301 N 1.15 -0.76 3.35 1.37 0.00 0.11 -4.96 105.19 105.45 2xaf n GLY 301 Ca 0.15 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 2xaf n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2xaf s MET 302 N -3.26 1.33 -0.31 1.61 -1.94 -1.12 -2.82 119.30 112.79 2xaf s MET 302 Ca 0.09 -1.63 -0.22 0.00 -1.71 0.00 0.00 55.69 52.22 2xaf s MET 302 Cb -0.01 -0.95 -0.00 0.00 2.01 0.00 0.00 34.83 35.88 2xaf s MET 302 CO 0.48 0.08 0.71 0.34 -0.01 0.00 0.00 175.02 176.62 2xaf s ASP 303 N -3.32 6.57 -0.07 3.03 -1.08 -0.80 -4.48 116.67 116.52 2xaf s ASP 303 Ca 0.24 0.52 0.02 0.00 -0.52 0.00 0.00 52.55 52.81 2xaf s ASP 303 Cb 0.02 -2.37 0.01 0.00 -1.46 0.00 0.00 42.92 39.13 2xaf s ASP 303 CO 0.07 -0.56 -0.12 -0.69 0.52 0.00 0.00 175.17 174.38 2xaf s VAL 304 N 2.81 1.19 -0.01 1.11 1.01 -1.26 -0.17 120.40 125.07 2xaf s VAL 304 Ca 0.29 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2xaf s VAL 304 Cb -0.14 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 2xaf s VAL 304 CO 0.13 0.37 -0.10 -0.89 0.00 0.00 0.00 175.10 174.60 2xaf s THR 305 N 0.78 0.84 -0.14 3.92 2.01 -0.75 -4.34 115.64 117.96 2xaf s THR 305 Ca -0.12 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 2xaf s THR 305 Cb -0.15 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2xaf s THR 305 CO 0.02 0.25 0.02 -0.76 -0.69 0.00 0.00 174.62 173.46 2xaf s LEU 306 N -0.10 3.63 -0.23 4.42 1.02 -0.20 -1.01 118.68 126.22 2xaf s LEU 306 Ca 0.02 0.08 -0.06 0.00 0.02 0.00 0.00 54.13 54.19 2xaf s LEU 306 Cb -0.06 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 2xaf s LEU 306 CO -0.00 0.26 0.02 -0.76 0.02 0.00 0.00 176.35 175.89 2xaf s LEU 307 N -0.16 3.22 -0.09 1.79 1.43 -0.17 -0.39 118.68 124.30 2xaf s LEU 307 Ca 0.06 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2xaf s LEU 307 Cb -0.12 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2xaf s LEU 307 CO 0.02 -0.02 -0.17 -0.70 0.23 0.00 0.00 176.35 175.72 2xaf s GLU 308 N 1.49 2.28 0.21 1.70 2.56 -0.73 -0.44 118.70 125.77 2xaf s GLU 308 Ca 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 54.97 54.40 2xaf s GLU 308 Cb -0.15 -1.85 0.18 0.00 2.00 0.00 0.00 34.13 34.31 2xaf s GLU 308 CO 0.01 0.02 1.58 0.00 -0.56 0.00 0.00 175.26 176.31 2xaf h ALA 309 N 7.12 0.82 -2.05 6.30 0.00 -1.79 0.12 119.26 129.78 2xaf h ALA 309 Ca -0.28 -0.43 -0.44 0.00 0.00 0.00 0.00 54.91 53.76 2xaf h ALA 309 Cb 1.19 -0.12 0.17 0.00 0.00 0.00 0.00 17.79 19.04 2xaf h ALA 309 CO 0.48 0.64 0.35 1.03 0.00 0.00 0.00 179.25 181.76 2xaf s ARG 310 N -4.31 0.26 -0.22 0.00 0.52 -1.26 -3.63 118.95 110.31 2xaf s ARG 310 Ca -0.08 -0.30 0.15 0.00 -0.52 0.00 0.00 55.73 54.98 2xaf s ARG 310 Cb 0.12 -1.79 0.68 0.00 0.52 0.00 0.00 34.95 34.48 2xaf s ARG 310 CO 0.83 -2.69 1.60 -0.40 0.02 0.00 0.00 175.30 174.67 2xaf n ASP 311 N -3.98 4.78 -3.72 0.23 5.75 -1.26 0.18 116.55 118.53 2xaf n ASP 311 Ca 0.14 -3.02 -0.11 0.00 -0.01 0.00 0.00 54.79 51.80 2xaf n ASP 311 Cb 0.59 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 2xaf n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xaf s ARG 312 N -2.83 0.94 0.92 0.11 1.70 -1.26 -4.96 118.95 113.57 2xaf s ARG 312 Ca 0.49 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 54.91 2xaf s ARG 312 Cb 0.39 0.41 0.22 0.00 -0.57 0.00 0.00 34.95 35.40 2xaf s ARG 312 CO 0.12 -0.34 0.96 1.33 -1.08 0.00 0.00 175.30 176.30 2xaf n VAL 313 N 0.07 0.00 0.00 4.99 0.24 -1.26 -4.66 118.33 117.70 2xaf n VAL 313 Ca -0.17 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2xaf n VAL 313 Cb 0.62 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 2xaf n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2xaf n GLY 314 N -2.90 3.42 7.00 7.63 0.00 -0.32 -4.92 105.19 115.10 2xaf n GLY 314 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2xaf n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xaf n GLY 315 N -1.87 3.17 0.26 -0.02 0.00 -1.26 -1.26 105.19 104.21 2xaf n GLY 315 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2xaf n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xaf n ARG 316 N 14.00 0.38 -3.45 1.61 1.74 -1.26 -3.64 116.66 126.04 2xaf n ARG 316 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2xaf n ARG 316 Cb 0.00 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2xaf n ARG 316 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2xaf n VAL 317 N -0.08 3.40 -3.08 1.55 0.31 -0.39 -2.80 118.33 117.24 2xaf n VAL 317 Ca 0.00 -5.32 -0.38 0.00 -0.01 0.00 0.00 64.34 58.63 2xaf n VAL 317 Cb 0.05 -2.25 -0.06 0.00 -0.91 0.00 0.00 33.84 30.67 2xaf n VAL 317 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2xaf s ALA 318 N -1.95 3.46 -0.05 3.52 0.00 -1.24 -4.55 121.76 120.96 2xaf s ALA 318 Ca 0.31 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2xaf s ALA 318 Cb 0.01 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2xaf s ALA 318 CO -0.05 0.33 -0.04 0.99 0.00 0.00 0.00 175.76 176.99 2xaf s THR 319 N -1.28 0.55 -0.08 0.00 2.01 -1.26 -1.65 115.64 113.92 2xaf s THR 319 Ca 0.37 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 2xaf s THR 319 Cb -0.20 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2xaf s THR 319 CO 0.23 0.24 0.60 0.12 -0.69 0.00 0.00 174.62 175.12 2xaf s PHE 320 N 1.10 3.56 0.01 4.92 5.36 0.17 -4.90 117.98 128.19 2xaf s PHE 320 Ca -0.08 1.10 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 2xaf s PHE 320 Cb -0.14 -2.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.84 2xaf s PHE 320 CO -0.01 0.14 -0.13 1.03 -1.46 0.00 0.00 175.22 174.78 2xaf s ARG 321 N 0.67 1.00 -0.30 10.12 0.52 -1.26 -1.01 118.95 128.68 2xaf s ARG 321 Ca 0.32 -0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 54.78 2xaf s ARG 321 Cb -0.17 -0.98 0.19 0.00 0.52 0.00 0.00 34.95 34.51 2xaf s ARG 321 CO 0.15 0.26 1.19 0.21 0.02 0.00 0.00 175.30 177.12 2xaf s LYS 322 N -0.65 0.13 3.29 3.54 2.20 -0.89 -5.01 119.74 122.35 2xaf s LYS 322 Ca 0.04 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2xaf s LYS 322 Cb -0.06 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2xaf s LYS 322 CO 0.00 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2xaf n GLY 323 N 3.83 2.86 0.48 5.54 0.00 -1.26 -0.09 105.19 116.55 2xaf n GLY 323 Ca -0.13 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2xaf n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xaf n ASN 324 N 5.36 2.05 -4.74 1.61 3.02 -1.26 -4.93 115.26 116.37 2xaf n ASN 324 Ca 0.00 -1.53 -0.41 0.00 -0.03 0.00 0.00 54.58 52.61 2xaf n ASN 324 Cb 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2xaf n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2xaf s TYR 325 N -0.96 3.18 -0.25 3.10 2.02 0.88 -4.58 117.35 120.74 2xaf s TYR 325 Ca 0.14 1.18 -0.03 0.00 -0.37 0.00 0.00 57.07 57.99 2xaf s TYR 325 Cb 0.10 -3.67 0.14 0.00 -0.40 0.00 0.00 41.96 38.13 2xaf s TYR 325 CO 0.14 -2.09 0.42 0.08 -1.57 0.00 0.00 175.55 172.53 2xaf s VAL 326 N 0.01 -0.68 -0.19 0.71 1.01 -1.25 -2.09 120.40 117.92 2xaf s VAL 326 Ca 0.57 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 2xaf s VAL 326 Cb -0.38 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.24 2xaf s VAL 326 CO 0.40 -0.08 0.44 0.00 0.00 0.00 0.00 175.10 175.86 2xaf s ALA 327 N 2.61 -1.16 0.35 5.51 0.00 -0.18 -4.86 121.76 124.02 2xaf s ALA 327 Ca 0.12 1.61 -0.28 0.00 0.00 0.00 0.00 51.96 53.41 2xaf s ALA 327 Cb -0.15 -1.09 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 2xaf s ALA 327 CO -0.16 -0.42 1.24 -0.51 0.00 0.00 0.00 175.76 175.90 2xaf s ASP 328 N 1.77 6.75 0.00 0.00 1.01 -1.26 0.43 116.67 125.37 2xaf s ASP 328 Ca -0.07 2.53 0.11 0.00 0.71 0.00 0.00 52.55 55.83 2xaf s ASP 328 Cb -0.09 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.23 2xaf s ASP 328 CO -0.13 -0.53 0.74 0.18 0.21 0.00 0.00 175.17 175.63 2xaf n LEU 329 N 0.63 1.52 0.00 1.23 4.32 -0.66 -4.87 117.00 119.17 2xaf n LEU 329 Ca 0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 56.01 55.15 2xaf n LEU 329 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 2xaf n LEU 329 CO 0.56 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.63 2xaf n GLY 330 N 0.83 1.34 3.66 -0.72 0.00 -1.02 -4.77 105.19 104.50 2xaf n GLY 330 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2xaf n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaf s ALA 331 N -2.73 0.97 0.00 4.61 0.00 -1.12 -4.90 121.76 118.59 2xaf s ALA 331 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2xaf s ALA 331 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2xaf s ALA 331 CO 0.00 -2.82 0.00 -0.12 0.00 0.00 0.00 175.76 172.82 2xaf n MET 332 N -4.20 0.00 -4.59 0.00 1.56 -1.26 -4.76 117.12 103.86 2xaf n MET 332 Ca 0.06 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.15 2xaf n MET 332 Cb 0.55 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.80 2xaf n MET 332 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2xaf s VAL 333 N -0.99 3.66 -0.10 1.12 1.01 -1.26 -2.89 120.40 120.95 2xaf s VAL 333 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2xaf s VAL 333 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2xaf s VAL 333 CO 0.00 0.56 0.28 -0.69 0.00 0.00 0.00 175.10 175.25 2xaf s VAL 334 N -0.35 5.28 -0.78 2.92 1.01 -0.52 -4.93 120.40 123.03 2xaf s VAL 334 Ca 0.05 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2xaf s VAL 334 Cb -0.12 -3.58 0.24 0.00 0.00 0.00 0.00 36.38 32.91 2xaf s VAL 334 CO 0.02 0.52 2.27 0.35 0.00 0.00 0.00 175.10 178.26 2xaf n THR 335 N 2.56 3.94 0.00 3.92 -2.24 -1.26 -1.17 114.28 120.03 2xaf n THR 335 Ca -0.15 -4.10 0.00 0.00 -2.27 0.00 0.00 64.05 57.53 2xaf n THR 335 Cb 0.53 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2xaf n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xaf n GLY 336 N 0.13 -1.12 0.05 3.38 0.00 -1.25 -4.46 105.19 101.91 2xaf n GLY 336 Ca 0.52 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 45.46 2xaf n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xaf n LEU 337 N -0.42 0.48 -4.58 0.99 4.77 -1.17 -4.44 117.00 112.63 2xaf n LEU 337 Ca 0.00 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2xaf n LEU 337 Cb 0.00 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 2xaf n LEU 337 CO 0.00 -0.08 1.17 -0.83 -1.33 0.00 0.00 177.39 176.32 2xaf s GLY 338 N -3.33 -0.89 0.00 -0.72 0.00 0.11 -0.92 107.32 101.56 2xaf s GLY 338 Ca 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2xaf s GLY 338 CO 0.59 4.17 0.00 0.61 0.00 0.00 0.00 173.10 178.48 2xaf n GLY 339 N 6.23 0.83 3.65 0.20 0.00 -1.26 -3.12 105.19 111.71 2xaf n GLY 339 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2xaf n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xaf s ASN 340 N -2.32 6.75 0.44 1.61 3.84 -0.10 -4.59 114.94 120.56 2xaf s ASN 340 Ca 0.00 0.92 0.21 0.00 0.21 0.00 0.00 52.86 54.19 2xaf s ASN 340 Cb 0.00 -2.38 1.18 0.00 -0.55 0.00 0.00 41.25 39.49 2xaf s ASN 340 CO 0.00 -0.36 1.85 1.55 -2.79 0.00 0.00 177.10 177.35 2xaf h PRO 341 N 7.56 0.30 -0.16 0.43 0.13 -1.88 0.30 132.00 138.67 2xaf h PRO 341 Ca -0.29 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.87 2xaf h PRO 341 Cb 1.13 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2xaf h PRO 341 CO 0.80 0.20 0.13 0.52 -0.23 0.00 0.00 178.00 179.42 2xaf h MET 342 N 0.31 0.00 -0.91 0.86 2.86 -1.94 0.59 114.93 116.71 2xaf h MET 342 Ca 0.48 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.37 2xaf h MET 342 Cb 1.34 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.85 2xaf h MET 342 CO -0.16 0.00 0.20 0.00 1.06 0.00 0.00 176.91 178.01 2xaf h ALA 343 N 1.90 1.30 0.11 6.32 0.00 -0.69 0.52 119.26 128.72 2xaf h ALA 343 Ca 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2xaf h ALA 343 Cb 0.33 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2xaf h ALA 343 CO -0.00 -0.53 -0.05 0.28 0.00 0.00 0.00 179.25 178.95 2xaf h VAL 344 N 0.14 1.09 -1.00 0.00 2.07 -1.01 -3.16 116.25 114.38 2xaf h VAL 344 Ca 0.58 -1.19 0.21 0.00 0.82 0.00 0.00 66.70 67.12 2xaf h VAL 344 Cb 1.22 1.80 -0.11 0.00 -1.52 0.00 0.00 31.29 32.68 2xaf h VAL 344 CO -0.73 0.27 0.61 0.58 0.02 0.00 0.00 177.57 178.32 2xaf h VAL 345 N -0.74 0.65 -0.66 2.57 2.07 -1.30 -0.08 116.25 118.77 2xaf h VAL 345 Ca -0.01 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2xaf h VAL 345 Cb 0.55 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2xaf h VAL 345 CO 0.02 0.12 0.43 0.77 0.02 0.00 0.00 177.57 178.94 2xaf h SER 346 N 0.67 0.72 0.30 0.57 4.64 0.03 0.38 113.55 120.85 2xaf h SER 346 Ca 0.59 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.69 2xaf h SER 346 Cb 1.04 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2xaf h SER 346 CO -0.38 0.51 -0.82 0.11 -0.87 0.00 0.00 176.83 175.38 2xaf h LYS 347 N 0.84 0.40 -0.03 4.77 1.57 -1.04 -3.32 116.57 119.76 2xaf h LYS 347 Ca 0.25 -0.37 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 2xaf h LYS 347 Cb -0.03 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2xaf h LYS 347 CO -0.06 1.03 -0.76 1.96 -0.57 0.00 0.00 179.45 181.04 2xaf h GLN 348 N 0.26 0.22 -6.74 3.15 4.20 0.46 -3.45 115.11 113.21 2xaf h GLN 348 Ca -0.05 -0.20 -0.69 0.00 0.06 0.00 0.00 58.65 57.77 2xaf h GLN 348 Cb 1.42 0.05 -0.23 0.00 0.30 0.00 0.00 27.48 29.02 2xaf h GLN 348 CO 0.14 0.88 -0.84 0.08 -0.67 0.00 0.00 178.83 178.41 2xaf s VAL 349 N -3.44 2.46 -1.03 -0.54 1.01 0.11 -4.98 120.40 113.99 2xaf s VAL 349 Ca -0.03 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 2xaf s VAL 349 Cb 0.11 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2xaf s VAL 349 CO 0.82 0.24 1.74 0.21 0.00 0.00 0.00 175.10 178.11 2xaf s ASN 350 N -1.66 5.83 -0.09 3.32 2.47 -1.26 -4.64 114.94 118.90 2xaf s ASN 350 Ca 0.14 -1.31 0.04 0.00 0.42 0.00 0.00 52.86 52.15 2xaf s ASN 350 Cb -0.10 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 2xaf s ASN 350 CO 0.05 -2.15 -0.21 0.00 -3.72 0.00 0.00 177.10 171.07 2xaf s MET 351 N 5.86 2.90 -0.47 0.43 0.23 -1.26 -5.02 119.30 121.97 2xaf s MET 351 Ca 0.59 -0.83 -0.23 0.00 -1.03 0.00 0.00 55.69 54.18 2xaf s MET 351 Cb -0.02 -2.33 0.03 0.00 -1.53 0.00 0.00 34.83 30.98 2xaf s MET 351 CO -0.01 0.30 0.82 -1.21 -2.03 0.00 0.00 175.02 172.88 2xaf s GLU 352 N 0.08 3.40 -0.38 3.16 2.02 -1.26 -5.01 118.70 120.70 2xaf s GLU 352 Ca -0.09 -0.13 -0.15 0.00 0.02 0.00 0.00 54.97 54.62 2xaf s GLU 352 Cb -0.15 -3.96 0.01 0.00 0.10 0.00 0.00 34.13 30.12 2xaf s GLU 352 CO 0.06 -1.19 0.34 -0.51 0.02 0.00 0.00 175.26 173.98 2xaf s LEU 353 N 3.42 4.78 -0.05 1.80 1.43 -1.26 -0.33 118.68 128.46 2xaf s LEU 353 Ca 0.30 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2xaf s LEU 353 Cb -0.12 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2xaf s LEU 353 CO 0.22 -0.42 -0.12 0.00 0.23 0.00 0.00 176.35 176.27 2xaf s ALA 354 N 1.88 2.76 0.77 4.21 0.00 -0.94 -4.93 121.76 125.51 2xaf s ALA 354 Ca 0.09 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2xaf s ALA 354 Cb -0.18 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 21.96 2xaf s ALA 354 CO 0.11 0.56 1.11 0.15 0.00 0.00 0.00 175.76 177.70 2xaf s LYS 355 N -0.80 2.30 -0.31 0.00 1.02 -1.26 -0.30 119.74 120.40 2xaf s LYS 355 Ca 0.12 0.49 -0.08 0.00 0.02 0.00 0.00 55.97 56.52 2xaf s LYS 355 Cb -0.11 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 2xaf s LYS 355 CO 0.01 -1.44 0.12 0.42 -0.92 0.00 0.00 175.35 173.54 2xaf s ILE 356 N -3.29 4.26 -0.45 2.17 1.01 -0.67 -4.77 121.20 119.46 2xaf s ILE 356 Ca 0.60 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 2xaf s ILE 356 Cb -0.13 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.16 2xaf s ILE 356 CO 0.53 0.05 1.32 -0.54 0.00 0.00 0.00 174.94 176.30 2xaf s LYS 357 N 1.55 3.60 0.00 2.79 1.02 -1.26 -4.83 119.74 122.60 2xaf s LYS 357 Ca 0.03 0.76 0.01 0.00 0.02 0.00 0.00 55.97 56.80 2xaf s LYS 357 Cb -0.17 -4.00 0.06 0.00 -0.52 0.00 0.00 37.83 33.20 2xaf s LYS 357 CO 0.04 -1.54 0.79 1.04 -0.92 0.00 0.00 175.35 174.76 2xaf n GLN 358 N 8.06 0.02 -2.45 1.68 1.13 -1.26 -4.67 117.38 119.89 2xaf n GLN 358 Ca 0.15 0.23 -0.43 0.00 -1.94 0.00 0.00 57.00 55.01 2xaf n GLN 358 Cb 0.48 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 2xaf n GLN 358 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2xaf s LYS 359 N -2.49 3.91 -0.30 -1.09 2.20 -1.26 -4.99 119.74 115.73 2xaf s LYS 359 Ca 0.01 1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 56.81 2xaf s LYS 359 Cb 0.01 -3.87 0.09 0.00 -1.51 0.00 0.00 37.83 32.55 2xaf s LYS 359 CO 0.02 -1.12 0.08 0.00 -0.36 0.00 0.00 175.35 173.97 2xaf s PRO 361 N 1.60 4.00 0.12 0.00 0.04 -1.26 -4.79 135.00 134.71 2xaf s PRO 361 Ca 0.08 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2xaf s PRO 361 Cb -0.17 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 2xaf s PRO 361 CO -0.22 -0.41 -0.01 -0.51 0.04 0.00 0.00 177.00 175.88 2xaf s LEU 362 N -2.49 3.37 -0.26 -3.56 1.43 -1.26 -1.23 118.68 114.68 2xaf s LEU 362 Ca 0.57 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 2xaf s LEU 362 Cb -0.34 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 43.89 2xaf s LEU 362 CO 0.43 0.15 0.11 -0.31 0.23 0.00 0.00 176.35 176.96 2xaf s TYR 363 N -1.43 0.44 1.07 0.29 1.51 -1.15 -1.83 117.35 116.26 2xaf s TYR 363 Ca 0.26 -0.82 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 2xaf s TYR 363 Cb -0.11 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.83 2xaf s TYR 363 CO 0.18 -0.75 -0.32 0.39 -1.11 0.00 0.00 175.55 173.94 2xaf n GLU 364 N 5.21 -1.01 -0.30 -0.62 1.02 -1.14 -2.24 120.64 121.56 2xaf n GLU 364 Ca -0.06 -0.28 0.13 0.00 -0.02 0.00 0.00 57.16 56.93 2xaf n GLU 364 Cb 0.44 -1.54 0.28 0.00 -0.02 0.00 0.00 31.44 30.61 2xaf n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaf h ALA 365 N -1.72 1.22 -0.75 0.62 0.00 -1.83 0.18 119.26 116.98 2xaf h ALA 365 Ca -0.49 0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2xaf h ALA 365 Cb 1.36 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2xaf h ALA 365 CO 0.33 -0.50 0.49 -2.95 0.00 0.00 0.00 179.25 176.63 2xaf h ASN 366 N 0.15 0.65 0.00 0.00 7.08 -1.90 -3.47 115.58 118.09 2xaf h ASN 366 Ca 0.55 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.78 2xaf h ASN 366 Cb 1.12 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 2xaf h ASN 366 CO -0.71 0.41 0.00 0.61 -2.08 0.00 0.00 177.43 175.66 2xaf n GLY 367 N -1.45 1.77 3.14 9.14 0.00 0.65 -4.83 105.19 113.61 2xaf n GLY 367 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2xaf n GLY 367 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xaf s GLN 368 N -0.40 1.63 0.55 1.61 -0.21 -1.26 -4.28 119.66 117.29 2xaf s GLN 368 Ca 0.00 -0.61 -0.18 0.00 0.02 0.00 0.00 55.36 54.59 2xaf s GLN 368 Cb 0.00 -1.47 -0.14 0.00 1.00 0.00 0.00 33.01 32.40 2xaf s GLN 368 CO 0.00 0.29 -0.12 0.00 -2.12 0.00 0.00 175.29 173.34 2xaf n ALA 369 N 2.96 -3.09 -2.67 6.09 0.00 -1.26 -2.88 120.51 119.66 2xaf n ALA 369 Ca -0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 2xaf n ALA 369 Cb 0.53 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 2xaf n ALA 369 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xaf s VAL 370 N -1.98 5.18 0.37 0.00 1.01 -0.76 -4.76 120.40 119.46 2xaf s VAL 370 Ca 0.57 0.73 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 2xaf s VAL 370 Cb -0.47 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 2xaf s VAL 370 CO 0.66 0.24 1.03 -2.65 0.00 0.00 0.00 175.10 174.38 2xaf n PRO 371 N 4.57 1.42 0.16 2.72 -0.02 -1.26 -4.69 135.00 137.90 2xaf n PRO 371 Ca -0.08 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.09 2xaf n PRO 371 Cb 0.51 -2.00 0.70 0.00 -0.02 0.00 0.00 33.50 32.69 2xaf n PRO 371 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2xaf h LYS 372 N 1.78 0.00 0.00 -0.52 1.57 -1.99 -1.97 116.57 115.44 2xaf h LYS 372 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2xaf h LYS 372 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2xaf h LYS 372 CO 0.58 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.85 2xaf n GLU 373 N -3.33 0.00 0.42 3.15 -0.58 -1.26 -3.05 120.64 115.99 2xaf n GLU 373 Ca 0.05 0.39 -0.17 0.00 -0.42 0.00 0.00 57.16 57.01 2xaf n GLU 373 Cb 0.64 -1.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.30 2xaf n GLU 373 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2xaf h LYS 374 N 0.00 -1.04 -0.45 3.49 1.57 -1.74 -2.87 116.57 115.54 2xaf h LYS 374 Ca 0.00 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2xaf h LYS 374 Cb 0.00 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 2xaf h LYS 374 CO 0.00 -0.69 -0.13 -3.47 -0.57 0.00 0.00 179.45 174.58 2xaf n ASP 375 N -5.13 -0.20 -0.01 0.86 -0.08 -0.91 0.15 116.55 111.23 2xaf n ASP 375 Ca -0.13 0.77 -0.17 0.00 -1.51 0.00 0.00 54.79 53.75 2xaf n ASP 375 Cb 0.43 -0.21 -0.09 0.00 2.34 0.00 0.00 41.12 43.58 2xaf n ASP 375 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2xaf h GLU 376 N 0.00 0.60 -0.56 -0.67 5.08 -1.48 -2.80 114.58 114.75 2xaf h GLU 376 Ca 0.19 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2xaf h GLU 376 Cb 0.31 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2xaf h GLU 376 CO -0.45 1.16 0.12 1.98 -1.00 0.00 0.00 179.01 180.81 2xaf h MET 377 N 0.23 0.88 0.31 2.33 4.05 0.17 -1.65 114.93 121.25 2xaf h MET 377 Ca -0.06 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 2xaf h MET 377 Cb 1.32 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2xaf h MET 377 CO 0.14 0.80 -0.15 0.28 0.23 0.00 0.00 176.91 178.20 2xaf h VAL 378 N 0.84 0.29 -0.93 -5.77 2.07 -1.03 -0.27 116.25 111.45 2xaf h VAL 378 Ca 0.18 -0.78 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2xaf h VAL 378 Cb 0.33 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 30.46 2xaf h VAL 378 CO 0.00 0.07 -0.52 -0.08 0.02 0.00 0.00 177.57 177.07 2xaf h GLU 379 N -1.04 -0.04 0.00 1.57 4.81 -1.55 0.61 114.58 118.94 2xaf h GLU 379 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2xaf h GLU 379 Cb 0.44 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2xaf h GLU 379 CO 0.07 -0.03 -0.11 0.37 -0.73 0.00 0.00 179.01 178.58 2xaf h GLN 380 N -0.04 0.00 -0.14 1.92 4.15 -1.27 -0.05 115.11 119.68 2xaf h GLN 380 Ca 0.21 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2xaf h GLN 380 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2xaf h GLN 380 CO -0.91 0.11 -0.27 1.49 -1.93 0.00 0.00 178.83 177.32 2xaf h GLU 381 N 0.00 0.42 -0.49 1.69 4.57 0.15 -2.49 114.58 118.44 2xaf h GLU 381 Ca -0.00 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 57.96 2xaf h GLU 381 Cb 0.22 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 2xaf h GLU 381 CO 0.01 0.87 -0.45 0.35 -1.18 0.00 0.00 179.01 178.62 2xaf h PHE 382 N 0.03 -1.40 -0.54 0.92 3.57 0.17 0.37 116.94 120.07 2xaf h PHE 382 Ca 0.01 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.70 2xaf h PHE 382 Cb 0.86 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 40.24 2xaf h PHE 382 CO 0.10 -0.35 0.37 -0.91 -2.23 0.00 0.00 178.31 175.29 2xaf h ASN 383 N -0.20 0.21 -0.01 0.41 2.35 -1.15 -0.17 115.58 117.02 2xaf h ASN 383 Ca 0.08 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2xaf h ASN 383 Cb 0.42 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2xaf h ASN 383 CO -0.57 0.12 -0.01 0.03 -1.65 0.00 0.00 177.43 175.36 2xaf h ARG 384 N 0.23 0.02 -0.81 0.81 3.08 -0.67 -2.91 114.38 114.13 2xaf h ARG 384 Ca 0.25 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.41 2xaf h ARG 384 Cb 0.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 2xaf h ARG 384 CO -0.05 0.50 0.53 -0.07 -1.07 0.00 0.00 179.97 179.81 2xaf h LEU 385 N -0.45 0.60 0.00 3.04 3.38 0.13 -1.48 115.31 120.53 2xaf h LEU 385 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2xaf h LEU 385 Cb 0.49 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2xaf h LEU 385 CO 0.00 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2xaf n LEU 386 N -4.52 0.08 -0.25 1.67 4.77 -0.24 -2.29 117.00 116.23 2xaf n LEU 386 Ca 0.15 0.83 0.24 0.00 -0.03 0.00 0.00 56.01 57.20 2xaf n LEU 386 Cb 0.41 -0.39 0.44 0.00 -2.33 0.00 0.00 43.42 41.55 2xaf n LEU 386 CO 0.31 -0.39 0.79 -0.62 -1.33 0.00 0.00 177.39 176.15 2xaf n GLU 387 N -1.67 -0.04 0.05 3.23 1.02 -1.11 0.60 120.64 122.73 2xaf n GLU 387 Ca 0.00 0.99 -0.13 0.00 -0.02 0.00 0.00 57.16 58.00 2xaf n GLU 387 Cb 0.00 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 2xaf n GLU 387 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xaf h ALA 388 N 1.41 -0.57 -0.55 0.62 0.00 -1.10 0.15 119.26 119.22 2xaf h ALA 388 Ca 0.62 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.57 2xaf h ALA 388 Cb 1.70 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 20.12 2xaf h ALA 388 CO -0.53 -0.90 0.24 1.79 0.00 0.00 0.00 179.25 179.86 2xaf h THR 389 N -0.52 0.88 -0.91 0.00 1.35 0.60 -1.58 112.91 112.73 2xaf h THR 389 Ca 0.06 -0.16 0.14 0.00 -0.55 0.00 0.00 66.41 65.90 2xaf h THR 389 Cb 0.62 0.37 -0.07 0.00 -1.73 0.00 0.00 68.15 67.34 2xaf h THR 389 CO -0.32 0.08 0.58 -1.28 -0.25 0.00 0.00 175.52 174.34 2xaf h SER 390 N 0.46 0.70 -0.23 5.36 0.87 -0.52 0.20 113.55 120.40 2xaf h SER 390 Ca 0.26 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2xaf h SER 390 Cb 0.24 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2xaf h SER 390 CO -0.22 0.36 0.00 0.22 -0.53 0.00 0.00 176.83 176.66 2xaf h TYR 391 N 0.74 0.43 -0.83 2.24 5.03 0.16 -2.21 116.97 122.53 2xaf h TYR 391 Ca 0.45 -0.07 0.10 0.00 2.58 0.00 0.00 58.73 61.79 2xaf h TYR 391 Cb 0.67 -0.11 -0.07 0.00 1.55 0.00 0.00 36.73 38.77 2xaf h TYR 391 CO -0.00 0.57 0.47 -0.07 -1.32 0.00 0.00 178.16 177.81 2xaf h LEU 392 N 0.17 0.67 0.73 2.82 4.07 -0.05 -0.01 115.31 123.71 2xaf h LEU 392 Ca 0.06 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 2xaf h LEU 392 Cb 0.40 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.06 2xaf h LEU 392 CO 0.01 0.38 -0.35 -1.28 -1.08 0.00 0.00 178.44 176.12 2xaf h SER 393 N 0.78 -0.83 0.08 -0.43 0.87 -0.59 -1.27 113.55 112.16 2xaf h SER 393 Ca 0.40 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.85 2xaf h SER 393 Cb 0.38 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2xaf h SER 393 CO -0.25 -0.55 -0.65 0.45 -0.53 0.00 0.00 176.83 175.30 2xaf h HIS 394 N -1.08 0.30 0.13 2.24 3.86 -1.30 -2.74 115.15 116.56 2xaf h HIS 394 Ca -0.10 -0.22 -0.33 0.00 -1.16 0.00 0.00 60.37 58.57 2xaf h HIS 394 Cb 0.75 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 2xaf h HIS 394 CO 0.04 1.25 -1.67 1.96 0.86 0.00 0.00 177.93 180.37 2xaf h GLN 395 N -0.63 0.27 -0.01 2.45 1.08 -1.19 -3.33 115.11 113.75 2xaf h GLN 395 Ca -0.13 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 2xaf h GLN 395 Cb 1.41 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 2xaf h GLN 395 CO 0.06 1.13 -0.72 1.28 -0.95 0.00 0.00 178.83 179.63 2xaf n LEU 396 N -3.46 1.30 -2.98 1.46 4.77 -0.99 -4.98 117.00 112.11 2xaf n LEU 396 Ca -0.21 -0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 55.03 2xaf n LEU 396 Cb 1.05 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 42.14 2xaf n LEU 396 CO 0.49 0.28 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.13 2xaf n ASP 397 N -0.94 -5.96 -4.10 -1.43 -0.08 -0.77 -4.91 116.55 98.36 2xaf n ASP 397 Ca 0.06 -0.27 -0.42 0.00 -1.51 0.00 0.00 54.79 52.65 2xaf n ASP 397 Cb 0.38 -4.83 0.00 0.00 2.34 0.00 0.00 41.12 39.01 2xaf n ASP 397 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2xaf n PHE 398 N -4.43 4.01 0.00 -0.67 7.35 -0.55 -4.56 117.46 118.61 2xaf n PHE 398 Ca -0.12 -2.93 0.00 0.00 -0.76 0.00 0.00 57.45 53.64 2xaf n PHE 398 Cb 0.62 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.89 2xaf n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2xaf n ASN 399 N 6.94 2.37 -4.27 -2.13 3.02 -1.26 -4.68 115.26 115.25 2xaf n ASN 399 Ca 0.50 -0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.58 2xaf n ASN 399 Cb 0.42 0.90 -0.14 0.00 -0.61 0.00 0.00 39.78 40.35 2xaf n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2xaf s VAL 400 N -1.38 1.72 -0.26 2.41 1.01 -1.26 -2.08 120.40 120.56 2xaf s VAL 400 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 2xaf s VAL 400 Cb 0.00 -1.51 0.15 0.00 0.00 0.00 0.00 36.38 35.02 2xaf s VAL 400 CO 0.00 0.14 0.43 -0.22 0.00 0.00 0.00 175.10 175.45 2xaf s LEU 401 N -1.40 -0.82 -0.94 3.92 2.96 -0.35 -4.85 118.68 117.20 2xaf s LEU 401 Ca 0.08 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2xaf s LEU 401 Cb -0.09 1.30 0.00 0.00 0.50 0.00 0.00 46.19 47.90 2xaf s LEU 401 CO 0.03 -0.31 0.27 0.59 -1.32 0.00 0.00 176.35 175.61 2xaf n ASN 402 N 5.37 -4.14 0.00 3.68 5.03 -1.26 -3.36 115.26 120.59 2xaf n ASN 402 Ca -0.02 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.30 2xaf n ASN 402 Cb 0.50 -3.10 0.00 0.00 -1.02 0.00 0.00 39.78 36.16 2xaf n ASN 402 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2xaf n ASN 403 N -0.64 0.00 -4.78 6.41 4.13 -1.26 -5.01 115.26 114.12 2xaf n ASN 403 Ca -0.09 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.80 2xaf n ASN 403 Cb 0.58 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 2xaf n ASN 403 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2xaf s LYS 404 N 0.00 4.14 0.55 3.52 -0.14 -1.21 -5.02 119.74 121.58 2xaf s LYS 404 Ca 0.00 1.64 -0.20 0.00 -1.36 0.00 0.00 55.97 56.04 2xaf s LYS 404 Cb 0.00 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.49 2xaf s LYS 404 CO 0.00 -0.19 1.23 -1.25 -0.76 0.00 0.00 175.35 174.38 2xaf s PRO 405 N -2.38 3.19 0.01 -1.68 0.04 -1.26 -1.21 135.00 131.71 2xaf s PRO 405 Ca 0.57 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 63.31 2xaf s PRO 405 Cb -0.25 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2xaf s PRO 405 CO 0.32 -1.06 0.61 0.08 0.04 0.00 0.00 177.00 177.00 2xaf s VAL 406 N -1.51 4.87 0.46 -0.36 1.01 -0.88 -4.82 120.40 119.16 2xaf s VAL 406 Ca 0.73 1.29 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2xaf s VAL 406 Cb -0.32 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2xaf s VAL 406 CO 0.37 0.42 0.69 -0.94 0.00 0.00 0.00 175.10 175.64 2xaf s SER 407 N -0.26 5.76 0.17 3.32 1.04 -1.26 -2.40 113.70 120.07 2xaf s SER 407 Ca 0.32 0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.86 2xaf s SER 407 Cb -0.19 -1.46 0.09 0.00 0.10 0.00 0.00 66.02 64.57 2xaf s SER 407 CO 0.18 -0.76 1.81 0.25 0.98 0.00 0.00 173.24 175.70 2xaf h LEU 408 N 0.35 0.46 0.31 2.42 5.85 -1.11 -2.54 115.31 121.05 2xaf h LEU 408 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2xaf h LEU 408 Cb 1.26 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2xaf h LEU 408 CO 0.57 0.32 -0.35 1.23 -0.34 0.00 0.00 178.44 179.87 2xaf h GLY 409 N 0.57 -1.10 -0.51 3.75 0.00 -0.36 0.26 103.07 105.67 2xaf h GLY 409 Ca 0.20 0.51 0.05 0.00 0.00 0.00 0.00 47.33 48.09 2xaf h GLY 409 CO -0.10 -0.34 -0.30 -1.06 0.00 0.00 0.00 176.54 174.75 2xaf n GLN 410 N -4.50 -0.22 0.27 4.80 6.02 -1.23 -0.41 117.38 122.11 2xaf n GLN 410 Ca -0.08 0.87 0.11 0.00 -0.01 0.00 0.00 57.00 57.89 2xaf n GLN 410 Cb 0.31 -1.27 0.74 0.00 1.02 0.00 0.00 30.24 31.04 2xaf n GLN 410 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2xaf h ALA 411 N 0.16 1.57 -0.07 -1.58 0.00 -0.95 0.15 119.26 118.53 2xaf h ALA 411 Ca 0.08 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 2xaf h ALA 411 Cb 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.00 2xaf h ALA 411 CO -0.48 0.08 -0.92 -0.07 0.00 0.00 0.00 179.25 177.86 2xaf h LEU 412 N 0.00 0.93 0.11 0.00 3.38 0.14 -2.65 115.31 117.21 2xaf h LEU 412 Ca -0.00 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.30 2xaf h LEU 412 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2xaf h LEU 412 CO 0.01 1.48 -0.24 -0.33 0.09 0.00 0.00 178.44 179.45 2xaf h GLU 413 N 0.45 -0.42 -0.04 1.13 5.08 -0.22 0.12 114.58 120.69 2xaf h GLU 413 Ca -0.10 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2xaf h GLU 413 Cb 1.57 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 2xaf h GLU 413 CO 0.19 -0.28 0.06 0.28 -1.00 0.00 0.00 179.01 178.25 2xaf h VAL 414 N -0.44 0.35 0.07 3.13 2.07 -0.77 0.23 116.25 120.89 2xaf h VAL 414 Ca 0.03 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.37 2xaf h VAL 414 Cb 0.47 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2xaf h VAL 414 CO -0.14 0.00 -0.93 0.58 0.02 0.00 0.00 177.57 177.09 2xaf h VAL 415 N 0.00 1.28 0.17 2.57 2.07 -1.08 -2.80 116.25 118.45 2xaf h VAL 415 Ca 0.02 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.17 2xaf h VAL 415 Cb 0.13 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2xaf h VAL 415 CO -0.00 0.61 -0.20 0.40 0.02 0.00 0.00 177.57 178.40 2xaf h ILE 416 N -0.61 0.57 -0.56 4.57 2.04 0.05 0.51 117.51 124.08 2xaf h ILE 416 Ca -0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2xaf h ILE 416 Cb 1.47 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 2xaf h ILE 416 CO 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.83 2xaf n GLN 417 N -5.32 -0.25 0.02 2.37 6.02 0.74 -0.74 117.38 120.22 2xaf n GLN 417 Ca -0.07 1.24 0.20 0.00 -0.01 0.00 0.00 57.00 58.36 2xaf n GLN 417 Cb 0.23 -1.84 0.71 0.00 1.02 0.00 0.00 30.24 30.37 2xaf n GLN 417 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2xaf h LEU 418 N 0.00 0.00 -0.16 1.08 4.07 -1.08 0.47 115.31 119.69 2xaf h LEU 418 Ca 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.82 2xaf h LEU 418 Cb 0.23 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.98 2xaf h LEU 418 CO -0.52 0.00 -0.91 1.56 -1.08 0.00 0.00 178.44 177.49 2xaf h GLN 419 N 0.00 0.55 -0.35 1.13 1.08 0.88 -1.05 115.11 117.36 2xaf h GLN 419 Ca 0.24 -0.54 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2xaf h GLN 419 Cb 1.01 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2xaf h GLN 419 CO -0.00 1.17 0.21 0.93 -0.95 0.00 0.00 178.83 180.19 2xaf h GLU 420 N 0.34 0.48 0.33 1.46 5.08 0.19 -1.88 114.58 120.58 2xaf h GLU 420 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2xaf h GLU 420 Cb 1.53 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 2xaf h GLU 420 CO 0.17 0.36 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.92 2xaf h LYS 421 N 0.46 -0.74 -0.94 2.33 3.64 -0.40 -2.33 116.57 118.59 2xaf h LYS 421 Ca 0.13 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 2xaf h LYS 421 Cb 0.01 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 2xaf h LYS 421 CO -0.02 -0.50 0.58 1.25 -2.27 0.00 0.00 179.45 178.49 2xaf h HIS 422 N -0.77 1.05 -0.46 1.91 2.76 -1.16 -0.13 115.15 118.34 2xaf h HIS 422 Ca -0.02 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.28 2xaf h HIS 422 Cb 0.71 -0.33 -0.09 0.00 1.55 0.00 0.00 27.41 29.25 2xaf h HIS 422 CO -0.25 0.42 -0.18 0.28 -1.30 0.00 0.00 177.93 176.90 2xaf h VAL 423 N 0.93 0.42 0.81 5.26 2.07 -0.79 -2.49 116.25 122.46 2xaf h VAL 423 Ca 0.46 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.94 2xaf h VAL 423 Cb 0.43 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2xaf h VAL 423 CO -0.26 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.05 2xaf h LYS 424 N -0.08 -1.05 -1.07 1.57 1.57 -1.09 -2.50 116.57 113.92 2xaf h LYS 424 Ca 0.22 0.07 0.31 0.00 -1.87 0.00 0.00 60.65 59.38 2xaf h LYS 424 Cb 0.42 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 2xaf h LYS 424 CO -0.51 -0.70 0.85 -0.25 -0.57 0.00 0.00 179.45 178.27 2xaf n ASP 425 N -5.25 0.00 -0.05 0.86 10.43 -0.13 -0.45 116.55 121.96 2xaf n ASP 425 Ca -0.14 0.58 -0.21 0.00 2.57 0.00 0.00 54.79 57.59 2xaf n ASP 425 Cb 0.43 -0.27 -0.13 0.00 1.84 0.00 0.00 41.12 42.99 2xaf n ASP 425 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2xaf h GLU 426 N 0.00 0.10 0.35 -1.24 4.39 -1.01 -3.01 114.58 114.17 2xaf h GLU 426 Ca 0.51 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 2xaf h GLU 426 Cb 2.21 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.89 2xaf h GLU 426 CO -0.01 1.08 -0.48 1.96 -1.16 0.00 0.00 179.01 180.41 2xaf h GLN 427 N -0.67 -0.84 -0.08 2.33 4.20 -0.50 0.71 115.11 120.26 2xaf h GLN 427 Ca -0.30 0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.48 2xaf h GLN 427 Cb 1.48 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 2xaf h GLN 427 CO -0.07 -0.56 -0.05 -0.89 -0.67 0.00 0.00 178.83 176.60 2xaf n ILE 428 N -5.52 -0.05 1.19 2.54 5.41 -0.59 -0.31 119.36 122.03 2xaf n ILE 428 Ca -0.10 1.12 0.10 0.00 1.00 0.00 0.00 62.75 64.87 2xaf n ILE 428 Cb 0.43 -1.47 0.59 0.00 -0.71 0.00 0.00 39.64 38.47 2xaf n ILE 428 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2xaf n GLU 429 N -2.95 0.52 -0.08 0.38 -0.00 -1.09 -0.38 120.64 117.04 2xaf n GLU 429 Ca 0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 57.16 57.09 2xaf n GLU 429 Cb 0.02 -1.50 -0.07 0.00 -0.00 0.00 0.00 31.44 29.89 2xaf n GLU 429 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2xaf h HIS 430 N 0.00 0.00 -0.01 -1.84 2.76 0.18 -3.09 115.15 113.15 2xaf h HIS 430 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2xaf h HIS 430 Cb 0.08 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2xaf h HIS 430 CO 0.00 0.68 -0.22 -1.49 -1.30 0.00 0.00 177.93 175.59 2xaf h TRP 431 N -1.00 0.02 0.00 5.26 4.06 -0.84 -2.15 115.95 121.30 2xaf h TRP 431 Ca -0.11 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 2xaf h TRP 431 Cb 0.76 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 2xaf h TRP 431 CO 0.03 0.24 -0.17 -0.22 -3.56 0.00 0.00 178.44 174.76 2xaf h LYS 432 N 0.01 0.00 0.00 0.49 3.64 -0.86 -0.24 116.57 119.61 2xaf h LYS 432 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2xaf h LYS 432 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2xaf h LYS 432 CO 0.03 0.17 -0.48 0.87 -2.27 0.00 0.00 179.45 177.77 2xaf h LYS 433 N 0.00 0.00 0.34 1.90 1.79 -1.32 -3.05 116.57 116.24 2xaf h LYS 433 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2xaf h LYS 433 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2xaf h LYS 433 CO 0.02 0.48 -0.17 0.82 -1.08 0.00 0.00 179.45 179.53 2xaf h ILE 434 N 0.00 0.58 -0.93 1.86 2.04 -0.57 -3.05 117.51 117.44 2xaf h ILE 434 Ca -0.00 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.31 2xaf h ILE 434 Cb 1.24 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 2xaf h ILE 434 CO 0.06 0.11 0.58 -0.37 0.00 0.00 0.00 178.15 178.53 2xaf h VAL 435 N -0.86 0.99 0.00 1.67 -1.51 -1.38 0.53 116.25 115.67 2xaf h VAL 435 Ca -0.05 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 2xaf h VAL 435 Cb 0.53 -0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 29.60 2xaf h VAL 435 CO 0.08 0.18 -0.06 0.50 -1.23 0.00 0.00 177.57 177.04 2xaf h LYS 436 N 0.99 0.00 0.00 5.19 3.64 -1.61 0.10 116.57 124.87 2xaf h LYS 436 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2xaf h LYS 436 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2xaf h LYS 436 CO -0.22 0.06 -0.07 1.15 -2.27 0.00 0.00 179.45 178.10 2xaf h THR 437 N 0.00 0.00 0.00 1.00 2.02 -0.38 -3.21 112.91 112.35 2xaf h THR 437 Ca -0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2xaf h THR 437 Cb 0.14 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2xaf h THR 437 CO 0.01 0.00 0.74 -0.61 0.37 0.00 0.00 175.52 176.03 2xaf h GLN 438 N -0.86 0.00 -0.01 6.66 5.75 -0.05 0.60 115.11 127.20 2xaf h GLN 438 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2xaf h GLN 438 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2xaf h GLN 438 CO 0.00 0.00 -0.21 -1.91 -2.65 0.00 0.00 178.83 174.06 2xaf n GLU 439 N -2.20 1.75 0.14 1.69 2.13 0.01 -3.03 120.64 121.12 2xaf n GLU 439 Ca -0.00 -0.77 -0.24 0.00 0.66 0.00 0.00 57.16 56.81 2xaf n GLU 439 Cb 0.75 -1.16 -0.16 0.00 0.27 0.00 0.00 31.44 31.14 2xaf n GLU 439 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2xaf h GLU 440 N 1.53 0.55 -0.21 5.31 5.08 0.15 -3.20 114.58 123.80 2xaf h GLU 440 Ca 0.00 -0.91 -0.01 0.00 -1.00 0.00 0.00 59.36 57.44 2xaf h GLU 440 Cb 0.43 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2xaf h GLU 440 CO 0.00 1.43 0.09 1.25 -1.00 0.00 0.00 179.01 180.78 2xaf h LEU 441 N 0.16 0.25 0.80 1.33 5.85 -1.30 -0.44 115.31 121.96 2xaf h LEU 441 Ca -0.25 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2xaf h LEU 441 Cb 2.14 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 43.11 2xaf h LEU 441 CO 0.27 0.23 -0.38 0.50 -0.34 0.00 0.00 178.44 178.71 2xaf h LYS 442 N 0.28 -1.04 -0.93 1.25 3.64 -1.63 -2.27 116.57 115.88 2xaf h LYS 442 Ca 0.07 0.07 0.21 0.00 -1.27 0.00 0.00 60.65 59.73 2xaf h LYS 442 Cb 0.05 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2xaf h LYS 442 CO -0.01 -0.69 0.61 0.93 -2.27 0.00 0.00 179.45 178.02 2xaf h GLU 443 N -1.22 0.42 -0.14 1.90 5.08 -1.42 -1.80 114.58 117.40 2xaf h GLU 443 Ca -0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2xaf h GLU 443 Cb 0.82 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2xaf h GLU 443 CO 0.18 0.28 -0.13 1.25 -1.00 0.00 0.00 179.01 179.59 2xaf h LEU 444 N 0.43 0.36 -0.24 1.33 5.85 -1.09 -2.80 115.31 119.16 2xaf h LEU 444 Ca 0.49 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2xaf h LEU 444 Cb 1.19 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2xaf h LEU 444 CO -0.20 0.75 0.10 -0.07 -0.34 0.00 0.00 178.44 178.68 2xaf h LEU 445 N -0.03 0.13 -1.07 2.25 3.38 -0.73 0.12 115.31 119.37 2xaf h LEU 445 Ca 0.02 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2xaf h LEU 445 Cb 0.64 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 2xaf h LEU 445 CO 0.03 0.11 0.61 0.78 0.09 0.00 0.00 178.44 180.06 2xaf h ASN 446 N 0.22 0.73 0.16 -0.43 4.21 -1.46 0.67 115.58 119.67 2xaf h ASN 446 Ca 0.10 0.09 -0.17 0.00 1.21 0.00 0.00 56.30 57.53 2xaf h ASN 446 Cb 0.05 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2xaf h ASN 446 CO -0.09 0.25 -0.64 0.50 -1.29 0.00 0.00 177.43 176.16 2xaf h LYS 447 N 0.71 0.46 0.11 0.81 3.64 -1.12 -2.46 116.57 118.73 2xaf h LYS 447 Ca 0.58 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2xaf h LYS 447 Cb 0.98 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2xaf h LYS 447 CO -0.37 0.95 -0.05 0.52 -2.27 0.00 0.00 179.45 178.23 2xaf h MET 448 N 0.34 -0.15 -0.14 1.90 2.86 0.21 -2.91 114.93 117.04 2xaf h MET 448 Ca -0.01 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2xaf h MET 448 Cb 1.19 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 2xaf h MET 448 CO 0.11 0.25 -0.21 0.28 1.06 0.00 0.00 176.91 178.40 2xaf h VAL 449 N -0.58 0.47 0.00 -2.22 2.07 0.08 -0.79 116.25 115.28 2xaf h VAL 449 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2xaf h VAL 449 Cb 0.46 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2xaf h VAL 449 CO 0.03 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.21 2xaf n ASN 450 N -5.35 0.00 -0.04 0.57 4.13 -0.93 -1.27 115.26 112.37 2xaf n ASN 450 Ca -0.03 -0.39 -0.10 0.00 1.68 0.00 0.00 54.58 55.74 2xaf n ASN 450 Cb 0.26 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 2xaf n ASN 450 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2xaf n LEU 451 N -0.64 1.09 0.00 3.41 7.94 -0.41 -4.04 117.00 124.35 2xaf n LEU 451 Ca 0.02 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2xaf n LEU 451 Cb 0.01 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.54 2xaf n LEU 451 CO 0.01 -0.04 0.24 1.17 -1.11 0.00 0.00 177.39 177.65 2xaf n LYS 452 N -3.68 0.00 -0.03 1.96 4.81 -0.60 -0.53 118.16 120.08 2xaf n LYS 452 Ca -0.17 0.07 -0.01 0.00 -0.87 0.00 0.00 58.31 57.33 2xaf n LYS 452 Cb 0.51 -1.58 -0.00 0.00 0.02 0.00 0.00 35.03 33.97 2xaf n LYS 452 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2xaf h GLU 453 N 0.00 0.00 -0.66 1.64 4.57 -1.33 -3.09 114.58 115.71 2xaf h GLU 453 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2xaf h GLU 453 Cb 0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2xaf h GLU 453 CO 0.00 0.00 0.19 0.87 -1.18 0.00 0.00 179.01 178.89 2xaf h LYS 454 N -0.45 1.03 -0.68 1.92 1.57 -1.48 -2.84 116.57 115.65 2xaf h LYS 454 Ca 0.00 -0.23 0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2xaf h LYS 454 Cb 0.09 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 2xaf h LYS 454 CO 0.00 0.91 0.26 0.82 -0.57 0.00 0.00 179.45 180.87 2xaf h ILE 455 N 0.96 0.71 0.03 1.86 2.04 -1.01 0.86 117.51 122.97 2xaf h ILE 455 Ca 0.21 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2xaf h ILE 455 Cb 0.32 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2xaf h ILE 455 CO -0.00 0.08 -0.47 0.50 0.00 0.00 0.00 178.15 178.26 2xaf h LYS 456 N 0.42 -0.58 0.00 2.37 3.11 -1.41 -2.11 116.57 118.37 2xaf h LYS 456 Ca 0.36 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 2xaf h LYS 456 Cb 0.49 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2xaf h LYS 456 CO -0.36 -0.39 0.00 1.49 -2.81 0.00 0.00 179.45 177.39 2xaf h GLU 457 N -0.60 0.00 0.25 1.90 4.81 -1.11 -2.80 114.58 117.03 2xaf h GLU 457 Ca 0.01 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2xaf h GLU 457 Cb 0.64 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.06 2xaf h GLU 457 CO -0.30 0.00 -1.46 1.25 -0.73 0.00 0.00 179.01 177.77 2xaf h LEU 458 N 0.00 0.83 -0.40 1.64 7.12 0.87 -2.96 115.31 122.41 2xaf h LEU 458 Ca 0.00 -0.92 0.07 0.00 0.13 0.00 0.00 57.88 57.16 2xaf h LEU 458 Cb 0.59 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 2xaf h LEU 458 CO 0.00 1.70 0.03 -0.74 -0.13 0.00 0.00 178.44 179.31 2xaf h HIS 459 N 0.12 0.04 -0.40 1.25 2.76 -1.13 -1.22 115.15 116.57 2xaf h HIS 459 Ca -0.26 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.98 2xaf h HIS 459 Cb 2.15 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 31.10 2xaf h HIS 459 CO 0.13 -0.04 -0.25 0.37 -1.30 0.00 0.00 177.93 176.84 2xaf h GLN 460 N 0.14 -0.01 -0.86 5.26 5.75 -1.55 0.27 115.11 124.12 2xaf h GLN 460 Ca 0.20 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.80 2xaf h GLN 460 Cb 0.26 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.75 2xaf h GLN 460 CO -0.30 -0.01 0.56 1.96 -2.65 0.00 0.00 178.83 178.39 2xaf h GLN 461 N -0.01 0.77 -0.20 1.69 4.20 -1.20 0.07 115.11 120.43 2xaf h GLN 461 Ca 0.06 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2xaf h GLN 461 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2xaf h GLN 461 CO -0.39 0.51 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.26 2xaf h TYR 462 N 0.79 0.49 0.12 2.96 5.03 -0.22 -1.94 116.97 124.20 2xaf h TYR 462 Ca 0.40 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.60 2xaf h TYR 462 Cb 0.48 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2xaf h TYR 462 CO -0.00 0.72 -0.18 -0.22 -1.32 0.00 0.00 178.16 177.16 2xaf h LYS 463 N 0.12 -0.35 -0.82 1.82 1.63 0.68 -0.08 116.57 119.57 2xaf h LYS 463 Ca 0.04 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.06 2xaf h LYS 463 Cb 0.59 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.25 2xaf h LYS 463 CO 0.03 -0.23 0.56 0.93 -3.45 0.00 0.00 179.45 177.29 2xaf h GLU 464 N -0.36 0.31 -0.02 1.90 5.08 -1.03 -0.87 114.58 119.60 2xaf h GLU 464 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xaf h GLU 464 Cb 0.37 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2xaf h GLU 464 CO -0.08 0.21 -0.28 0.00 -1.00 0.00 0.00 179.01 177.85 2xaf n ALA 465 N -2.55 3.14 1.07 3.43 0.00 -0.73 -3.28 120.51 121.58 2xaf n ALA 465 Ca 0.17 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.17 2xaf n ALA 465 Cb 0.67 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 19.31 2xaf n ALA 465 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2xaf n SER 466 N -0.00 1.12 -0.05 0.00 7.64 -0.10 -4.08 113.62 118.16 2xaf n SER 466 Ca 0.12 -0.90 -0.15 0.00 1.01 0.00 0.00 58.87 58.95 2xaf n SER 466 Cb 0.44 0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 64.02 2xaf n SER 466 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2xaf h GLU 467 N 0.89 0.49 -5.77 1.43 4.39 -1.34 -3.42 114.58 111.25 2xaf h GLU 467 Ca 0.00 -0.33 -0.64 0.00 0.34 0.00 0.00 59.36 58.73 2xaf h GLU 467 Cb 0.56 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2xaf h GLU 467 CO 0.00 0.95 1.48 0.28 -1.16 0.00 0.00 179.01 180.56 2xaf n VAL 468 N -4.34 0.08 -2.79 3.13 0.31 -1.26 -4.86 118.33 108.59 2xaf n VAL 468 Ca -0.07 -0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 63.71 2xaf n VAL 468 Cb 0.50 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 2xaf n VAL 468 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2xaf s LYS 469 N 6.89 4.32 0.85 5.55 -0.14 -1.26 -4.99 119.74 130.96 2xaf s LYS 469 Ca 1.16 1.20 -0.11 0.00 -1.36 0.00 0.00 55.97 56.85 2xaf s LYS 469 Cb -1.01 -2.37 0.10 0.00 -1.68 0.00 0.00 37.83 32.88 2xaf s LYS 469 CO 0.50 0.05 1.09 -2.14 -0.76 0.00 0.00 175.35 174.10 2xaf s PRO 470 N -2.83 1.59 0.40 -1.68 0.02 -1.26 -4.41 135.00 126.83 2xaf s PRO 470 Ca 0.59 1.02 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 2xaf s PRO 470 Cb -0.12 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 2xaf s PRO 470 CO 0.17 -2.07 0.87 -1.25 -0.33 0.00 0.00 177.00 174.39 2xaf s PRO 471 N -4.89 4.08 0.19 5.54 0.04 -1.26 -5.18 135.00 133.52 2xaf s PRO 471 Ca 0.63 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.63 2xaf s PRO 471 Cb -0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2xaf s PRO 471 CO 0.57 -0.00 -0.14 -0.98 0.04 0.00 0.00 177.00 176.49 2xaf s ARG 472 N -3.29 1.26 0.92 4.56 1.70 -1.26 -5.15 118.95 117.69 2xaf s ARG 472 Ca 0.58 -1.55 -0.14 0.00 -0.47 0.00 0.00 55.73 54.16 2xaf s ARG 472 Cb -0.10 -1.01 0.15 0.00 -0.57 0.00 0.00 34.95 33.43 2xaf s ARG 472 CO 0.18 0.16 1.19 0.16 -1.08 0.00 0.00 175.30 175.91 2xaf s ASP 473 N -3.25 3.44 0.17 -2.89 1.47 -1.26 -4.80 116.67 109.55 2xaf s ASP 473 Ca 0.21 0.73 -0.06 0.00 1.18 0.00 0.00 52.55 54.61 2xaf s ASP 473 Cb -0.00 -1.13 0.05 0.00 -0.34 0.00 0.00 42.92 41.50 2xaf s ASP 473 CO 0.05 -2.57 1.47 -0.29 0.68 0.00 0.00 175.17 174.52 2xaf h ILE 474 N -1.52 1.31 -0.75 2.11 6.09 -2.01 -1.98 117.51 120.77 2xaf h ILE 474 Ca -0.47 -1.78 -0.03 0.00 -1.37 0.00 0.00 64.86 61.21 2xaf h ILE 474 Cb 1.31 1.73 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 2xaf h ILE 474 CO 0.55 0.56 0.35 0.71 -3.07 0.00 0.00 178.15 177.25 2xaf h THR 475 N 0.50 1.24 0.00 2.19 1.35 -1.98 0.33 112.91 116.53 2xaf h THR 475 Ca 0.01 -0.67 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 2xaf h THR 475 Cb 1.11 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2xaf h THR 475 CO 0.11 0.28 -0.23 0.00 -0.25 0.00 0.00 175.52 175.44 2xaf h ALA 476 N 1.33 0.99 0.04 6.62 0.00 -1.87 0.05 119.26 126.41 2xaf h ALA 476 Ca 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2xaf h ALA 476 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2xaf h ALA 476 CO -0.03 0.28 -0.02 1.49 0.00 0.00 0.00 179.25 180.98 2xaf h GLU 477 N 0.00 -0.05 -0.71 0.00 4.57 -0.53 -3.22 114.58 114.65 2xaf h GLU 477 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.34 2xaf h GLU 477 Cb 0.79 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.28 2xaf h GLU 477 CO 0.03 0.62 0.09 0.35 -1.18 0.00 0.00 179.01 178.92 2xaf h PHE 478 N -0.89 0.11 -0.23 0.92 3.57 -0.28 -1.18 116.94 118.96 2xaf h PHE 478 Ca -0.00 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2xaf h PHE 478 Cb 0.69 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2xaf h PHE 478 CO 0.17 -0.15 -0.33 1.25 -2.23 0.00 0.00 178.31 177.03 2xaf h LEU 479 N 0.19 -1.04 0.20 0.59 5.85 -1.06 2.05 115.31 122.08 2xaf h LEU 479 Ca 0.39 0.16 0.01 0.00 0.84 0.00 0.00 57.88 59.29 2xaf h LEU 479 Cb 0.67 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2xaf h LEU 479 CO -0.55 -0.35 -0.42 0.58 -0.34 0.00 0.00 178.44 177.37 2xaf h VAL 480 N -0.34 0.16 -0.59 1.05 2.07 -1.26 -1.37 116.25 115.97 2xaf h VAL 480 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2xaf h VAL 480 Cb 0.54 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 2xaf h VAL 480 CO -0.43 0.00 0.16 0.11 0.02 0.00 0.00 177.57 177.44 2xaf h LYS 481 N -0.70 0.30 0.00 1.57 1.79 -0.52 -1.52 116.57 117.49 2xaf h LYS 481 Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2xaf h LYS 481 Cb 0.70 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2xaf h LYS 481 CO -0.20 0.20 0.00 0.45 -1.08 0.00 0.00 179.45 178.83 2xaf n SER 482 N -5.07 0.00 -0.51 0.86 2.88 0.69 -2.53 113.62 109.93 2xaf n SER 482 Ca 0.08 0.49 0.41 0.00 -1.33 0.00 0.00 58.87 58.52 2xaf n SER 482 Cb 0.29 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.41 2xaf n SER 482 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2xaf n LYS 483 N -0.68 -0.02 0.15 -1.46 4.76 -0.58 0.22 118.16 120.55 2xaf n LYS 483 Ca 0.00 1.04 -0.14 0.00 -2.87 0.00 0.00 58.31 56.34 2xaf n LYS 483 Cb 0.00 -2.20 -0.08 0.00 -1.84 0.00 0.00 35.03 30.91 2xaf n LYS 483 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2xaf h HIS 484 N 0.00 -0.30 0.00 2.13 2.76 -0.98 -1.87 115.15 116.89 2xaf h HIS 484 Ca 0.80 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.97 2xaf h HIS 484 Cb 2.89 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 31.95 2xaf h HIS 484 CO -0.00 -0.14 -0.01 -0.09 -1.30 0.00 0.00 177.93 176.39 2xaf h ARG 485 N -0.39 -0.01 -1.02 5.26 2.43 0.06 -1.86 114.38 118.84 2xaf h ARG 485 Ca -0.03 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.43 2xaf h ARG 485 Cb 0.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2xaf h ARG 485 CO 0.05 -0.01 0.91 -0.25 -1.51 0.00 0.00 179.97 179.17 2xaf n ASP 486 N -2.41 0.00 -0.10 -3.80 9.92 -1.05 -0.09 116.55 119.02 2xaf n ASP 486 Ca -0.00 0.60 -0.19 0.00 -0.53 0.00 0.00 54.79 54.67 2xaf n ASP 486 Cb 0.01 -0.25 -0.10 0.00 -0.64 0.00 0.00 41.12 40.13 2xaf n ASP 486 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2xaf h LEU 487 N 0.00 0.00 -1.78 0.64 5.85 -0.84 -2.36 115.31 116.82 2xaf h LEU 487 Ca 0.48 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2xaf h LEU 487 Cb 2.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.33 2xaf h LEU 487 CO -0.01 1.37 0.04 0.71 -0.34 0.00 0.00 178.44 180.21 2xaf h THR 488 N -1.00 1.06 0.64 1.05 1.35 -0.03 -0.33 112.91 115.65 2xaf h THR 488 Ca -0.29 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 2xaf h THR 488 Cb 1.18 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2xaf h THR 488 CO -0.17 0.07 -0.46 0.00 -0.25 0.00 0.00 175.52 174.71 2xaf h ALA 489 N 1.87 -1.12 0.00 6.62 0.00 -0.63 -0.28 119.26 125.71 2xaf h ALA 489 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2xaf h ALA 489 Cb 0.06 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2xaf h ALA 489 CO -0.00 -1.16 0.04 -0.07 0.00 0.00 0.00 179.25 178.06 2xaf h LEU 490 N -1.06 0.00 0.04 0.00 3.38 -0.94 -2.35 115.31 114.38 2xaf h LEU 490 Ca -0.08 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 2xaf h LEU 490 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2xaf h LEU 490 CO 0.04 0.00 -1.84 0.00 0.09 0.00 0.00 178.44 176.72 2xaf h LYS 492 N 0.02 -0.75 -0.91 0.00 3.64 -0.67 -1.10 116.57 116.81 2xaf h LYS 492 Ca -0.35 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2xaf h LYS 492 Cb 2.03 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 33.91 2xaf h LYS 492 CO 0.08 -0.50 -0.54 0.39 -2.27 0.00 0.00 179.45 176.61 2xaf n GLU 493 N -5.00 -0.40 0.30 1.90 1.02 -0.92 -0.39 120.64 117.15 2xaf n GLU 493 Ca -0.09 1.45 0.19 0.00 -0.02 0.00 0.00 57.16 58.69 2xaf n GLU 493 Cb 0.37 -2.14 0.85 0.00 -0.02 0.00 0.00 31.44 30.51 2xaf n GLU 493 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2xaf h TYR 494 N 0.00 0.00 0.05 -0.32 3.20 -1.50 -2.76 116.97 115.64 2xaf h TYR 494 Ca 0.15 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 2xaf h TYR 494 Cb 0.37 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.66 2xaf h TYR 494 CO -1.01 0.01 -0.57 -0.44 -1.64 0.00 0.00 178.16 174.51 2xaf h ASP 495 N 0.00 0.41 0.00 -2.11 3.32 0.63 -2.69 116.42 115.98 2xaf h ASP 495 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 2xaf h ASP 495 Cb 0.35 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2xaf h ASP 495 CO 0.00 1.22 0.13 -0.33 -1.72 0.00 0.00 179.24 178.54 2xaf h GLU 496 N -0.34 0.00 0.08 3.56 5.08 -0.99 -1.29 114.58 120.68 2xaf h GLU 496 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 2xaf h GLU 496 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2xaf h GLU 496 CO 0.11 0.00 -1.65 -0.07 -1.00 0.00 0.00 179.01 176.39 2xaf h LEU 497 N 0.00 0.26 -1.81 1.33 4.07 -1.41 -3.08 115.31 114.67 2xaf h LEU 497 Ca 0.00 -0.77 0.07 0.00 0.08 0.00 0.00 57.88 57.26 2xaf h LEU 497 Cb 0.27 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 2xaf h LEU 497 CO 0.00 1.70 0.27 0.00 -1.08 0.00 0.00 178.44 179.33 2xaf h ALA 498 N -0.16 2.07 -3.00 1.53 0.00 -1.07 0.33 119.26 118.97 2xaf h ALA 498 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2xaf h ALA 498 Cb 1.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2xaf h ALA 498 CO -0.03 -0.16 0.00 -1.91 0.00 0.00 0.00 179.25 177.15 2xaf n GLU 499 N -4.47 0.00 -0.19 0.00 4.07 -0.54 -2.51 120.64 117.00 2xaf n GLU 499 Ca 0.05 0.18 -0.02 0.00 -0.06 0.00 0.00 57.16 57.31 2xaf n GLU 499 Cb 0.30 -0.87 -0.00 0.00 -0.06 0.00 0.00 31.44 30.81 2xaf n GLU 499 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2xaf n THR 500 N -0.55 -0.28 -0.18 6.31 -1.04 -1.06 -1.44 114.28 116.04 2xaf n THR 500 Ca 0.00 1.15 -0.06 0.00 -2.04 0.00 0.00 64.05 63.10 2xaf n THR 500 Cb 0.00 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 2xaf n THR 500 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2xaf h GLN 501 N 0.00 -0.18 -0.74 -2.82 4.15 -0.31 -2.04 115.11 113.17 2xaf h GLN 501 Ca 0.14 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.61 2xaf h GLN 501 Cb 0.26 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2xaf h GLN 501 CO -0.47 -0.12 0.49 0.78 -1.93 0.00 0.00 178.83 177.57 2xaf h GLY 502 N -0.19 1.02 0.49 2.39 0.00 -0.94 -0.96 103.07 104.88 2xaf h GLY 502 Ca 0.21 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2xaf h GLY 502 CO -0.63 0.30 -0.16 0.50 0.00 0.00 0.00 176.54 176.54 2xaf h LYS 503 N 0.88 -0.22 -0.59 4.80 1.57 -1.35 -2.89 116.57 118.78 2xaf h LYS 503 Ca 0.30 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2xaf h LYS 503 Cb 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2xaf h LYS 503 CO -0.09 -0.14 0.11 -0.07 -0.57 0.00 0.00 179.45 178.69 2xaf h LEU 504 N -0.22 0.93 -2.29 2.94 3.38 -1.16 -1.80 115.31 117.09 2xaf h LEU 504 Ca 0.08 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2xaf h LEU 504 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2xaf h LEU 504 CO -0.22 0.94 0.18 -0.33 0.09 0.00 0.00 178.44 179.10 2xaf h GLU 505 N 0.87 0.00 0.01 1.13 5.08 -1.08 -2.82 114.58 117.78 2xaf h GLU 505 Ca 0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.19 2xaf h GLU 505 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2xaf h GLU 505 CO 0.01 0.00 -1.98 -0.85 -1.00 0.00 0.00 179.01 175.19 2xaf n GLU 506 N -3.69 0.61 0.00 2.33 0.28 -1.09 -4.02 120.64 115.06 2xaf n GLU 506 Ca 0.01 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2xaf n GLU 506 Cb 0.29 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.54 2xaf n GLU 506 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2xaf n LYS 507 N -4.14 0.00 0.00 3.44 4.81 -0.70 -0.38 118.16 121.20 2xaf n LYS 507 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 2xaf n LYS 507 Cb 0.84 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.69 2xaf n LYS 507 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2xaf n LEU 508 N 1.08 0.00 0.05 3.14 4.77 -1.19 -4.48 117.00 120.38 2xaf n LEU 508 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2xaf n LEU 508 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2xaf n LEU 508 CO 0.00 0.00 -0.11 1.56 -1.33 0.00 0.00 177.39 177.51 2xaf h GLN 509 N 0.00 0.09 -0.70 3.23 4.20 -0.85 -2.53 115.11 118.55 2xaf h GLN 509 Ca 0.00 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.63 2xaf h GLN 509 Cb 0.00 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 2xaf h GLN 509 CO 0.00 0.96 -0.56 1.49 -0.67 0.00 0.00 178.83 180.05 2xaf h GLU 510 N 0.02 -0.19 0.00 1.46 4.57 -1.17 0.35 114.58 119.62 2xaf h GLU 510 Ca -0.13 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 2xaf h GLU 510 Cb 1.89 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.51 2xaf h GLU 510 CO 0.14 -0.13 -0.57 -0.07 -1.18 0.00 0.00 179.01 177.20 2xaf h LEU 511 N -0.20 0.00 -0.12 1.64 3.38 -1.78 -2.53 115.31 115.69 2xaf h LEU 511 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2xaf h LEU 511 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2xaf h LEU 511 CO -0.77 0.57 0.00 -0.08 0.09 0.00 0.00 178.44 178.25 2xaf h GLU 512 N 0.00 0.00 0.14 1.13 4.81 -0.99 -3.28 114.58 116.39 2xaf h GLU 512 Ca -0.01 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 2xaf h GLU 512 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2xaf h GLU 512 CO 0.07 0.00 -1.47 0.00 -0.73 0.00 0.00 179.01 176.89 2xaf h ALA 513 N 2.45 0.17 -2.15 2.92 0.00 0.13 -3.39 119.26 119.39 2xaf h ALA 513 Ca 0.00 -1.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.20 2xaf h ALA 513 Cb 0.70 0.21 -0.37 0.00 0.00 0.00 0.00 17.79 18.33 2xaf h ALA 513 CO 0.00 1.04 -0.06 0.27 0.00 0.00 0.00 179.25 180.50 2xaf n ASN 514 N -3.51 4.76 -4.77 0.00 6.94 -1.18 -5.05 115.26 112.46 2xaf n ASN 514 Ca -0.15 -3.41 -0.39 0.00 -0.02 0.00 0.00 54.58 50.61 2xaf n ASN 514 Cb 1.05 -0.91 -0.01 0.00 -2.36 0.00 0.00 39.78 37.55 2xaf n ASN 514 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2xaf s PRO 515 N -2.52 3.95 1.23 -0.53 0.04 -1.26 -4.97 135.00 130.94 2xaf s PRO 515 Ca 0.36 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 2xaf s PRO 515 Cb 0.10 -2.68 0.30 0.00 0.04 0.00 0.00 34.50 32.25 2xaf s PRO 515 CO 0.02 -0.46 1.04 -1.25 0.04 0.00 0.00 177.00 176.39 2xaf s PRO 516 N -2.32 -1.44 0.32 0.56 0.04 -1.26 -4.92 135.00 125.99 2xaf s PRO 516 Ca 0.58 0.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 2xaf s PRO 516 Cb -0.35 -1.55 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 2xaf s PRO 516 CO 0.44 -3.91 1.26 0.43 0.04 0.00 0.00 177.00 175.27 2xaf n SER 517 N -4.95 2.55 -0.25 6.66 7.64 -1.26 -4.90 113.62 119.11 2xaf n SER 517 Ca 0.10 1.20 -0.06 0.00 1.01 0.00 0.00 58.87 61.12 2xaf n SER 517 Cb 0.59 -1.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.39 2xaf n SER 517 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2xaf h ASP 518 N 2.69 0.85 -4.55 6.43 1.82 -1.97 -3.47 116.42 118.22 2xaf h ASP 518 Ca -0.45 -0.09 -0.37 0.00 -0.39 0.00 0.00 57.03 55.72 2xaf h ASP 518 Cb 1.29 -0.22 -0.21 0.00 0.68 0.00 0.00 39.33 40.87 2xaf h ASP 518 CO 0.64 0.70 -0.77 0.68 -1.61 0.00 0.00 179.24 178.89 2xaf s VAL 519 N -5.85 0.95 0.00 2.25 -7.23 -1.26 -5.00 120.40 104.26 2xaf s VAL 519 Ca -0.13 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 2xaf s VAL 519 Cb 0.14 -0.94 -0.14 0.00 0.56 0.00 0.00 36.38 36.01 2xaf s VAL 519 CO 0.79 -0.26 1.03 0.22 -0.31 0.00 0.00 175.10 176.57 2xaf h TYR 520 N 4.37 -0.76 -3.66 2.82 3.20 -1.89 -3.47 116.97 117.57 2xaf h TYR 520 Ca -0.39 -0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.19 2xaf h TYR 520 Cb 1.19 0.25 -0.30 0.00 1.54 0.00 0.00 36.73 39.41 2xaf h TYR 520 CO 0.63 -0.45 -0.73 -0.51 -1.64 0.00 0.00 178.16 175.46 2xaf s LEU 521 N -9.47 1.66 1.17 2.82 1.43 -1.26 -5.08 118.68 109.95 2xaf s LEU 521 Ca -0.13 -0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2xaf s LEU 521 Cb 0.01 -0.07 0.27 0.00 0.03 0.00 0.00 46.19 46.44 2xaf s LEU 521 CO 0.40 -0.04 1.11 -0.94 0.23 0.00 0.00 176.35 177.11 2xaf s SER 522 N 0.39 1.16 0.35 2.29 1.04 -1.26 -4.72 113.70 112.95 2xaf s SER 522 Ca -0.03 0.71 0.18 0.00 0.48 0.00 0.00 55.95 57.29 2xaf s SER 522 Cb -0.05 -1.02 0.53 0.00 0.10 0.00 0.00 66.02 65.58 2xaf s SER 522 CO -0.01 -3.98 1.66 0.28 0.98 0.00 0.00 173.24 172.17 2xaf h SER 523 N -2.48 0.00 0.61 7.02 0.02 -2.01 -1.55 113.55 115.16 2xaf h SER 523 Ca -0.46 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.21 2xaf h SER 523 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2xaf h SER 523 CO 0.38 0.40 -1.34 -0.09 -1.14 0.00 0.00 176.83 175.04 2xaf h ARG 524 N 0.00 0.21 0.23 3.45 2.43 -2.00 -3.17 114.38 115.53 2xaf h ARG 524 Ca -0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2xaf h ARG 524 Cb 1.03 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2xaf h ARG 524 CO 0.05 1.10 -0.11 -0.44 -1.51 0.00 0.00 179.97 179.07 2xaf h ASP 525 N 0.06 -0.26 -0.15 -3.80 3.32 -1.89 -2.89 116.42 110.81 2xaf h ASP 525 Ca -0.16 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2xaf h ASP 525 Cb 1.96 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.57 2xaf h ASP 525 CO 0.17 -0.18 0.40 -0.09 -1.72 0.00 0.00 179.24 177.82 2xaf h ARG 526 N -0.32 0.00 -0.19 3.56 9.65 -1.43 1.21 114.38 126.86 2xaf h ARG 526 Ca -0.03 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 2xaf h ARG 526 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2xaf h ARG 526 CO 0.05 0.00 -0.66 1.96 2.80 0.00 0.00 179.97 184.12 2xaf h GLN 527 N 0.00 0.70 -0.03 0.20 4.20 -1.51 -3.05 115.11 115.63 2xaf h GLN 527 Ca 0.07 -0.51 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 2xaf h GLN 527 Cb 0.87 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.74 2xaf h GLN 527 CO -0.00 1.13 -0.56 0.82 -0.67 0.00 0.00 178.83 179.54 2xaf h ILE 528 N 0.51 1.42 -1.27 2.54 2.04 0.17 -2.58 117.51 120.34 2xaf h ILE 528 Ca -0.02 -2.01 0.37 0.00 1.00 0.00 0.00 64.86 64.21 2xaf h ILE 528 Cb 1.26 2.50 -0.09 0.00 -0.74 0.00 0.00 36.82 39.75 2xaf h ILE 528 CO 0.13 0.59 0.85 0.25 0.00 0.00 0.00 178.15 179.97 2xaf h LEU 529 N -0.06 0.22 -0.88 1.44 5.85 -1.38 0.23 115.31 120.72 2xaf h LEU 529 Ca -0.06 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2xaf h LEU 529 Cb 1.26 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2xaf h LEU 529 CO 0.11 -0.03 -0.19 0.44 -0.34 0.00 0.00 178.44 178.44 2xaf h ASP 530 N 0.15 0.62 0.04 1.25 3.32 -1.34 -1.09 116.42 119.37 2xaf h ASP 530 Ca 0.69 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.50 2xaf h ASP 530 Cb 2.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.65 2xaf h ASP 530 CO -0.23 0.81 -0.12 -0.25 -1.72 0.00 0.00 179.24 177.74 2xaf h TRP 531 N 0.56 0.20 0.00 4.55 7.01 -0.51 0.23 115.95 127.99 2xaf h TRP 531 Ca 0.09 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 2xaf h TRP 531 Cb 0.63 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 2xaf h TRP 531 CO 0.03 0.31 -0.33 0.45 -2.79 0.00 0.00 178.44 176.12 2xaf h HIS 532 N 0.19 0.00 0.05 2.65 3.86 -0.97 0.12 115.15 121.04 2xaf h HIS 532 Ca 0.04 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.02 2xaf h HIS 532 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2xaf h HIS 532 CO 0.00 0.33 -1.06 0.74 0.86 0.00 0.00 177.93 178.80 2xaf h PHE 533 N 0.00 0.25 -0.48 2.45 0.04 0.07 -3.03 116.94 116.24 2xaf h PHE 533 Ca -0.00 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.49 2xaf h PHE 533 Cb 0.90 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2xaf h PHE 533 CO 0.00 1.10 -0.14 0.00 -0.60 0.00 0.00 178.31 178.67 2xaf h ALA 534 N 0.84 0.85 -0.71 2.45 0.00 -0.23 0.29 119.26 122.75 2xaf h ALA 534 Ca -0.06 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.62 2xaf h ALA 534 Cb 1.78 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 2xaf h ALA 534 CO 0.16 0.65 0.29 -0.97 0.00 0.00 0.00 179.25 179.38 2xaf h ASN 535 N 0.81 0.30 -0.72 0.00 -0.00 -0.96 0.33 115.58 115.34 2xaf h ASN 535 Ca 0.12 0.09 -0.07 0.00 -0.00 0.00 0.00 56.30 56.45 2xaf h ASN 535 Cb 0.67 0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 39.02 2xaf h ASN 535 CO 0.05 0.14 0.19 0.25 -0.00 0.00 0.00 177.43 178.07 2xaf h LEU 536 N 0.47 1.08 -1.53 0.34 5.85 -1.34 -0.99 115.31 119.19 2xaf h LEU 536 Ca 0.38 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2xaf h LEU 536 Cb 0.52 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2xaf h LEU 536 CO -0.35 1.03 0.39 -0.33 -0.34 0.00 0.00 178.44 178.83 2xaf h GLU 537 N 1.09 0.57 0.37 1.25 4.39 0.24 -1.50 114.58 120.99 2xaf h GLU 537 Ca 0.23 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2xaf h GLU 537 Cb 0.35 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2xaf h GLU 537 CO -0.00 0.37 -0.18 0.35 -1.16 0.00 0.00 179.01 178.40 2xaf h PHE 538 N 0.58 -0.46 -0.99 4.33 3.57 -0.55 0.14 116.94 123.57 2xaf h PHE 538 Ca 0.25 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.06 2xaf h PHE 538 Cb 0.26 0.15 -0.18 0.00 2.79 0.00 0.00 35.95 38.97 2xaf h PHE 538 CO -0.00 -0.24 0.17 0.00 -2.23 0.00 0.00 178.31 176.01 2xaf n ALA 539 N -2.71 0.65 0.93 2.41 0.00 -0.41 -0.58 120.51 120.80 2xaf n ALA 539 Ca -0.07 1.04 0.11 0.00 0.00 0.00 0.00 53.44 54.52 2xaf n ALA 539 Cb 0.22 -0.84 0.05 0.00 0.00 0.00 0.00 19.45 18.88 2xaf n ALA 539 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2xaf n ASN 540 N -5.40 2.47 -3.59 0.00 3.02 -0.59 -4.98 115.26 106.18 2xaf n ASN 540 Ca 0.27 -1.74 -0.21 0.00 -0.03 0.00 0.00 54.58 52.88 2xaf n ASN 540 Cb 0.91 0.20 0.05 0.00 -0.61 0.00 0.00 39.78 40.33 2xaf n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xaf n ALA 541 N 0.71 -2.12 -3.65 5.41 0.00 0.35 -4.72 120.51 116.49 2xaf n ALA 541 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2xaf n ALA 541 Cb 0.51 -2.69 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 2xaf n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2xaf s THR 542 N -3.56 0.00 0.02 0.00 -1.32 -0.43 -1.72 115.64 108.64 2xaf s THR 542 Ca 0.10 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.25 2xaf s THR 542 Cb -0.02 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.85 2xaf s THR 542 CO 0.79 0.00 1.82 -2.65 -2.21 0.00 0.00 174.62 172.37 2xaf n PRO 543 N 0.73 2.37 0.00 7.08 -0.02 -1.26 -4.41 135.00 139.49 2xaf n PRO 543 Ca -0.02 0.86 0.01 0.00 -2.02 0.00 0.00 63.50 62.34 2xaf n PRO 543 Cb 0.59 -2.72 0.06 0.00 -0.02 0.00 0.00 33.50 31.41 2xaf n PRO 543 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2xaf n LEU 544 N 5.82 0.00 0.00 2.45 4.77 -1.26 0.32 117.00 129.10 2xaf n LEU 544 Ca 0.20 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 2xaf n LEU 544 Cb 0.32 -0.35 0.58 0.00 -2.33 0.00 0.00 43.42 41.64 2xaf n LEU 544 CO 0.69 -0.32 0.90 -1.54 -1.33 0.00 0.00 177.39 175.79 2xaf n SER 545 N -1.35 0.00 -0.07 -1.43 3.41 -1.26 0.37 113.62 113.30 2xaf n SER 545 Ca 0.01 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2xaf n SER 545 Cb 0.02 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 2xaf n SER 545 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2xaf n THR 546 N -1.37 0.92 -1.72 6.66 -2.24 0.15 -4.72 114.28 111.96 2xaf n THR 546 Ca 0.09 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 2xaf n THR 546 Cb 0.23 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 2xaf n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2xaf n LEU 547 N -2.63 3.99 -4.70 3.22 4.77 -1.23 0.32 117.00 120.74 2xaf n LEU 547 Ca -0.24 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 2xaf n LEU 547 Cb 0.90 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 2xaf n LEU 547 CO 0.25 0.07 1.37 -0.55 -1.33 0.00 0.00 177.39 177.19 2xaf s SER 548 N 0.79 6.51 0.10 -1.43 0.15 -0.15 -1.48 113.70 118.19 2xaf s SER 548 Ca 0.70 2.65 -0.24 0.00 0.70 0.00 0.00 55.95 59.76 2xaf s SER 548 Cb -0.53 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.08 2xaf s SER 548 CO 0.41 -0.93 1.71 0.25 1.20 0.00 0.00 173.24 175.88 2xaf h LEU 549 N 8.06 -0.19 -1.76 3.45 5.85 -1.71 0.61 115.31 129.63 2xaf h LEU 549 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2xaf h LEU 549 Cb 1.21 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2xaf h LEU 549 CO 0.94 -0.11 0.14 0.50 -0.34 0.00 0.00 178.44 179.57 2xaf h LYS 550 N -0.15 0.30 0.00 1.25 3.64 -1.90 -3.32 116.57 116.38 2xaf h LYS 550 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2xaf h LYS 550 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2xaf h LYS 550 CO -0.03 0.21 -0.22 0.72 -2.27 0.00 0.00 179.45 177.86 2xaf n HIS 551 N -4.49 0.00 0.32 1.91 8.25 -1.17 -4.83 115.22 115.21 2xaf n HIS 551 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2xaf n HIS 551 Cb 0.08 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.27 2xaf n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2xaf h TRP 552 N 0.00 0.00 0.00 4.41 5.08 -0.98 0.40 115.95 124.86 2xaf h TRP 552 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2xaf h TRP 552 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2xaf h TRP 552 CO 0.00 0.00 -0.19 -0.40 -1.28 0.00 0.00 178.44 176.57 2xaf n ASP 553 N -2.49 0.92 -0.28 0.11 5.75 -1.26 -4.77 116.55 114.53 2xaf n ASP 553 Ca -0.00 -2.09 0.34 0.00 -0.01 0.00 0.00 54.79 53.02 2xaf n ASP 553 Cb 0.92 -0.19 0.70 0.00 -1.03 0.00 0.00 41.12 41.52 2xaf n ASP 553 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2xaf h GLN 554 N 0.00 0.00 0.00 0.11 -0.00 -0.52 0.25 115.11 114.95 2xaf h GLN 554 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2xaf h GLN 554 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 2xaf h GLN 554 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 178.43 2xaf n ASP 555 N -3.87 0.00 0.00 0.06 5.75 -1.26 -3.96 116.55 113.27 2xaf n ASP 555 Ca 0.24 0.41 0.03 0.00 -0.01 0.00 0.00 54.79 55.47 2xaf n ASP 555 Cb 1.29 -0.47 0.16 0.00 -1.03 0.00 0.00 41.12 41.07 2xaf n ASP 555 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2xaf n ASP 556 N -1.47 0.00 0.08 -1.12 9.92 0.88 -0.37 116.55 124.48 2xaf n ASP 556 Ca 0.07 0.23 -0.04 0.00 -0.53 0.00 0.00 54.79 54.51 2xaf n ASP 556 Cb 0.29 -0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 2xaf n ASP 556 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2xaf h ASP 557 N 0.00 0.00 -0.62 -2.24 5.19 -1.78 -3.35 116.42 113.61 2xaf h ASP 557 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2xaf h ASP 557 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2xaf h ASP 557 CO 0.00 0.86 0.00 0.49 -3.12 0.00 0.00 179.24 177.47 2xaf n PHE 558 N -3.35 0.89 -1.49 4.55 3.72 0.51 -5.00 117.46 117.29 2xaf n PHE 558 Ca 0.00 -0.52 -0.49 0.00 -0.05 0.00 0.00 57.45 56.40 2xaf n PHE 558 Cb 0.87 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 39.34 2xaf n PHE 558 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2xaf n GLU 559 N 1.28 0.51 -1.77 -1.08 2.13 -1.23 -4.99 120.64 115.48 2xaf n GLU 559 Ca 0.21 0.18 -0.30 0.00 0.66 0.00 0.00 57.16 57.91 2xaf n GLU 559 Cb 0.60 -1.43 0.06 0.00 0.27 0.00 0.00 31.44 30.94 2xaf n GLU 559 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2xaf s PHE 560 N -0.70 3.19 0.22 4.31 0.08 -1.26 -5.07 117.98 118.75 2xaf s PHE 560 Ca 0.69 1.10 0.08 0.00 0.12 0.00 0.00 56.93 58.92 2xaf s PHE 560 Cb -0.92 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 38.43 2xaf s PHE 560 CO 0.56 -1.33 0.04 0.95 -0.10 0.00 0.00 175.22 175.34 2xaf s THR 561 N -3.28 3.76 0.00 0.64 -4.23 -1.18 -4.90 115.64 106.45 2xaf s THR 561 Ca 0.59 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2xaf s THR 561 Cb -0.12 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2xaf s THR 561 CO 0.53 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2xaf n GLY 562 N -0.62 0.90 3.91 3.99 0.00 -1.26 0.04 105.19 112.15 2xaf n GLY 562 Ca -0.08 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 2xaf n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xaf s SER 563 N -0.10 6.21 0.64 1.61 1.04 -1.26 -4.61 113.70 117.23 2xaf s SER 563 Ca 0.00 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.42 2xaf s SER 563 Cb 0.00 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 2xaf s SER 563 CO 0.00 0.11 1.29 -1.00 0.98 0.00 0.00 173.24 174.63 2xaf s HIS 564 N -1.62 2.10 0.41 5.02 0.09 -1.26 -3.88 115.29 116.16 2xaf s HIS 564 Ca 0.34 1.48 0.04 0.00 -0.00 0.00 0.00 55.06 56.92 2xaf s HIS 564 Cb -0.12 -3.69 -0.02 0.00 -0.00 0.00 0.00 32.58 28.75 2xaf s HIS 564 CO 0.27 -2.89 0.16 -0.51 -0.00 0.00 0.00 174.74 171.77 2xaf s LEU 565 N -4.30 1.96 0.10 0.89 1.02 -0.31 -1.66 118.68 116.38 2xaf s LEU 565 Ca 0.82 -1.73 0.00 0.00 0.02 0.00 0.00 54.13 53.24 2xaf s LEU 565 Cb -0.37 0.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.80 2xaf s LEU 565 CO 0.40 -0.99 -0.02 0.42 0.02 0.00 0.00 176.35 176.18 2xaf s THR 566 N -3.20 0.43 -0.38 5.49 -4.23 0.59 -1.44 115.64 112.90 2xaf s THR 566 Ca 0.24 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 2xaf s THR 566 Cb 0.02 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 72.07 2xaf s THR 566 CO 0.16 -0.75 0.27 -0.69 -0.54 0.00 0.00 174.62 173.07 2xaf s VAL 567 N -3.80 5.22 0.32 2.29 1.01 -1.14 -2.22 120.40 122.07 2xaf s VAL 567 Ca 0.15 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2xaf s VAL 567 Cb 0.07 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2xaf s VAL 567 CO -0.03 -0.18 1.72 -0.09 0.00 0.00 0.00 175.10 176.51 2xaf h ARG 568 N 8.56 0.05 -0.54 2.72 2.43 -1.02 -3.09 114.38 123.49 2xaf h ARG 568 Ca -0.29 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.69 2xaf h ARG 568 Cb 1.13 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 2xaf h ARG 568 CO 0.69 0.52 0.14 0.27 -1.51 0.00 0.00 179.97 180.08 2xaf n ASN 569 N -3.97 4.08 -0.13 -3.80 6.94 -1.26 -4.63 115.26 112.48 2xaf n ASN 569 Ca -0.02 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.25 2xaf n ASN 569 Cb 0.50 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 2xaf n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xaf n GLY 570 N -0.48 -3.25 0.26 4.83 0.00 -1.17 -4.69 105.19 100.68 2xaf n GLY 570 Ca 0.35 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.48 2xaf n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xaf h TYR 571 N 0.00 0.23 -1.06 1.61 5.03 -1.86 -2.96 116.97 117.95 2xaf h TYR 571 Ca 0.00 -0.01 0.29 0.00 2.58 0.00 0.00 58.73 61.59 2xaf h TYR 571 Cb 0.00 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.14 2xaf h TYR 571 CO 0.00 0.26 0.72 0.66 -1.32 0.00 0.00 178.16 178.48 2xaf h SER 572 N 0.22 0.25 -1.05 -2.11 4.64 -1.85 0.32 113.55 113.97 2xaf h SER 572 Ca 0.05 0.05 0.31 0.00 -0.47 0.00 0.00 61.79 61.72 2xaf h SER 572 Cb 0.19 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 2xaf h SER 572 CO 0.01 0.05 1.14 0.00 -0.87 0.00 0.00 176.83 177.15 2xaf h VAL 574 N 0.00 1.29 -0.42 0.00 2.07 -0.62 -2.92 116.25 115.65 2xaf h VAL 574 Ca 0.50 -2.01 0.04 0.00 0.82 0.00 0.00 66.70 66.05 2xaf h VAL 574 Cb 2.77 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 34.98 2xaf h VAL 574 CO -0.01 0.44 0.17 -0.65 0.02 0.00 0.00 177.57 177.54 2xaf h PRO 575 N -1.00 0.34 -0.80 1.57 0.11 -1.55 -1.07 132.00 129.60 2xaf h PRO 575 Ca -0.03 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.11 2xaf h PRO 575 Cb 0.80 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 2xaf h PRO 575 CO -0.02 0.23 0.52 0.28 -0.21 0.00 0.00 178.00 178.80 2xaf h VAL 576 N 0.35 1.08 -0.71 3.15 2.07 -1.47 0.50 116.25 121.23 2xaf h VAL 576 Ca 0.19 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2xaf h VAL 576 Cb 0.15 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 2xaf h VAL 576 CO -0.17 0.17 0.27 0.00 0.02 0.00 0.00 177.57 177.86 2xaf h ALA 577 N 1.55 0.92 0.15 1.67 0.00 -1.22 -3.20 119.26 119.12 2xaf h ALA 577 Ca 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2xaf h ALA 577 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2xaf h ALA 577 CO -0.11 0.55 -0.07 -0.07 0.00 0.00 0.00 179.25 179.55 2xaf h LEU 578 N 1.01 -0.17 -0.10 0.00 3.38 0.11 -3.09 115.31 116.45 2xaf h LEU 578 Ca 0.23 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2xaf h LEU 578 Cb 0.22 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2xaf h LEU 578 CO -0.02 0.32 0.85 0.00 0.09 0.00 0.00 178.44 179.68 2xaf n ALA 579 N -2.47 0.10 -2.53 1.53 0.00 0.54 -4.66 120.51 113.02 2xaf n ALA 579 Ca -0.08 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2xaf n ALA 579 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 2xaf n ALA 579 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2xaf s GLU 580 N -3.54 4.32 0.00 0.00 -6.30 -1.17 -2.92 118.70 109.09 2xaf s GLU 580 Ca -0.00 1.57 0.00 0.00 -2.50 0.00 0.00 54.97 54.03 2xaf s GLU 580 Cb 0.01 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.52 2xaf s GLU 580 CO 0.05 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.22 2xaf n GLY 581 N 3.37 0.85 3.16 -1.50 0.00 -1.26 -5.08 105.19 104.72 2xaf n GLY 581 Ca 0.11 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 2xaf n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xaf s LEU 582 N 0.00 2.28 -0.62 0.99 1.43 -1.15 -5.09 118.68 116.52 2xaf s LEU 582 Ca 0.00 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.23 2xaf s LEU 582 Cb 0.00 -0.46 0.05 0.00 0.03 0.00 0.00 46.19 45.81 2xaf s LEU 582 CO 0.00 -0.11 1.02 -0.62 0.23 0.00 0.00 176.35 176.88 2xaf s ASP 583 N -1.77 6.26 -0.07 2.29 2.15 -1.26 -4.99 116.67 119.27 2xaf s ASP 583 Ca -0.02 -0.57 0.03 0.00 0.43 0.00 0.00 52.55 52.41 2xaf s ASP 583 Cb -0.09 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2xaf s ASP 583 CO 0.02 -1.42 -0.15 -0.63 -0.17 0.00 0.00 175.17 172.82 2xaf s ILE 584 N 4.36 1.35 -0.57 4.11 1.01 -1.26 -1.04 121.20 129.16 2xaf s ILE 584 Ca 0.29 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 2xaf s ILE 584 Cb -0.13 -1.21 0.15 0.00 0.01 0.00 0.00 42.46 41.27 2xaf s ILE 584 CO 0.16 0.40 0.45 -0.54 0.00 0.00 0.00 174.94 175.40 2xaf s LYS 585 N 0.60 2.72 0.64 2.79 -0.14 0.47 -4.98 119.74 121.84 2xaf s LYS 585 Ca -0.15 -2.03 -0.14 0.00 -1.36 0.00 0.00 55.97 52.29 2xaf s LYS 585 Cb -0.16 -4.00 -0.02 0.00 -1.68 0.00 0.00 37.83 31.97 2xaf s LYS 585 CO 0.05 -1.22 1.06 -0.51 -0.76 0.00 0.00 175.35 173.97 2xaf s LEU 586 N 0.90 3.36 -1.14 3.17 1.43 -1.26 -1.78 118.68 123.36 2xaf s LEU 586 Ca 0.10 1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 2xaf s LEU 586 Cb -0.23 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.44 2xaf s LEU 586 CO -0.02 -1.32 0.90 0.59 0.23 0.00 0.00 176.35 176.72 2xaf n ASN 587 N -2.47 -4.51 -3.45 2.29 3.02 0.13 -4.89 115.26 105.38 2xaf n ASN 587 Ca 0.08 -0.74 -0.19 0.00 -0.03 0.00 0.00 54.58 53.71 2xaf n ASN 587 Cb 0.53 -4.82 -0.11 0.00 -0.61 0.00 0.00 39.78 34.77 2xaf n ASN 587 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2xaf s THR 588 N -3.43 -0.35 -0.45 3.41 2.01 0.33 -3.09 115.64 114.07 2xaf s THR 588 Ca 0.28 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 2xaf s THR 588 Cb -0.05 -0.85 0.08 0.00 0.01 0.00 0.00 72.50 71.68 2xaf s THR 588 CO 0.76 -0.37 0.33 0.00 -0.69 0.00 0.00 174.62 174.65 2xaf s ALA 589 N 2.33 3.44 0.26 7.40 0.00 0.12 -2.70 121.76 132.61 2xaf s ALA 589 Ca 0.08 -2.14 -0.31 0.00 0.00 0.00 0.00 51.96 49.60 2xaf s ALA 589 Cb -0.15 -2.88 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 2xaf s ALA 589 CO -0.24 -1.70 1.62 0.08 0.00 0.00 0.00 175.76 175.53 2xaf s VAL 590 N 1.54 2.12 0.00 0.00 1.01 -1.26 -1.54 120.40 122.27 2xaf s VAL 590 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2xaf s VAL 590 Cb -0.24 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2xaf s VAL 590 CO 0.04 0.01 0.00 0.54 0.00 0.00 0.00 175.10 175.70 2xaf n ARG 591 N 2.87 3.24 -3.73 2.72 5.12 0.31 -4.67 116.66 122.52 2xaf n ARG 591 Ca 0.11 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 2xaf n ARG 591 Cb 0.37 -1.00 -0.13 0.00 -1.16 0.00 0.00 32.46 30.54 2xaf n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2xaf s GLN 592 N -1.99 0.20 -0.17 5.56 0.74 -0.73 -1.89 119.66 121.39 2xaf s GLN 592 Ca 0.00 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 55.88 2xaf s GLN 592 Cb 0.00 -0.10 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 2xaf s GLN 592 CO 0.00 -0.15 -0.04 0.08 -0.55 0.00 0.00 175.29 174.63 2xaf s VAL 593 N 1.17 3.83 -0.08 1.34 1.01 0.85 -1.61 120.40 126.90 2xaf s VAL 593 Ca -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2xaf s VAL 593 Cb -0.10 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2xaf s VAL 593 CO -0.08 0.48 -0.11 -0.13 0.00 0.00 0.00 175.10 175.26 2xaf s ARG 594 N 0.55 1.65 -0.01 2.72 0.52 -0.85 0.50 118.95 124.02 2xaf s ARG 594 Ca -0.03 -0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2xaf s ARG 594 Cb -0.14 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.86 2xaf s ARG 594 CO 0.03 -0.08 0.01 1.52 0.02 0.00 0.00 175.30 176.80 2xaf s TYR 595 N 1.03 -0.00 0.21 -0.53 1.13 -0.50 -0.26 117.35 118.43 2xaf s TYR 595 Ca -0.08 0.05 -0.00 0.00 -1.41 0.00 0.00 57.07 55.63 2xaf s TYR 595 Cb -0.15 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 2xaf s TYR 595 CO -0.01 -0.02 0.14 0.95 -2.51 0.00 0.00 175.55 174.10 2xaf s THR 596 N 0.22 0.01 0.39 -3.49 -4.23 0.97 -4.40 115.64 105.11 2xaf s THR 596 Ca -0.02 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.74 2xaf s THR 596 Cb -0.03 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.71 2xaf s THR 596 CO -0.01 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.66 2xaf h ALA 597 N 2.57 2.38 -0.13 3.99 0.00 -1.91 -1.52 119.26 124.65 2xaf h ALA 597 Ca -0.35 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2xaf h ALA 597 Cb 1.25 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2xaf h ALA 597 CO 0.52 -1.12 0.00 -1.13 0.00 0.00 0.00 179.25 177.52 2xaf n SER 598 N -5.05 2.29 0.00 0.00 3.41 -1.26 -4.88 113.62 108.12 2xaf n SER 598 Ca 0.38 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2xaf n SER 598 Cb 1.35 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 2xaf n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xaf n GLY 599 N -0.05 0.11 3.39 5.00 0.00 -0.57 -4.97 105.19 108.09 2xaf n GLY 599 Ca 0.05 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 2xaf n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaf s GLU 601 N -2.96 0.99 -0.13 0.00 -1.05 0.63 -0.81 118.70 115.38 2xaf s GLU 601 Ca 0.21 -0.40 0.02 0.00 -0.15 0.00 0.00 54.97 54.65 2xaf s GLU 601 Cb -0.06 -0.94 -0.00 0.00 -0.44 0.00 0.00 34.13 32.68 2xaf s GLU 601 CO 0.09 0.22 -0.19 0.08 0.95 0.00 0.00 175.26 176.41 2xaf s VAL 602 N -0.15 2.39 -0.24 1.83 1.01 0.62 -2.01 120.40 123.85 2xaf s VAL 602 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2xaf s VAL 602 Cb -0.06 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2xaf s VAL 602 CO -0.00 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 174.96 2xaf s ILE 603 N 0.54 3.03 0.31 2.22 1.01 -0.63 -0.75 121.20 126.93 2xaf s ILE 603 Ca -0.12 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.75 2xaf s ILE 603 Cb -0.16 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 2xaf s ILE 603 CO 0.04 0.26 -0.09 0.00 0.00 0.00 0.00 174.94 175.16 2xaf s ALA 604 N 1.37 2.67 0.42 9.38 0.00 -0.78 -0.53 121.76 134.30 2xaf s ALA 604 Ca 0.02 -1.99 0.06 0.00 0.00 0.00 0.00 51.96 50.05 2xaf s ALA 604 Cb -0.16 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 2xaf s ALA 604 CO -0.04 0.03 0.01 0.14 0.00 0.00 0.00 175.76 175.90 2xaf s VAL 605 N -2.78 1.90 -0.07 0.00 -7.23 -0.59 -1.22 120.40 110.42 2xaf s VAL 605 Ca 0.31 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.25 2xaf s VAL 605 Cb 0.02 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2xaf s VAL 605 CO 0.14 0.00 0.70 0.21 -0.31 0.00 0.00 175.10 175.84 2xaf s ASN 606 N -3.73 6.99 0.47 4.85 2.47 -1.08 0.14 114.94 125.05 2xaf s ASN 606 Ca 0.32 1.19 0.26 0.00 0.42 0.00 0.00 52.86 55.04 2xaf s ASN 606 Cb 0.09 -2.41 1.08 0.00 -1.45 0.00 0.00 41.25 38.56 2xaf s ASN 606 CO 0.16 -0.12 1.89 0.71 -3.72 0.00 0.00 177.10 176.03 2xaf h THR 607 N 4.76 0.50 0.03 -5.21 1.35 -1.87 -3.14 112.91 109.32 2xaf h THR 607 Ca -0.41 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2xaf h THR 607 Cb 1.20 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 2xaf h THR 607 CO 0.75 0.18 -0.02 0.03 -0.25 0.00 0.00 175.52 176.22 2xaf h ARG 608 N 0.00 -0.04 -4.70 4.72 3.08 -1.94 -3.41 114.38 112.09 2xaf h ARG 608 Ca -0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2xaf h ARG 608 Cb 0.64 0.01 -0.24 0.00 0.08 0.00 0.00 29.97 30.46 2xaf h ARG 608 CO 0.02 -0.03 -0.54 -1.54 -1.07 0.00 0.00 179.97 176.81 2xaf s SER 609 N -4.72 5.60 0.19 7.04 1.04 -1.25 -5.01 113.70 116.59 2xaf s SER 609 Ca -0.01 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 2xaf s SER 609 Cb 0.00 -2.00 0.11 0.00 0.10 0.00 0.00 66.02 64.23 2xaf s SER 609 CO 0.02 -0.28 1.52 0.71 0.98 0.00 0.00 173.24 176.19 2xaf h THR 610 N 5.77 1.31 0.00 2.02 1.35 -1.79 -3.01 112.91 118.56 2xaf h THR 610 Ca -0.29 -1.72 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 2xaf h THR 610 Cb 1.13 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2xaf h THR 610 CO 0.64 0.54 -0.02 0.77 -0.25 0.00 0.00 175.52 177.20 2xaf h SER 611 N 0.48 0.00 -2.12 5.36 4.64 -1.95 -3.38 113.55 116.58 2xaf h SER 611 Ca 0.02 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.83 2xaf h SER 611 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2xaf h SER 611 CO 0.10 0.02 1.35 -1.58 -0.87 0.00 0.00 176.83 175.85 2xaf s GLN 612 N -4.22 2.75 0.11 4.77 -0.44 -1.14 -4.97 119.66 116.52 2xaf s GLN 612 Ca -0.04 0.82 0.01 0.00 -2.50 0.00 0.00 55.36 53.65 2xaf s GLN 612 Cb 0.13 -4.35 -0.04 0.00 -1.64 0.00 0.00 33.01 27.11 2xaf s GLN 612 CO 0.49 -2.57 0.26 0.99 0.50 0.00 0.00 175.29 174.96 2xaf s THR 613 N 8.76 5.34 -0.01 -0.34 2.01 -1.26 -2.64 115.64 127.49 2xaf s THR 613 Ca 0.71 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2xaf s THR 613 Cb -0.15 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 2xaf s THR 613 CO 0.24 0.02 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.76 2xaf s PHE 614 N -1.64 0.65 -0.07 4.92 0.08 -0.36 -4.99 117.98 116.57 2xaf s PHE 614 Ca 0.35 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.32 2xaf s PHE 614 Cb -0.12 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 2xaf s PHE 614 CO 0.28 -0.02 -0.18 0.42 -0.10 0.00 0.00 175.22 175.62 2xaf s ILE 615 N -0.13 1.54 -0.12 0.64 -1.09 -1.26 -1.87 121.20 118.91 2xaf s ILE 615 Ca 0.02 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2xaf s ILE 615 Cb -0.03 -1.35 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 2xaf s ILE 615 CO -0.00 0.44 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.61 2xaf s TYR 616 N 0.33 2.59 -0.17 3.97 1.51 0.07 -4.97 117.35 120.68 2xaf s TYR 616 Ca -0.12 -1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 54.71 2xaf s TYR 616 Cb -0.15 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2xaf s TYR 616 CO 0.05 -0.50 0.04 0.15 -1.11 0.00 0.00 175.55 174.18 2xaf s LYS 617 N 0.55 3.88 0.27 -0.62 -0.14 -1.26 -0.28 119.74 122.14 2xaf s LYS 617 Ca -0.14 -0.37 -0.08 0.00 -1.36 0.00 0.00 55.97 54.02 2xaf s LYS 617 Cb -0.17 -3.14 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 2xaf s LYS 617 CO 0.04 0.30 0.44 0.00 -0.76 0.00 0.00 175.35 175.36 2xaf h ASP 619 N 2.26 0.32 -4.14 0.00 3.32 -0.78 -0.18 116.42 117.21 2xaf h ASP 619 Ca -0.28 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.28 2xaf h ASP 619 Cb 1.25 -0.10 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 2xaf h ASP 619 CO 0.39 1.28 -0.31 0.00 -1.72 0.00 0.00 179.24 178.88 2xaf s ALA 620 N -2.66 -0.82 -0.17 3.45 0.00 -1.14 -4.48 121.76 115.93 2xaf s ALA 620 Ca -0.04 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 2xaf s ALA 620 Cb 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2xaf s ALA 620 CO 0.86 -0.18 0.01 0.08 0.00 0.00 0.00 175.76 176.53 2xaf s VAL 621 N -0.20 4.29 -0.20 0.00 1.01 -0.91 -1.92 120.40 122.47 2xaf s VAL 621 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2xaf s VAL 621 Cb -0.03 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2xaf s VAL 621 CO 0.01 0.47 -0.02 -0.22 0.00 0.00 0.00 175.10 175.34 2xaf s LEU 622 N 0.42 3.10 -0.40 3.92 2.96 0.21 -0.17 118.68 128.72 2xaf s LEU 622 Ca -0.01 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 2xaf s LEU 622 Cb -0.13 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.83 2xaf s LEU 622 CO 0.02 0.05 0.25 0.00 -1.32 0.00 0.00 176.35 175.34 2xaf n THR 624 N 4.98 2.80 -1.84 0.00 -2.24 0.31 -2.93 114.28 115.37 2xaf n THR 624 Ca -0.11 -1.87 -0.42 0.00 -2.27 0.00 0.00 64.05 59.38 2xaf n THR 624 Cb 0.44 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 2xaf n THR 624 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2xaf s LEU 625 N -3.03 4.36 0.68 3.22 1.43 -1.25 -4.87 118.68 119.22 2xaf s LEU 625 Ca 0.52 2.84 -0.17 0.00 -1.03 0.00 0.00 54.13 56.29 2xaf s LEU 625 Cb 0.42 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2xaf s LEU 625 CO 0.11 -0.87 0.65 -2.65 0.23 0.00 0.00 176.35 173.82 2xaf n PRO 626 N 2.68 0.43 -0.19 1.29 -0.02 -1.26 -4.77 135.00 133.16 2xaf n PRO 626 Ca 0.10 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 2xaf n PRO 626 Cb 0.38 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2xaf n PRO 626 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2xaf h LEU 627 N -0.15 1.00 -0.65 2.45 5.85 -1.92 0.05 115.31 121.93 2xaf h LEU 627 Ca -0.46 -0.32 0.13 0.00 0.84 0.00 0.00 57.88 58.07 2xaf h LEU 627 Cb 1.36 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.99 2xaf h LEU 627 CO 0.45 1.08 -0.18 1.23 -0.34 0.00 0.00 178.44 180.67 2xaf h GLY 628 N 0.90 0.41 0.89 3.75 0.00 -1.84 0.15 103.07 107.32 2xaf h GLY 628 Ca 0.16 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 2xaf h GLY 628 CO 0.03 -0.25 0.04 -2.08 0.00 0.00 0.00 176.54 174.29 2xaf h VAL 629 N -0.02 1.12 0.00 4.60 2.07 -1.43 -1.60 116.25 121.00 2xaf h VAL 629 Ca 0.31 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2xaf h VAL 629 Cb 0.49 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2xaf h VAL 629 CO -0.68 0.11 0.03 -0.07 0.02 0.00 0.00 177.57 176.98 2xaf h LEU 630 N 0.01 0.00 0.00 2.57 3.38 -0.11 -1.89 115.31 119.27 2xaf h LEU 630 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2xaf h LEU 630 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2xaf h LEU 630 CO -0.00 0.00 -1.39 0.29 0.09 0.00 0.00 178.44 177.43 2xaf n LYS 631 N -2.52 0.63 -1.59 1.13 5.02 0.44 -4.98 118.16 116.28 2xaf n LYS 631 Ca -0.02 0.04 -0.51 0.00 -2.02 0.00 0.00 58.31 55.80 2xaf n LYS 631 Cb 0.07 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 2xaf n LYS 631 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2xaf n GLN 632 N -2.59 1.18 -4.01 1.97 6.02 -0.71 -4.96 117.38 114.28 2xaf n GLN 632 Ca -0.04 0.42 -0.31 0.00 -0.01 0.00 0.00 57.00 57.07 2xaf n GLN 632 Cb 0.61 -2.03 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 2xaf n GLN 632 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2xaf s GLN 633 N 0.25 2.15 0.61 -1.09 2.00 -1.26 -2.84 119.66 119.48 2xaf s GLN 633 Ca 0.81 -0.79 -0.07 0.00 -2.00 0.00 0.00 55.36 53.31 2xaf s GLN 633 Cb -0.92 -2.37 0.01 0.00 0.80 0.00 0.00 33.01 30.53 2xaf s GLN 633 CO 0.48 -0.38 0.94 -1.25 -0.50 0.00 0.00 175.29 174.58 2xaf s PRO 634 N 1.40 2.93 0.47 1.67 0.05 -1.26 -5.10 135.00 135.17 2xaf s PRO 634 Ca 0.00 0.09 -0.23 0.00 0.05 0.00 0.00 61.00 60.91 2xaf s PRO 634 Cb -0.15 -2.23 -0.08 0.00 0.05 0.00 0.00 34.50 32.09 2xaf s PRO 634 CO -0.09 -0.75 1.15 -2.30 0.05 0.00 0.00 177.00 175.06 2xaf n PRO 635 N -2.66 1.54 0.00 0.56 -0.02 -1.13 -4.94 135.00 128.35 2xaf n PRO 635 Ca 0.05 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2xaf n PRO 635 Cb 0.57 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 2xaf n PRO 635 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xaf n ALA 636 N -0.70 0.93 -2.76 3.55 0.00 -1.26 -4.85 120.51 115.42 2xaf n ALA 636 Ca 0.09 -0.61 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 2xaf n ALA 636 Cb 0.42 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2xaf n ALA 636 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xaf s VAL 637 N -2.56 4.63 -0.11 0.00 1.01 -1.26 -4.72 120.40 117.39 2xaf s VAL 637 Ca -0.22 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2xaf s VAL 637 Cb 0.07 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2xaf s VAL 637 CO 0.77 0.43 -0.19 -1.58 0.00 0.00 0.00 175.10 174.53 2xaf s GLN 638 N -1.48 3.20 -0.13 2.72 0.74 -0.79 -4.98 119.66 118.93 2xaf s GLN 638 Ca 0.20 -0.79 -0.08 0.00 0.05 0.00 0.00 55.36 54.73 2xaf s GLN 638 Cb -0.12 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 2xaf s GLN 638 CO 0.10 0.20 0.16 -0.06 -0.55 0.00 0.00 175.29 175.13 2xaf s PHE 639 N 0.34 3.56 -0.29 1.67 0.08 -1.26 -0.11 117.98 121.97 2xaf s PHE 639 Ca -0.15 0.51 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 2xaf s PHE 639 Cb -0.17 -2.02 0.09 0.00 -0.57 0.00 0.00 43.02 40.35 2xaf s PHE 639 CO 0.08 0.62 0.10 0.08 -0.10 0.00 0.00 175.22 175.99 2xaf s VAL 640 N -0.67 0.56 0.76 -0.44 1.01 0.18 -2.23 120.40 119.57 2xaf s VAL 640 Ca 0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 2xaf s VAL 640 Cb -0.12 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.92 2xaf s VAL 640 CO 0.03 -0.63 1.14 -2.16 0.00 0.00 0.00 175.10 173.48 2xaf s PRO 641 N 1.79 2.43 0.90 2.72 0.04 -1.26 -1.41 135.00 140.20 2xaf s PRO 641 Ca 0.08 0.30 -0.10 0.00 0.04 0.00 0.00 61.00 61.32 2xaf s PRO 641 Cb -0.17 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.52 2xaf s PRO 641 CO -0.26 -1.31 1.15 -2.14 0.04 0.00 0.00 177.00 174.48 2xaf s PRO 642 N -5.46 1.11 0.27 0.56 0.02 -0.95 -4.88 135.00 125.67 2xaf s PRO 642 Ca 0.60 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 2xaf s PRO 642 Cb -0.11 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 2xaf s PRO 642 CO 0.51 -2.57 1.40 -0.51 -0.33 0.00 0.00 177.00 175.50 2xaf s LEU 643 N -6.49 4.40 0.57 -5.54 1.43 -1.26 -4.95 118.68 106.84 2xaf s LEU 643 Ca 0.67 2.66 -0.19 0.00 -1.03 0.00 0.00 54.13 56.25 2xaf s LEU 643 Cb -0.23 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 2xaf s LEU 643 CO 0.57 -0.66 0.77 -0.81 0.23 0.00 0.00 176.35 176.45 2xaf n PRO 644 N 1.96 0.75 -0.34 1.29 -0.04 -1.26 -4.68 135.00 132.67 2xaf n PRO 644 Ca 0.05 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 2xaf n PRO 644 Cb 0.41 -1.94 0.27 0.00 -0.04 0.00 0.00 33.50 32.19 2xaf n PRO 644 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2xaf h GLU 645 N 0.46 0.91 0.00 0.54 4.57 -2.00 0.17 114.58 119.23 2xaf h GLU 645 Ca -0.47 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2xaf h GLU 645 Cb 1.38 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2xaf h GLU 645 CO 0.50 0.61 -0.03 0.11 -1.18 0.00 0.00 179.01 179.01 2xaf h TRP 646 N 0.94 0.00 0.15 0.92 5.08 -2.00 -1.81 115.95 119.23 2xaf h TRP 646 Ca 0.49 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 60.12 2xaf h TRP 646 Cb 0.52 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.68 2xaf h TRP 646 CO -0.00 0.03 -1.67 -0.22 -1.28 0.00 0.00 178.44 175.30 2xaf h LYS 647 N 0.00 0.31 -0.19 0.12 1.63 -1.02 -3.30 116.57 114.13 2xaf h LYS 647 Ca -0.00 -0.54 -0.06 0.00 -0.85 0.00 0.00 60.65 59.20 2xaf h LYS 647 Cb 0.09 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2xaf h LYS 647 CO 0.00 1.20 -0.13 1.79 -3.45 0.00 0.00 179.45 178.87 2xaf h THR 648 N 0.09 1.32 -1.01 1.00 1.35 -1.16 -1.69 112.91 112.79 2xaf h THR 648 Ca -0.30 -1.23 0.25 0.00 -0.55 0.00 0.00 66.41 64.58 2xaf h THR 648 Cb 2.06 1.71 -0.12 0.00 -1.73 0.00 0.00 68.15 70.07 2xaf h THR 648 CO 0.16 0.37 0.61 0.28 -0.25 0.00 0.00 175.52 176.69 2xaf h SER 649 N 0.10 0.64 0.64 5.36 0.02 -1.50 0.50 113.55 119.31 2xaf h SER 649 Ca 0.04 0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2xaf h SER 649 Cb 0.63 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2xaf h SER 649 CO 0.03 0.11 -0.70 0.00 -1.14 0.00 0.00 176.83 175.13 2xaf h ALA 650 N 1.71 0.82 -0.24 3.77 0.00 -1.52 0.50 119.26 124.31 2xaf h ALA 650 Ca 0.63 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2xaf h ALA 650 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2xaf h ALA 650 CO -0.44 0.85 -0.52 0.28 0.00 0.00 0.00 179.25 179.42 2xaf h VAL 651 N 0.03 1.30 -0.11 0.00 2.07 0.80 -2.78 116.25 117.57 2xaf h VAL 651 Ca -0.01 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 65.68 2xaf h VAL 651 Cb 1.24 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2xaf h VAL 651 CO 0.09 0.55 -0.28 1.56 0.02 0.00 0.00 177.57 179.51 2xaf h GLN 652 N 0.53 0.38 -0.69 1.57 7.50 -0.77 -3.32 115.11 120.30 2xaf h GLN 652 Ca 0.02 -0.27 -0.01 0.00 0.50 0.00 0.00 58.65 58.89 2xaf h GLN 652 Cb 1.08 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.62 2xaf h GLN 652 CO 0.11 0.88 0.39 0.00 -1.50 0.00 0.00 178.83 178.71 2xaf h ARG 653 N -0.05 0.94 -7.32 1.46 3.08 -0.91 -3.44 114.38 108.15 2xaf h ARG 653 Ca -0.00 -0.09 -0.51 0.00 0.07 0.00 0.00 59.98 59.44 2xaf h ARG 653 Cb 0.90 -0.19 0.13 0.00 0.08 0.00 0.00 29.97 30.88 2xaf h ARG 653 CO 0.06 0.68 0.33 -1.64 -1.07 0.00 0.00 179.97 178.33 2xaf s MET 654 N -5.66 2.35 -0.16 0.04 -1.94 -1.05 -4.48 119.30 108.40 2xaf s MET 654 Ca -0.11 1.14 -0.04 0.00 -1.71 0.00 0.00 55.69 54.97 2xaf s MET 654 Cb 0.17 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.07 2xaf s MET 654 CO 0.79 -1.57 -0.02 0.20 -0.01 0.00 0.00 175.02 174.41 2xaf s GLY 655 N -3.45 1.76 -0.28 -0.03 0.00 -1.10 -4.89 107.32 99.33 2xaf s GLY 655 Ca 0.61 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2xaf s GLY 655 CO 0.56 -0.04 -0.05 -0.12 0.00 0.00 0.00 173.10 173.45 2xaf s PHE 656 N 0.36 3.30 0.00 1.90 5.36 -1.26 -0.49 117.98 127.15 2xaf s PHE 656 Ca -0.03 -2.18 0.00 0.00 -0.96 0.00 0.00 56.93 53.76 2xaf s PHE 656 Cb -0.14 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2xaf s PHE 656 CO 0.02 -0.86 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 2xaf n GLY 657 N 4.50 0.53 3.30 13.12 0.00 -0.54 -4.89 105.19 121.21 2xaf n GLY 657 Ca -0.12 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2xaf n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xaf s ASN 658 N -1.00 -0.32 -0.22 1.61 3.84 -0.70 -0.90 114.94 117.25 2xaf s ASN 658 Ca 0.00 0.38 -0.27 0.00 0.21 0.00 0.00 52.86 53.18 2xaf s ASN 658 Cb 0.00 0.49 0.09 0.00 -0.55 0.00 0.00 41.25 41.28 2xaf s ASN 658 CO 0.00 -0.39 0.84 -1.48 -2.79 0.00 0.00 177.10 173.28 2xaf s LEU 659 N -0.90 -0.60 0.14 3.21 0.05 -1.26 -4.25 118.68 115.08 2xaf s LEU 659 Ca -0.10 1.01 0.10 0.00 0.05 0.00 0.00 54.13 55.19 2xaf s LEU 659 Cb -0.04 2.23 -0.04 0.00 -2.05 0.00 0.00 46.19 46.29 2xaf s LEU 659 CO 0.04 -0.30 -0.23 0.20 -0.55 0.00 0.00 176.35 175.51 2xaf s ASN 660 N -0.14 3.03 0.09 1.48 0.01 -0.49 -4.76 114.94 114.17 2xaf s ASN 660 Ca -0.01 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.42 2xaf s ASN 660 Cb -0.04 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 2xaf s ASN 660 CO 0.01 0.10 -0.06 -0.54 -1.51 0.00 0.00 177.10 175.09 2xaf s LYS 661 N -2.26 2.30 -0.13 -0.60 1.02 -1.26 -0.25 119.74 118.55 2xaf s LYS 661 Ca 0.14 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2xaf s LYS 661 Cb -0.09 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2xaf s LYS 661 CO 0.06 0.52 -0.16 0.08 -0.92 0.00 0.00 175.35 174.93 2xaf s VAL 662 N -1.23 1.67 -0.31 3.17 1.01 0.41 -2.14 120.40 122.98 2xaf s VAL 662 Ca 0.23 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2xaf s VAL 662 Cb -0.11 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2xaf s VAL 662 CO 0.15 0.48 0.15 -0.69 0.00 0.00 0.00 175.10 175.18 2xaf s VAL 663 N 1.16 4.56 -0.24 2.92 1.01 0.14 -0.18 120.40 129.76 2xaf s VAL 663 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2xaf s VAL 663 Cb -0.14 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2xaf s VAL 663 CO -0.06 0.06 -0.00 -0.76 0.00 0.00 0.00 175.10 174.34 2xaf s LEU 664 N 1.60 3.14 -0.23 3.92 1.43 0.70 -2.55 118.68 126.69 2xaf s LEU 664 Ca 0.04 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2xaf s LEU 664 Cb -0.17 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.29 2xaf s LEU 664 CO 0.06 -0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 2xaf s PHE 666 N 1.29 2.31 -0.75 0.00 0.08 -0.19 0.33 117.98 121.05 2xaf s PHE 666 Ca -0.00 -0.78 0.25 0.00 0.12 0.00 0.00 56.93 56.52 2xaf s PHE 666 Cb -0.16 -1.65 0.53 0.00 -0.57 0.00 0.00 43.02 41.17 2xaf s PHE 666 CO -0.06 0.32 1.47 -0.40 -0.10 0.00 0.00 175.22 176.44 2xaf n ASP 667 N -0.96 0.63 -3.71 1.36 5.75 -1.26 -4.54 116.55 113.82 2xaf n ASP 667 Ca -0.06 0.18 -0.11 0.00 -0.01 0.00 0.00 54.79 54.78 2xaf n ASP 667 Cb 0.67 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.60 2xaf n ASP 667 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xaf s ARG 668 N -3.11 0.41 0.05 0.11 1.70 -1.26 -5.00 118.95 111.85 2xaf s ARG 668 Ca 0.08 0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 55.73 2xaf s ARG 668 Cb 0.14 0.06 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 2xaf s ARG 668 CO 0.68 -0.12 1.91 0.08 -1.08 0.00 0.00 175.30 176.77 2xaf s VAL 669 N 0.96 2.93 -0.01 4.99 1.01 -1.26 -4.85 120.40 124.17 2xaf s VAL 669 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2xaf s VAL 669 Cb -0.06 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2xaf s VAL 669 CO -0.08 -0.01 0.74 2.22 0.00 0.00 0.00 175.10 177.98 2xaf n PHE 670 N 7.01 0.00 -3.81 5.22 1.16 -1.26 -5.06 117.46 120.72 2xaf n PHE 670 Ca 0.19 -0.23 -0.25 0.00 -1.87 0.00 0.00 57.45 55.29 2xaf n PHE 670 Cb 0.40 -0.03 -0.00 0.00 -1.61 0.00 0.00 39.48 38.24 2xaf n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2xaf s TRP 671 N -0.49 1.69 -0.44 2.97 -2.14 -1.26 -5.03 118.94 114.24 2xaf s TRP 671 Ca 0.01 -0.81 -0.29 0.00 2.66 0.00 0.00 56.10 57.68 2xaf s TRP 671 Cb 0.01 -1.95 0.01 0.00 -3.10 0.00 0.00 33.47 28.44 2xaf s TRP 671 CO 0.00 -0.49 1.44 0.34 -2.66 0.00 0.00 176.95 175.58 2xaf s ASP 672 N -4.29 6.25 0.61 -2.66 -1.08 -1.26 -4.87 116.67 109.37 2xaf s ASP 672 Ca 0.37 0.76 0.28 0.00 -0.52 0.00 0.00 52.55 53.44 2xaf s ASP 672 Cb -0.02 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.37 2xaf s ASP 672 CO 0.23 -1.51 1.87 -0.65 0.52 0.00 0.00 175.17 175.63 2xaf h PRO 673 N 10.98 0.00 -0.58 4.34 0.11 -1.97 0.11 132.00 144.99 2xaf h PRO 673 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2xaf h PRO 673 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2xaf h PRO 673 CO 1.10 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.76 2xaf n SER 674 N -3.47 3.28 -4.21 -2.05 3.41 -1.26 -4.81 113.62 104.50 2xaf n SER 674 Ca 0.06 -2.14 -0.35 0.00 -0.26 0.00 0.00 58.87 56.18 2xaf n SER 674 Cb 0.62 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 2xaf n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2xaf s VAL 675 N -1.48 2.94 0.08 -3.33 1.01 0.39 -4.99 120.40 115.02 2xaf s VAL 675 Ca 0.38 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2xaf s VAL 675 Cb 0.22 -2.49 -0.20 0.00 0.00 0.00 0.00 36.38 33.91 2xaf s VAL 675 CO 0.22 0.20 1.24 0.78 0.00 0.00 0.00 175.10 177.54 2xaf h ASN 676 N 8.03 0.90 -3.56 3.32 -0.26 -1.83 -3.41 115.58 118.76 2xaf h ASN 676 Ca -0.33 -0.68 -0.27 0.00 -0.56 0.00 0.00 56.30 54.46 2xaf h ASN 676 Cb 1.11 -0.27 -0.32 0.00 -1.06 0.00 0.00 38.32 37.78 2xaf h ASN 676 CO 0.58 1.45 -0.69 -1.48 -1.06 0.00 0.00 177.43 176.23 2xaf s LEU 677 N -8.29 1.19 0.03 1.61 2.34 -1.26 0.33 118.68 114.62 2xaf s LEU 677 Ca -0.10 0.11 0.02 0.00 0.06 0.00 0.00 54.13 54.22 2xaf s LEU 677 Cb 0.07 0.08 -0.02 0.00 -0.56 0.00 0.00 46.19 45.76 2xaf s LEU 677 CO 0.90 -0.10 -0.07 0.72 -1.06 0.00 0.00 176.35 176.74 2xaf s PHE 678 N 0.83 0.64 0.33 3.48 -0.71 -0.94 -4.15 117.98 117.46 2xaf s PHE 678 Ca -0.07 -0.43 0.07 0.00 -1.04 0.00 0.00 56.93 55.47 2xaf s PHE 678 Cb -0.09 -0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2xaf s PHE 678 CO -0.03 -0.07 0.28 0.20 -1.34 0.00 0.00 175.22 174.27 2xaf s GLY 679 N -1.33 1.75 -0.00 1.99 0.00 -0.37 -0.61 107.32 108.76 2xaf s GLY 679 Ca -0.08 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.06 2xaf s GLY 679 CO 0.00 -1.57 -0.17 -1.58 0.00 0.00 0.00 173.10 169.78 2xaf s HIS 680 N -2.29 1.55 -0.52 1.90 5.04 -0.62 -2.92 115.29 117.43 2xaf s HIS 680 Ca 0.40 -0.31 -0.10 0.00 -1.54 0.00 0.00 55.06 53.52 2xaf s HIS 680 Cb -0.06 -0.98 0.13 0.00 0.04 0.00 0.00 32.58 31.71 2xaf s HIS 680 CO 0.26 -0.00 0.41 0.08 -2.34 0.00 0.00 174.74 173.15 2xaf s VAL 681 N -0.50 4.42 0.98 0.89 1.01 -0.95 -4.60 120.40 121.65 2xaf s VAL 681 Ca 0.06 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 2xaf s VAL 681 Cb -0.07 -3.88 0.17 0.00 0.00 0.00 0.00 36.38 32.60 2xaf s VAL 681 CO -0.00 -0.82 1.05 0.61 0.00 0.00 0.00 175.10 175.94 2xaf n GLY 682 N 4.75 -0.86 0.15 4.51 0.00 -1.26 -2.66 105.19 109.82 2xaf n GLY 682 Ca -0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 2xaf n GLY 682 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2xaf h SER 683 N -2.05 0.22 -3.17 1.61 0.02 -1.96 -3.46 113.55 104.77 2xaf h SER 683 Ca -0.47 -0.15 -0.47 0.00 -0.84 0.00 0.00 61.79 59.86 2xaf h SER 683 Cb 1.28 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 2xaf h SER 683 CO 0.42 0.85 -0.74 -0.89 -1.14 0.00 0.00 176.83 175.33 2xaf s THR 684 N -3.53 1.81 0.18 -2.27 2.01 -1.26 -4.99 115.64 107.59 2xaf s THR 684 Ca -0.03 -2.18 -0.18 0.00 0.31 0.00 0.00 61.69 59.61 2xaf s THR 684 Cb 0.11 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.72 2xaf s THR 684 CO 0.80 -0.54 1.63 0.74 -0.69 0.00 0.00 174.62 176.57 2xaf h THR 685 N 2.64 0.42 -0.85 -0.82 2.02 -1.94 -2.61 112.91 111.77 2xaf h THR 685 Ca -0.39 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.00 2xaf h THR 685 Cb 1.22 0.42 -0.13 0.00 -1.74 0.00 0.00 68.15 67.92 2xaf h THR 685 CO 0.60 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.77 2xaf h ALA 686 N 1.27 1.24 -0.63 6.16 0.00 -1.99 -0.16 119.26 125.15 2xaf h ALA 686 Ca 0.22 0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.99 2xaf h ALA 686 Cb 0.42 0.24 -0.19 0.00 0.00 0.00 0.00 17.79 18.25 2xaf h ALA 686 CO -0.52 -0.39 0.22 -1.13 0.00 0.00 0.00 179.25 177.44 2xaf n SER 687 N -5.14 3.02 0.19 0.00 3.41 -1.04 -4.60 113.62 109.45 2xaf n SER 687 Ca 0.20 -3.72 0.05 0.00 -0.26 0.00 0.00 58.87 55.13 2xaf n SER 687 Cb 0.61 -0.72 0.50 0.00 -0.26 0.00 0.00 64.21 64.34 2xaf n SER 687 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2xaf h ARG 688 N 1.01 0.10 0.00 4.33 0.11 -0.66 -2.70 114.38 116.57 2xaf h ARG 688 Ca 0.40 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.46 2xaf h ARG 688 Cb 2.16 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 33.22 2xaf h ARG 688 CO 0.70 0.21 -0.66 0.78 0.10 0.00 0.00 179.97 181.09 2xaf h GLY 689 N 0.49 0.00 -6.96 0.08 0.00 -1.83 -3.42 103.07 91.42 2xaf h GLY 689 Ca 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.76 2xaf h GLY 689 CO 0.01 0.00 1.49 1.85 0.00 0.00 0.00 176.54 179.89 2xaf s GLU 690 N -3.30 3.13 -1.56 4.80 2.12 -1.02 -2.24 118.70 120.63 2xaf s GLU 690 Ca 0.02 2.01 -0.09 0.00 0.36 0.00 0.00 54.97 57.27 2xaf s GLU 690 Cb 0.08 -4.37 0.07 0.00 0.26 0.00 0.00 34.13 30.17 2xaf s GLU 690 CO 0.75 -2.10 0.54 1.28 -0.54 0.00 0.00 175.26 175.18 2xaf n LEU 691 N 11.66 -1.84 -0.23 2.70 4.77 -1.12 -4.84 117.00 128.10 2xaf n LEU 691 Ca 0.30 -1.04 0.15 0.00 -0.03 0.00 0.00 56.01 55.38 2xaf n LEU 691 Cb 0.45 -2.09 0.70 0.00 -2.33 0.00 0.00 43.42 40.15 2xaf n LEU 691 CO 0.66 0.37 0.96 2.22 -1.33 0.00 0.00 177.39 180.27 2xaf n PHE 692 N -4.41 0.00 -3.58 -1.77 -1.74 -1.16 -4.59 117.46 100.21 2xaf n PHE 692 Ca -0.14 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.63 2xaf n PHE 692 Cb 0.60 -0.03 -0.06 0.00 1.52 0.00 0.00 39.48 41.51 2xaf n PHE 692 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2xaf s LEU 693 N -2.09 -0.51 0.05 5.98 2.96 -1.26 -1.59 118.68 122.21 2xaf s LEU 693 Ca 0.40 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2xaf s LEU 693 Cb 0.21 2.12 -0.02 0.00 0.50 0.00 0.00 46.19 49.00 2xaf s LEU 693 CO 0.38 -0.37 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.55 2xaf s PHE 694 N -0.74 1.09 -0.13 5.38 0.40 0.22 -1.58 117.98 122.62 2xaf s PHE 694 Ca -0.03 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2xaf s PHE 694 Cb -0.02 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.90 2xaf s PHE 694 CO 0.03 0.02 -0.16 -1.58 0.70 0.00 0.00 175.22 174.23 2xaf s TRP 695 N -1.04 2.16 -0.46 0.36 0.52 0.26 -2.21 118.94 118.52 2xaf s TRP 695 Ca -0.02 -1.10 -0.18 0.00 0.02 0.00 0.00 56.10 54.82 2xaf s TRP 695 Cb -0.09 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2xaf s TRP 695 CO 0.01 -0.57 0.54 1.21 0.02 0.00 0.00 176.95 178.17 2xaf s ASN 696 N 1.13 6.22 0.00 2.95 2.47 0.15 0.69 114.94 128.55 2xaf s ASN 696 Ca -0.03 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.48 2xaf s ASN 696 Cb -0.14 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2xaf s ASN 696 CO -0.05 -0.74 0.00 0.18 -3.72 0.00 0.00 177.10 172.77 2xaf n LEU 697 N 5.89 0.00 -4.83 3.21 4.77 -1.26 -4.41 117.00 120.37 2xaf n LEU 697 Ca -0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 2xaf n LEU 697 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2xaf n LEU 697 CO 0.50 0.00 -0.05 -0.31 -1.33 0.00 0.00 177.39 176.20 2xaf s TYR 698 N -1.79 2.45 0.10 -1.77 1.51 -1.26 -4.87 117.35 111.72 2xaf s TYR 698 Ca 0.00 -0.60 -0.14 0.00 -1.01 0.00 0.00 57.07 55.32 2xaf s TYR 698 Cb 0.00 -2.04 -0.11 0.00 -0.11 0.00 0.00 41.96 39.70 2xaf s TYR 698 CO 0.00 -0.07 1.37 -0.22 -1.11 0.00 0.00 175.55 175.51 2xaf h LYS 699 N 1.13 0.74 -7.40 -0.62 3.64 -1.92 -3.45 116.57 108.69 2xaf h LYS 699 Ca -0.41 -0.48 -0.45 0.00 -1.27 0.00 0.00 60.65 58.04 2xaf h LYS 699 Cb 1.27 0.06 0.16 0.00 -0.41 0.00 0.00 32.23 33.31 2xaf h LYS 699 CO 0.62 1.10 0.20 0.00 -2.27 0.00 0.00 179.45 179.11 2xaf s ALA 700 N -4.08 1.03 -1.14 5.00 0.00 -1.26 -4.92 121.76 116.39 2xaf s ALA 700 Ca -0.12 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 2xaf s ALA 700 Cb 0.09 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 2xaf s ALA 700 CO 0.86 -2.87 1.96 -0.35 0.00 0.00 0.00 175.76 175.36 2xaf n PRO 701 N -4.20 2.19 -4.94 0.00 -0.04 -1.26 -4.93 135.00 121.82 2xaf n PRO 701 Ca 0.07 -2.46 -0.28 0.00 -0.04 0.00 0.00 63.50 60.78 2xaf n PRO 701 Cb 0.58 -3.32 -0.16 0.00 -0.04 0.00 0.00 33.50 30.56 2xaf n PRO 701 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2xaf s ILE 702 N 5.88 1.61 -0.07 0.52 1.01 -1.26 -1.02 121.20 127.86 2xaf s ILE 702 Ca 0.57 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2xaf s ILE 702 Cb 0.09 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2xaf s ILE 702 CO 0.07 0.46 -0.10 -0.76 0.00 0.00 0.00 174.94 174.60 2xaf s LEU 703 N 0.24 2.95 -0.20 2.97 1.43 0.43 -4.03 118.68 122.47 2xaf s LEU 703 Ca -0.10 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 2xaf s LEU 703 Cb -0.15 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2xaf s LEU 703 CO 0.05 0.32 -0.02 -0.76 0.23 0.00 0.00 176.35 176.17 2xaf s LEU 704 N -0.56 3.15 -0.22 1.79 1.43 0.22 -0.21 118.68 124.27 2xaf s LEU 704 Ca 0.08 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2xaf s LEU 704 Cb -0.12 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2xaf s LEU 704 CO 0.02 0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.61 2xaf s ALA 705 N 1.00 2.79 0.28 4.21 0.00 0.74 0.91 121.76 131.69 2xaf s ALA 705 Ca 0.01 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 2xaf s ALA 705 Cb -0.14 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 2xaf s ALA 705 CO 0.01 -0.46 1.04 -0.51 0.00 0.00 0.00 175.76 175.85 2xaf s LEU 706 N 1.46 4.52 -0.23 0.00 1.02 -0.62 -0.44 118.68 124.40 2xaf s LEU 706 Ca 0.05 2.13 0.02 0.00 0.02 0.00 0.00 54.13 56.36 2xaf s LEU 706 Cb -0.14 -3.70 0.04 0.00 0.02 0.00 0.00 46.19 42.41 2xaf s LEU 706 CO -0.04 -0.09 -0.14 -0.69 0.02 0.00 0.00 176.35 175.41 2xaf s VAL 707 N -1.25 2.07 0.11 -1.59 1.01 0.66 -2.80 120.40 118.61 2xaf s VAL 707 Ca 0.45 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2xaf s VAL 707 Cb -0.28 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2xaf s VAL 707 CO 0.36 0.18 0.03 0.00 0.00 0.00 0.00 175.10 175.67 2xaf n ALA 708 N 4.52 0.13 -0.65 5.51 0.00 -0.95 -1.39 120.51 127.69 2xaf n ALA 708 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2xaf n ALA 708 Cb 0.45 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.23 2xaf n ALA 708 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xaf n GLY 709 N 2.05 0.96 0.36 0.00 0.00 -1.26 -2.57 105.19 104.73 2xaf n GLY 709 Ca -0.02 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.53 2xaf n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xaf h GLU 710 N 0.00 0.65 -0.74 1.61 4.39 -1.89 -2.52 114.58 116.08 2xaf h GLU 710 Ca 0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2xaf h GLU 710 Cb 0.00 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 2xaf h GLU 710 CO 0.00 0.43 0.39 0.00 -1.16 0.00 0.00 179.01 178.67 2xaf h ALA 711 N 1.65 1.03 -0.52 3.43 0.00 -1.78 -3.23 119.26 119.84 2xaf h ALA 711 Ca 0.58 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.63 2xaf h ALA 711 Cb 1.03 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2xaf h ALA 711 CO -0.36 0.00 0.05 0.00 0.00 0.00 0.00 179.25 178.94 2xaf h ALA 712 N 1.43 0.55 -0.35 0.00 0.00 -1.17 0.64 119.26 120.36 2xaf h ALA 712 Ca 0.36 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2xaf h ALA 712 Cb 0.35 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2xaf h ALA 712 CO -0.25 -0.35 0.16 0.78 0.00 0.00 0.00 179.25 179.58 2xaf h GLY 713 N 0.18 0.46 1.71 0.00 0.00 -1.73 -3.11 103.07 100.58 2xaf h GLY 713 Ca 0.27 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 2xaf h GLY 713 CO -0.39 0.07 -0.51 -2.22 0.00 0.00 0.00 176.54 173.49 2xaf h ILE 714 N 0.33 1.34 0.00 2.60 2.04 -1.34 -3.12 117.51 119.36 2xaf h ILE 714 Ca 0.15 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 2xaf h ILE 714 Cb 0.09 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2xaf h ILE 714 CO -0.12 0.53 -0.16 0.24 0.00 0.00 0.00 178.15 178.63 2xaf h MET 715 N 0.25 0.00 0.00 2.37 2.86 -0.86 -2.70 114.93 116.85 2xaf h MET 715 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2xaf h MET 715 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2xaf h MET 715 CO 0.08 0.16 0.00 0.93 1.06 0.00 0.00 176.91 179.15 2xaf h GLU 716 N 0.00 0.00 -0.75 1.72 5.08 -1.50 -1.64 114.58 117.49 2xaf h GLU 716 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2xaf h GLU 716 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2xaf h GLU 716 CO 0.02 0.00 0.01 0.09 -1.00 0.00 0.00 179.01 178.13 2xaf n ASN 717 N -3.00 3.96 -3.92 1.42 4.13 -1.02 -4.87 115.26 111.96 2xaf n ASN 717 Ca -0.02 -2.60 -0.18 0.00 1.68 0.00 0.00 54.58 53.47 2xaf n ASN 717 Cb 0.14 -0.62 -0.16 0.00 -1.54 0.00 0.00 39.78 37.61 2xaf n ASN 717 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2xaf s ILE 718 N -2.10 0.49 0.59 2.41 1.01 -0.62 -5.13 121.20 117.85 2xaf s ILE 718 Ca 0.34 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 2xaf s ILE 718 Cb 0.26 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 2xaf s ILE 718 CO 0.10 0.18 1.13 -1.54 0.00 0.00 0.00 174.94 174.81 2xaf n SER 719 N 3.56 1.51 -0.13 3.58 3.41 -1.26 -4.85 113.62 119.44 2xaf n SER 719 Ca -0.20 0.87 -0.05 0.00 -0.26 0.00 0.00 58.87 59.23 2xaf n SER 719 Cb 0.54 -1.46 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 2xaf n SER 719 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2xaf h ASP 720 N 0.79 -0.63 -0.03 4.04 5.19 -1.98 -2.90 116.42 120.89 2xaf h ASP 720 Ca -0.49 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2xaf h ASP 720 Cb 1.34 0.36 -0.03 0.00 0.18 0.00 0.00 39.33 41.18 2xaf h ASP 720 CO 0.53 -0.22 -0.28 0.44 -3.12 0.00 0.00 179.24 176.59 2xaf h ASP 721 N -0.09 -0.88 -0.82 6.45 3.32 -1.98 -0.17 116.42 122.23 2xaf h ASP 721 Ca 0.21 0.10 0.18 0.00 0.02 0.00 0.00 57.03 57.54 2xaf h ASP 721 Cb 0.42 0.34 -0.16 0.00 0.22 0.00 0.00 39.33 40.15 2xaf h ASP 721 CO -0.50 -0.26 -0.17 0.52 -1.72 0.00 0.00 179.24 177.11 2xaf n VAL 722 N -4.05 -0.34 0.15 -1.35 0.31 -1.11 0.78 118.33 112.71 2xaf n VAL 722 Ca -0.04 1.87 -0.14 0.00 -0.01 0.00 0.00 64.34 66.02 2xaf n VAL 722 Cb 0.20 -2.61 -0.08 0.00 -0.91 0.00 0.00 33.84 30.45 2xaf n VAL 722 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2xaf h ILE 723 N 0.00 0.78 -0.51 2.52 2.04 -1.08 -0.22 117.51 121.05 2xaf h ILE 723 Ca 0.41 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2xaf h ILE 723 Cb 0.67 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2xaf h ILE 723 CO -0.83 0.08 0.35 0.58 0.00 0.00 0.00 178.15 178.33 2xaf h VAL 724 N -0.57 0.89 0.00 1.67 2.07 0.69 -0.79 116.25 120.21 2xaf h VAL 724 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2xaf h VAL 724 Cb 0.41 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2xaf h VAL 724 CO 0.06 0.06 -0.01 1.23 0.02 0.00 0.00 177.57 178.93 2xaf h GLY 725 N 0.30 -1.15 0.29 2.17 0.00 0.12 -1.49 103.07 103.31 2xaf h GLY 725 Ca 0.23 0.50 0.19 0.00 0.00 0.00 0.00 47.33 48.25 2xaf h GLY 725 CO -0.05 -0.44 0.67 3.21 0.00 0.00 0.00 176.54 179.93 2xaf h ARG 726 N -0.01 0.00 0.26 4.80 3.08 -0.24 -0.82 114.38 121.45 2xaf h ARG 726 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2xaf h ARG 726 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2xaf h ARG 726 CO -0.00 0.00 -0.13 0.00 -1.07 0.00 0.00 179.97 178.77 2xaf h LEU 728 N -0.95 -0.64 -0.17 0.00 3.38 -0.46 -1.70 115.31 114.78 2xaf h LEU 728 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2xaf h LEU 728 Cb 0.49 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2xaf h LEU 728 CO 0.06 -0.35 -0.10 0.00 0.09 0.00 0.00 178.44 178.14 2xaf n ALA 729 N -2.50 -0.11 -0.14 1.53 0.00 -0.39 -0.31 120.51 118.58 2xaf n ALA 729 Ca -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2xaf n ALA 729 Cb 0.27 0.22 0.04 0.00 0.00 0.00 0.00 19.45 19.98 2xaf n ALA 729 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2xaf h ILE 730 N 0.00 0.63 -0.86 0.00 2.04 -1.25 -2.40 117.51 115.67 2xaf h ILE 730 Ca 0.03 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2xaf h ILE 730 Cb 0.07 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2xaf h ILE 730 CO -0.16 0.02 0.49 -0.07 0.00 0.00 0.00 178.15 178.43 2xaf h LEU 731 N 0.10 1.06 0.51 1.44 3.38 0.30 -2.11 115.31 119.98 2xaf h LEU 731 Ca 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2xaf h LEU 731 Cb 0.34 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2xaf h LEU 731 CO -0.40 0.83 -0.28 0.11 0.09 0.00 0.00 178.44 178.79 2xaf h LYS 732 N 1.20 -0.71 -1.24 1.13 1.57 -0.43 0.19 116.57 118.27 2xaf h LYS 732 Ca 0.31 0.05 0.45 0.00 -1.87 0.00 0.00 60.65 59.59 2xaf h LYS 732 Cb -0.01 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.31 2xaf h LYS 732 CO -0.05 -0.48 0.76 0.78 -0.57 0.00 0.00 179.45 179.89 2xaf h GLY 733 N -0.74 1.69 1.08 3.86 0.00 -1.07 0.54 103.07 108.43 2xaf h GLY 733 Ca -0.06 -0.12 -0.29 0.00 0.00 0.00 0.00 47.33 46.86 2xaf h GLY 733 CO 0.08 -0.58 -1.64 -2.22 0.00 0.00 0.00 176.54 172.17 2xaf h ILE 734 N 0.02 0.93 0.00 2.60 5.03 -1.00 -3.39 117.51 121.70 2xaf h ILE 734 Ca 0.86 -2.76 0.00 0.00 -0.12 0.00 0.00 64.86 62.84 2xaf h ILE 734 Cb 2.58 2.48 0.00 0.00 -3.03 0.00 0.00 36.82 38.85 2xaf h ILE 734 CO -0.57 0.57 0.00 0.49 -0.68 0.00 0.00 178.15 177.96 2xaf n PHE 735 N -3.11 0.00 0.00 1.37 3.72 0.02 -4.96 117.46 114.50 2xaf n PHE 735 Ca -0.16 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2xaf n PHE 735 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 2xaf n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xaf n GLY 736 N -0.09 1.04 0.23 1.37 0.00 0.17 -4.49 105.19 103.42 2xaf n GLY 736 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2xaf n GLY 736 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xaf n SER 737 N -0.09 0.08 -0.04 1.61 2.88 -1.25 -2.15 113.62 114.67 2xaf n SER 737 Ca 0.00 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 2xaf n SER 737 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2xaf n SER 737 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2xaf n SER 738 N -0.07 0.00 0.02 -3.46 3.41 -1.26 -4.78 113.62 107.48 2xaf n SER 738 Ca 0.00 -0.97 0.14 0.00 -0.26 0.00 0.00 58.87 57.77 2xaf n SER 738 Cb 0.02 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.51 2xaf n SER 738 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xaf n ALA 739 N 0.00 2.43 -3.63 7.33 0.00 -0.91 -4.83 120.51 120.90 2xaf n ALA 739 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 2xaf n ALA 739 Cb 0.49 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 2xaf n ALA 739 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xaf s VAL 740 N -3.02 3.90 1.11 0.00 1.01 -1.26 -4.85 120.40 117.29 2xaf s VAL 740 Ca 0.13 -1.97 -0.19 0.00 0.00 0.00 0.00 61.98 59.95 2xaf s VAL 740 Cb 0.17 -3.59 0.27 0.00 0.00 0.00 0.00 36.38 33.23 2xaf s VAL 740 CO 0.56 -0.76 1.09 -0.81 0.00 0.00 0.00 175.10 175.18 2xaf n PRO 741 N 4.68 -2.60 -2.23 2.72 -0.04 -1.26 -4.99 135.00 131.28 2xaf n PRO 741 Ca -0.04 -1.73 -0.41 0.00 -0.04 0.00 0.00 63.50 61.28 2xaf n PRO 741 Cb 0.41 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2xaf n PRO 741 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2xaf s GLN 742 N -5.45 4.44 0.13 0.54 -1.52 -1.26 -5.00 119.66 111.54 2xaf s GLN 742 Ca 0.68 2.08 -0.31 0.00 -1.95 0.00 0.00 55.36 55.86 2xaf s GLN 742 Cb -0.05 -3.12 -0.08 0.00 -0.22 0.00 0.00 33.01 29.53 2xaf s GLN 742 CO 0.51 -0.08 1.37 -1.25 -0.25 0.00 0.00 175.29 175.60 2xaf s PRO 743 N -1.48 4.33 0.15 2.91 0.04 -1.26 -4.81 135.00 134.88 2xaf s PRO 743 Ca 0.49 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 2xaf s PRO 743 Cb -0.37 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 2xaf s PRO 743 CO 0.48 -0.40 1.55 0.87 0.04 0.00 0.00 177.00 179.53 2xaf h LYS 744 N 6.52 0.93 -3.39 4.56 1.79 -0.48 -3.45 116.57 123.05 2xaf h LYS 744 Ca -0.43 -0.38 -0.27 0.00 -2.18 0.00 0.00 60.65 57.40 2xaf h LYS 744 Cb 1.21 -0.04 -0.33 0.00 -1.58 0.00 0.00 32.23 31.49 2xaf h LYS 744 CO 0.85 1.03 -0.67 -1.21 -1.08 0.00 0.00 179.45 178.37 2xaf s GLU 745 N -4.74 0.02 -0.05 3.15 0.41 -1.20 -5.06 118.70 111.24 2xaf s GLU 745 Ca -0.12 0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 2xaf s GLU 745 Cb 0.12 -0.22 0.02 0.00 -1.78 0.00 0.00 34.13 32.27 2xaf s GLU 745 CO 0.85 -0.17 -0.02 0.95 -0.49 0.00 0.00 175.26 176.38 2xaf s THR 746 N 1.12 0.46 0.13 3.63 -4.23 -1.26 -2.14 115.64 113.34 2xaf s THR 746 Ca -0.09 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 2xaf s THR 746 Cb -0.12 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 2xaf s THR 746 CO -0.04 0.23 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.33 2xaf s VAL 747 N 1.30 2.42 -0.11 2.29 1.01 -1.06 -4.98 120.40 121.28 2xaf s VAL 747 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 2xaf s VAL 747 Cb -0.13 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2xaf s VAL 747 CO -0.02 0.10 0.04 -0.69 0.00 0.00 0.00 175.10 174.53 2xaf s VAL 748 N -1.08 0.15 0.55 2.92 1.01 -1.26 -0.68 120.40 122.01 2xaf s VAL 748 Ca 0.15 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2xaf s VAL 748 Cb -0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 2xaf s VAL 748 CO 0.07 0.03 1.17 -0.94 0.00 0.00 0.00 175.10 175.43 2xaf s SER 749 N 2.05 5.61 -0.42 3.32 1.04 -0.91 -5.00 113.70 119.39 2xaf s SER 749 Ca 0.03 2.29 0.04 0.00 0.48 0.00 0.00 55.95 58.80 2xaf s SER 749 Cb -0.14 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.56 2xaf s SER 749 CO -0.06 -1.30 0.37 -0.13 0.98 0.00 0.00 173.24 173.10 2xaf s ARG 750 N -3.19 0.91 0.10 4.02 0.52 -1.26 -4.58 118.95 115.47 2xaf s ARG 750 Ca 0.73 -2.01 -0.13 0.00 -0.52 0.00 0.00 55.73 53.79 2xaf s ARG 750 Cb -0.27 -1.29 -0.17 0.00 0.52 0.00 0.00 34.95 33.74 2xaf s ARG 750 CO 0.31 -1.38 1.29 -1.49 0.02 0.00 0.00 175.30 174.04 2xaf h TRP 751 N 5.58 1.07 -0.07 -0.53 4.06 -1.90 -0.51 115.95 123.66 2xaf h TRP 751 Ca 0.25 -0.49 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 2xaf h TRP 751 Cb 0.93 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.92 2xaf h TRP 751 CO 0.25 1.32 -0.03 -0.09 -3.56 0.00 0.00 178.44 176.33 2xaf h ARG 752 N 0.51 0.09 0.01 0.49 9.65 -1.83 -0.08 114.38 123.23 2xaf h ARG 752 Ca -0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2xaf h ARG 752 Cb 1.44 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 2xaf h ARG 752 CO 0.17 0.13 -0.00 0.00 2.80 0.00 0.00 179.97 183.07 2xaf h ALA 753 N 1.88 -0.01 -1.67 2.80 0.00 -1.82 -3.38 119.26 117.06 2xaf h ALA 753 Ca 0.02 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 54.02 2xaf h ALA 753 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2xaf h ALA 753 CO 0.00 -0.29 1.02 -3.47 0.00 0.00 0.00 179.25 176.52 2xaf n ASP 754 N -4.89 2.74 0.25 0.00 2.03 -0.23 -4.76 116.55 111.69 2xaf n ASP 754 Ca -0.08 0.98 0.17 0.00 0.52 0.00 0.00 54.79 56.38 2xaf n ASP 754 Cb 0.23 -1.23 0.89 0.00 -0.72 0.00 0.00 41.12 40.29 2xaf n ASP 754 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2xaf h PRO 755 N 8.39 0.00 -0.57 -0.67 0.13 -1.87 0.36 132.00 137.77 2xaf h PRO 755 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2xaf h PRO 755 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2xaf h PRO 755 CO 0.96 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.64 2xaf n TRP 756 N -2.72 1.33 0.09 1.56 5.03 -1.26 -4.53 117.44 116.94 2xaf n TRP 756 Ca -0.02 -0.64 0.00 0.00 3.03 0.00 0.00 57.50 59.88 2xaf n TRP 756 Cb 0.09 -0.24 0.00 0.00 -1.03 0.00 0.00 31.31 30.13 2xaf n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2xaf n ALA 757 N 0.84 3.00 -2.32 6.99 0.00 -0.90 -4.76 120.51 123.37 2xaf n ALA 757 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 2xaf n ALA 757 Cb 0.85 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 2xaf n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2xaf n ARG 758 N -3.19 -1.55 -0.29 0.00 5.12 0.12 -3.58 116.66 113.30 2xaf n ARG 758 Ca 0.00 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 2xaf n ARG 758 Cb 0.02 -5.53 0.00 0.00 -1.16 0.00 0.00 32.46 25.79 2xaf n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xaf n GLY 759 N -0.99 0.80 0.12 -0.13 0.00 -0.09 -4.67 105.19 100.24 2xaf n GLY 759 Ca -0.23 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 2xaf n GLY 759 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xaf n SER 760 N 3.00 1.94 -3.60 1.61 3.41 -0.07 -4.64 113.62 115.27 2xaf n SER 760 Ca 0.00 0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 2xaf n SER 760 Cb 0.00 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 2xaf n SER 760 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2xaf s TYR 761 N -2.60 -0.13 0.90 7.33 -0.85 -1.24 -4.98 117.35 115.78 2xaf s TYR 761 Ca -0.35 0.05 -0.13 0.00 -0.52 0.00 0.00 57.07 56.12 2xaf s TYR 761 Cb 0.11 0.53 0.13 0.00 0.38 0.00 0.00 41.96 43.11 2xaf s TYR 761 CO 0.47 -0.28 1.15 -1.54 -1.52 0.00 0.00 175.55 173.83 2xaf s SER 762 N -2.44 3.63 0.14 -0.18 1.04 -1.26 -1.46 113.70 113.17 2xaf s SER 762 Ca 0.10 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.20 2xaf s SER 762 Cb 0.00 -1.41 0.06 0.00 0.10 0.00 0.00 66.02 64.78 2xaf s SER 762 CO -0.05 -2.46 0.55 -0.72 0.98 0.00 0.00 173.24 171.54 2xaf s TYR 763 N -3.36 -0.46 -0.66 5.02 -0.85 0.36 -4.63 117.35 112.77 2xaf s TYR 763 Ca 0.64 0.26 -0.25 0.00 -0.52 0.00 0.00 57.07 57.20 2xaf s TYR 763 Cb -0.13 0.47 0.04 0.00 0.38 0.00 0.00 41.96 42.72 2xaf s TYR 763 CO 0.52 -0.79 1.11 0.08 -1.52 0.00 0.00 175.55 174.95 2xaf s VAL 764 N -3.60 4.08 0.63 -3.49 1.01 -1.26 -2.71 120.40 115.06 2xaf s VAL 764 Ca 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 2xaf s VAL 764 Cb -0.00 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 2xaf s VAL 764 CO -0.11 -1.52 1.05 0.00 0.00 0.00 0.00 175.10 174.52 2xaf s ALA 765 N 4.77 2.78 0.05 5.51 0.00 -1.26 -0.98 121.76 132.63 2xaf s ALA 765 Ca 0.31 0.20 -0.35 0.00 0.00 0.00 0.00 51.96 52.12 2xaf s ALA 765 Cb -0.11 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 2xaf s ALA 765 CO 0.16 -0.91 1.58 0.00 0.00 0.00 0.00 175.76 176.58 2xaf n ALA 766 N -2.52 0.42 -0.29 0.00 0.00 0.15 -1.11 120.51 117.17 2xaf n ALA 766 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2xaf n ALA 766 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2xaf n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xaf n GLY 767 N 3.41 0.88 1.74 0.00 0.00 -1.26 -4.85 105.19 105.11 2xaf n GLY 767 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2xaf n GLY 767 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xaf n SER 768 N 0.00 1.09 -2.14 1.61 2.88 -0.27 -5.00 113.62 111.80 2xaf n SER 768 Ca 0.00 -1.72 -0.07 0.00 -1.33 0.00 0.00 58.87 55.76 2xaf n SER 768 Cb 0.00 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2xaf n SER 768 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2xaf n SER 769 N -2.56 -1.19 0.22 -3.46 3.41 -1.26 -4.88 113.62 103.89 2xaf n SER 769 Ca 0.06 -2.04 0.09 0.00 -0.26 0.00 0.00 58.87 56.72 2xaf n SER 769 Cb 0.27 2.05 0.52 0.00 -0.26 0.00 0.00 64.21 66.78 2xaf n SER 769 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2xaf h GLY 770 N 1.21 0.00 2.00 5.00 0.00 -1.94 -2.82 103.07 106.51 2xaf h GLY 770 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 2xaf h GLY 770 CO 0.25 0.00 -0.38 -0.57 0.00 0.00 0.00 176.54 175.84 2xaf h ASN 771 N 0.00 0.00 0.06 0.19 -0.73 -1.97 -2.31 115.58 110.82 2xaf h ASN 771 Ca -0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2xaf h ASN 771 Cb 0.62 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.21 2xaf h ASN 771 CO 0.03 0.38 -0.05 0.44 -0.37 0.00 0.00 177.43 177.86 2xaf h ASP 772 N 0.00 0.00 -0.68 1.15 3.32 -1.89 -2.20 116.42 116.12 2xaf h ASP 772 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2xaf h ASP 772 Cb 0.79 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2xaf h ASP 772 CO 0.05 0.05 0.27 1.88 -1.72 0.00 0.00 179.24 179.77 2xaf h TYR 773 N 0.00 1.03 0.67 4.55 0.05 -1.56 -1.70 116.97 120.02 2xaf h TYR 773 Ca -0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 2xaf h TYR 773 Cb 0.10 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 2xaf h TYR 773 CO 0.00 0.80 -0.41 -0.44 -1.05 0.00 0.00 178.16 177.07 2xaf h ASP 774 N 0.96 -1.02 -0.78 3.88 3.32 -1.46 -1.97 116.42 119.34 2xaf h ASP 774 Ca 0.23 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.49 2xaf h ASP 774 Cb 0.21 0.30 -0.15 0.00 0.22 0.00 0.00 39.33 39.91 2xaf h ASP 774 CO -0.02 -0.63 -0.19 0.18 -1.72 0.00 0.00 179.24 176.86 2xaf n LEU 775 N -5.55 -0.27 -0.12 1.55 4.77 -1.02 0.09 117.00 116.45 2xaf n LEU 775 Ca -0.13 1.34 0.08 0.00 -0.03 0.00 0.00 56.01 57.27 2xaf n LEU 775 Cb 0.43 -0.41 0.42 0.00 -2.33 0.00 0.00 43.42 41.53 2xaf n LEU 775 CO 0.35 -1.29 1.20 0.24 -1.33 0.00 0.00 177.39 176.56 2xaf h MET 776 N 0.00 0.58 0.00 3.23 2.86 -0.55 -2.48 114.93 118.57 2xaf h MET 776 Ca 0.38 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2xaf h MET 776 Cb 0.59 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2xaf h MET 776 CO -0.80 0.38 -0.26 0.00 1.06 0.00 0.00 176.91 177.29 2xaf h ALA 777 N 1.66 0.85 -1.99 6.32 0.00 0.04 -3.44 119.26 122.70 2xaf h ALA 777 Ca 0.28 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.42 2xaf h ALA 777 Cb 0.33 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2xaf h ALA 777 CO -0.09 0.24 1.31 0.94 0.00 0.00 0.00 179.25 181.66 2xaf n GLN 778 N -3.12 2.18 -0.95 0.00 -0.06 -0.93 -4.34 117.38 110.16 2xaf n GLN 778 Ca 0.03 0.72 -0.29 0.00 -2.00 0.00 0.00 57.00 55.46 2xaf n GLN 778 Cb 0.61 -2.93 0.19 0.00 -4.06 0.00 0.00 30.24 24.05 2xaf n GLN 778 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2xaf s PRO 779 N 5.23 0.23 -0.15 3.69 0.04 -1.26 -4.86 135.00 137.92 2xaf s PRO 779 Ca 0.96 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2xaf s PRO 779 Cb -0.52 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2xaf s PRO 779 CO 0.43 -2.93 -0.06 0.42 0.04 0.00 0.00 177.00 174.90 2xaf s ILE 780 N -2.78 3.65 -0.25 0.56 -1.09 0.11 -4.98 121.20 116.43 2xaf s ILE 780 Ca 0.66 -0.44 -0.08 0.00 -2.23 0.00 0.00 60.65 58.56 2xaf s ILE 780 Cb -0.21 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2xaf s ILE 780 CO 0.60 0.50 0.08 -0.89 -1.23 0.00 0.00 174.94 173.99 2xaf s THR 781 N 0.44 4.42 1.06 2.92 2.01 -1.26 -0.84 115.64 124.38 2xaf s THR 781 Ca -0.05 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2xaf s THR 781 Cb -0.15 -3.07 0.23 0.00 0.01 0.00 0.00 72.50 69.52 2xaf s THR 781 CO 0.03 0.34 1.08 -2.16 -0.69 0.00 0.00 174.62 173.21 2xaf s PRO 782 N 1.58 -0.10 0.80 4.92 0.04 -1.26 -4.96 135.00 136.03 2xaf s PRO 782 Ca 0.06 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.08 2xaf s PRO 782 Cb -0.15 -1.63 0.20 0.00 0.04 0.00 0.00 34.50 32.96 2xaf s PRO 782 CO 0.04 -3.25 0.63 0.41 0.04 0.00 0.00 177.00 174.88 2xaf n GLY 783 N 0.49 -3.00 3.92 0.56 0.00 -1.26 -4.68 105.19 101.22 2xaf n GLY 783 Ca 0.07 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 2xaf n GLY 783 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xaf s PRO 784 N -4.46 3.56 0.00 1.61 0.04 -1.26 -4.25 135.00 130.24 2xaf s PRO 784 Ca 0.43 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2xaf s PRO 784 Cb -0.05 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2xaf s PRO 784 CO 0.34 0.17 0.00 0.43 0.04 0.00 0.00 177.00 177.98 2xaf n SER 785 N -1.33 0.00 -4.68 6.66 7.64 -1.26 -4.69 113.62 115.96 2xaf n SER 785 Ca -0.03 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.39 2xaf n SER 785 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 2xaf n SER 785 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2xaf n ILE 786 N 0.00 0.47 -2.17 0.44 -0.00 -1.26 -4.95 119.36 111.89 2xaf n ILE 786 Ca 0.00 -0.08 -0.34 0.00 -0.00 0.00 0.00 62.75 62.32 2xaf n ILE 786 Cb 0.00 -1.93 0.01 0.00 -0.00 0.00 0.00 39.64 37.72 2xaf n ILE 786 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 2xaf s PRO 787 N 3.33 3.28 -1.40 0.38 0.02 -1.26 -2.61 135.00 136.74 2xaf s PRO 787 Ca 0.88 1.52 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2xaf s PRO 787 Cb -0.61 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2xaf s PRO 787 CO 0.45 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2xaf n GLY 788 N -0.08 -0.01 3.96 0.52 0.00 -1.26 -5.04 105.19 103.28 2xaf n GLY 788 Ca 0.11 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2xaf n GLY 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaf s ALA 789 N -2.76 3.89 0.66 4.61 0.00 -1.07 -5.09 121.76 122.00 2xaf s ALA 789 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 2xaf s ALA 789 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2xaf s ALA 789 CO 0.00 0.10 1.26 -0.35 0.00 0.00 0.00 175.76 176.76 2xaf n PRO 790 N -1.58 1.01 -1.68 0.00 -0.04 -1.26 -4.94 135.00 126.50 2xaf n PRO 790 Ca -0.06 0.40 -0.49 0.00 -0.04 0.00 0.00 63.50 63.32 2xaf n PRO 790 Cb 0.57 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 2xaf n PRO 790 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2xaf n GLN 791 N -1.95 2.10 -2.36 0.54 -0.06 -1.26 -4.90 117.38 109.48 2xaf n GLN 791 Ca 0.16 0.77 -0.34 0.00 -2.00 0.00 0.00 57.00 55.58 2xaf n GLN 791 Cb 0.48 -2.59 -0.01 0.00 -4.06 0.00 0.00 30.24 24.06 2xaf n GLN 791 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2xaf s PRO 792 N 3.62 3.54 0.04 3.69 0.04 -1.26 -5.02 135.00 139.64 2xaf s PRO 792 Ca 0.91 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 2xaf s PRO 792 Cb -0.72 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 2xaf s PRO 792 CO 0.51 -0.67 0.02 -0.89 0.04 0.00 0.00 177.00 176.00 2xaf n ILE 793 N -1.21 0.09 -3.08 0.56 -0.00 -1.26 -4.88 119.36 109.58 2xaf n ILE 793 Ca 0.10 -0.06 -0.38 0.00 -0.00 0.00 0.00 62.75 62.42 2xaf n ILE 793 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.10 2xaf n ILE 793 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 2xaf s PRO 794 N -0.11 4.39 -0.07 0.38 0.02 -1.26 -4.44 135.00 133.91 2xaf s PRO 794 Ca 0.07 0.98 0.10 0.00 0.02 0.00 0.00 61.00 62.17 2xaf s PRO 794 Cb -0.08 -3.14 -0.15 0.00 0.02 0.00 0.00 34.50 31.15 2xaf s PRO 794 CO 0.07 0.53 0.12 0.54 -0.33 0.00 0.00 177.00 177.93 2xaf n ARG 795 N 1.36 1.55 -4.19 5.54 5.12 -0.02 -4.94 116.66 121.09 2xaf n ARG 795 Ca -0.06 -0.04 -0.33 0.00 -1.93 0.00 0.00 57.85 55.49 2xaf n ARG 795 Cb 0.50 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 30.37 2xaf n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2xaf s LEU 796 N -4.40 2.31 0.17 0.55 2.96 -0.97 -2.14 118.68 117.15 2xaf s LEU 796 Ca -0.05 -0.58 0.11 0.00 -0.22 0.00 0.00 54.13 53.40 2xaf s LEU 796 Cb 0.05 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 2xaf s LEU 796 CO 0.45 0.01 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.89 2xaf s PHE 797 N 1.22 2.34 -0.03 5.38 0.40 0.76 0.06 117.98 128.10 2xaf s PHE 797 Ca 0.03 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2xaf s PHE 797 Cb -0.14 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 2xaf s PHE 797 CO -0.08 0.44 -0.15 -0.06 0.70 0.00 0.00 175.22 176.06 2xaf s PHE 798 N -1.42 1.48 0.13 0.36 0.40 -1.26 0.11 117.98 117.77 2xaf s PHE 798 Ca 0.18 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2xaf s PHE 798 Cb -0.09 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2xaf s PHE 798 CO 0.09 -0.12 0.06 0.00 0.70 0.00 0.00 175.22 175.95 2xaf s ALA 799 N -0.02 0.81 0.00 5.36 0.00 -1.15 -4.75 121.76 122.02 2xaf s ALA 799 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2xaf s ALA 799 Cb -0.10 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2xaf s ALA 799 CO 0.01 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2xaf n GLY 800 N -0.09 4.12 0.00 0.00 0.00 -1.26 -4.25 105.19 103.71 2xaf n GLY 800 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2xaf n GLY 800 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xaf n GLU 801 N -1.14 0.00 0.00 1.61 0.00 -1.26 0.32 120.64 120.17 2xaf n GLU 801 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 2xaf n GLU 801 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 31.44 31.70 2xaf n GLU 801 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2xaf n HIS 802 N -3.25 0.00 0.85 4.31 1.44 -1.26 -3.49 115.22 113.82 2xaf n HIS 802 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 2xaf n HIS 802 Cb 0.00 -0.12 -0.04 0.00 0.12 0.00 0.00 29.99 29.95 2xaf n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2xaf n THR 803 N -1.12 0.00 -3.82 0.61 -2.24 0.97 -4.71 114.28 103.97 2xaf n THR 803 Ca 0.06 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 2xaf n THR 803 Cb 0.05 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 2xaf n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2xaf s ILE 804 N -2.35 3.17 0.37 2.28 2.07 -1.23 -4.27 121.20 121.23 2xaf s ILE 804 Ca 0.13 -2.62 0.20 0.00 -1.41 0.00 0.00 60.65 56.95 2xaf s ILE 804 Cb 0.15 -3.15 0.35 0.00 0.13 0.00 0.00 42.46 39.93 2xaf s ILE 804 CO 0.57 -0.76 1.57 -1.14 -1.91 0.00 0.00 174.94 173.28 2xaf n ARG 805 N 3.92 -0.06 -0.00 3.50 0.63 -1.26 -2.20 116.66 121.19 2xaf n ARG 805 Ca 0.03 1.38 0.10 0.00 -0.92 0.00 0.00 57.85 58.45 2xaf n ARG 805 Cb 0.39 -2.47 -0.13 0.00 0.45 0.00 0.00 32.46 30.70 2xaf n ARG 805 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2xaf n ASN 806 N -5.26 0.83 -2.66 6.15 3.02 -1.26 -4.43 115.26 111.64 2xaf n ASN 806 Ca 0.37 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 54.01 2xaf n ASN 806 Cb 1.26 1.17 0.03 0.00 -0.61 0.00 0.00 39.78 41.63 2xaf n ASN 806 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2xaf n TYR 807 N -1.63 1.22 -0.41 3.10 4.01 -0.93 -4.84 117.16 117.68 2xaf n TYR 807 Ca 0.03 -2.77 -0.30 0.00 -0.16 0.00 0.00 57.90 54.69 2xaf n TYR 807 Cb 0.37 -0.36 0.28 0.00 -0.31 0.00 0.00 39.34 39.32 2xaf n TYR 807 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2xaf s PRO 808 N -3.16 -2.61 -0.05 -0.72 0.02 -1.14 -3.95 135.00 123.40 2xaf s PRO 808 Ca 0.28 0.25 -0.01 0.00 0.02 0.00 0.00 61.00 61.53 2xaf s PRO 808 Cb 0.45 -1.40 0.00 0.00 0.02 0.00 0.00 34.50 33.57 2xaf s PRO 808 CO 0.03 -4.69 0.03 0.00 -0.33 0.00 0.00 177.00 172.03 2xaf n ALA 809 N -5.52 -1.06 -2.93 -1.55 0.00 -1.25 -4.86 120.51 103.34 2xaf n ALA 809 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2xaf n ALA 809 Cb 0.59 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 2xaf n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2xaf s THR 810 N -4.91 0.09 0.16 0.00 -4.23 -1.25 -4.97 115.64 100.53 2xaf s THR 810 Ca 0.02 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 59.59 2xaf s THR 810 Cb -0.01 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 72.88 2xaf s THR 810 CO 0.04 -0.42 1.68 0.58 -0.54 0.00 0.00 174.62 175.96 2xaf h VAL 811 N 3.10 0.67 -0.18 2.29 2.07 -1.92 -1.13 116.25 121.15 2xaf h VAL 811 Ca -0.32 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2xaf h VAL 811 Cb 1.20 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2xaf h VAL 811 CO 0.48 0.00 -0.07 1.12 0.02 0.00 0.00 177.57 179.12 2xaf h HIS 812 N 0.03 0.29 -0.43 1.57 -0.00 -1.96 -1.47 115.15 113.17 2xaf h HIS 812 Ca 0.17 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 2xaf h HIS 812 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2xaf h HIS 812 CO -0.30 0.36 -0.14 0.78 -0.00 0.00 0.00 177.93 178.62 2xaf h GLY 813 N 0.68 0.93 0.35 6.13 0.00 -1.53 -0.78 103.07 108.85 2xaf h GLY 813 Ca 0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 2xaf h GLY 813 CO 0.01 0.72 -0.17 0.00 0.00 0.00 0.00 176.54 177.11 2xaf h ALA 814 N 0.85 -1.01 -0.63 3.60 0.00 -0.28 -2.11 119.26 119.68 2xaf h ALA 814 Ca 0.10 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2xaf h ALA 814 Cb 0.69 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 2xaf h ALA 814 CO 0.05 -0.98 -0.24 -0.11 0.00 0.00 0.00 179.25 177.97 2xaf n LEU 815 N -3.40 -0.40 -0.28 0.00 -0.00 -0.65 0.11 117.00 112.39 2xaf n LEU 815 Ca -0.06 1.10 0.01 0.00 -0.00 0.00 0.00 56.01 57.06 2xaf n LEU 815 Cb 0.19 -0.25 0.14 0.00 -0.00 0.00 0.00 43.42 43.50 2xaf n LEU 815 CO 0.14 -0.99 1.14 -0.07 -0.00 0.00 0.00 177.39 177.61 2xaf h LEU 816 N 0.00 0.68 -0.11 -1.96 3.38 -0.97 -1.19 115.31 115.13 2xaf h LEU 816 Ca 0.22 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2xaf h LEU 816 Cb 0.38 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2xaf h LEU 816 CO -0.63 0.41 -0.07 0.77 0.09 0.00 0.00 178.44 179.01 2xaf h SER 817 N 0.80 0.25 -0.88 -0.43 4.64 0.15 -0.54 113.55 117.54 2xaf h SER 817 Ca 0.37 -0.44 0.17 0.00 -0.47 0.00 0.00 61.79 61.41 2xaf h SER 817 Cb 0.28 -0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.14 2xaf h SER 817 CO -0.22 0.64 -0.26 1.23 -0.87 0.00 0.00 176.83 177.35 2xaf h GLY 818 N -0.13 0.47 0.92 -0.77 0.00 -0.97 0.11 103.07 102.70 2xaf h GLY 818 Ca 0.02 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2xaf h GLY 818 CO 0.02 -0.30 -0.04 1.41 0.00 0.00 0.00 176.54 177.63 2xaf h LEU 819 N -0.02 -0.09 -0.45 3.11 3.38 -0.36 -2.14 115.31 118.75 2xaf h LEU 819 Ca 0.39 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.36 2xaf h LEU 819 Cb 0.63 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2xaf h LEU 819 CO -0.91 0.01 -0.48 -0.09 0.09 0.00 0.00 178.44 177.06 2xaf h ARG 820 N -0.19 -0.32 -0.59 1.13 2.43 -0.37 -1.44 114.38 115.02 2xaf h ARG 820 Ca -0.01 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2xaf h ARG 820 Cb 0.16 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2xaf h ARG 820 CO 0.02 -0.21 0.21 0.93 -1.51 0.00 0.00 179.97 179.41 2xaf h GLU 821 N -0.33 0.90 -0.29 0.20 4.39 -0.56 -1.91 114.58 116.97 2xaf h GLU 821 Ca 0.12 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.70 2xaf h GLU 821 Cb 0.59 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 2xaf h GLU 821 CO -0.61 0.79 -0.48 0.00 -1.16 0.00 0.00 179.01 177.55 2xaf h ALA 822 N 1.07 -0.63 -0.91 3.43 0.00 -0.89 0.33 119.26 121.66 2xaf h ALA 822 Ca 0.19 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.35 2xaf h ALA 822 Cb 0.24 0.94 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2xaf h ALA 822 CO -0.01 -0.96 0.07 0.78 0.00 0.00 0.00 179.25 179.12 2xaf h GLY 823 N -0.43 1.18 0.83 0.00 0.00 -0.77 0.11 103.07 104.00 2xaf h GLY 823 Ca 0.09 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 2xaf h GLY 823 CO -0.52 -0.43 -0.44 -0.09 0.00 0.00 0.00 176.54 175.06 2xaf h ARG 824 N 0.07 0.48 0.25 4.80 2.43 -0.23 -0.54 114.38 121.66 2xaf h ARG 824 Ca 0.55 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2xaf h ARG 824 Cb 1.09 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2xaf h ARG 824 CO -0.81 1.01 -0.12 0.82 -1.51 0.00 0.00 179.97 179.36 2xaf h ILE 825 N 0.07 0.77 -0.14 1.20 2.04 0.06 -1.89 117.51 119.63 2xaf h ILE 825 Ca -0.02 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2xaf h ILE 825 Cb 1.08 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2xaf h ILE 825 CO 0.09 0.03 -0.14 0.00 0.00 0.00 0.00 178.15 178.14 2xaf h ALA 826 N 0.32 -0.04 -0.56 1.87 0.00 -0.75 -0.29 119.26 119.82 2xaf h ALA 826 Ca -0.03 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2xaf h ALA 826 Cb 0.31 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 2xaf h ALA 826 CO 0.06 -0.58 -0.27 -0.44 0.00 0.00 0.00 179.25 178.02 2xaf h ASP 827 N -0.16 -0.93 -0.39 0.00 3.32 -1.04 0.30 116.42 117.52 2xaf h ASP 827 Ca 0.09 0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.42 2xaf h ASP 827 Cb 0.30 0.49 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 2xaf h ASP 827 CO -0.23 -0.27 -0.04 -0.61 -1.72 0.00 0.00 179.24 176.36 2xaf h GLN 828 N -0.13 0.06 0.00 3.56 5.75 -0.43 -0.23 115.11 123.69 2xaf h GLN 828 Ca 0.24 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2xaf h GLN 828 Cb 0.52 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 2xaf h GLN 828 CO -0.63 0.04 -1.94 1.19 -2.65 0.00 0.00 178.83 174.83 2xaf n PHE 829 N -5.24 0.00 0.67 3.99 3.72 -0.22 -4.26 117.46 116.12 2xaf n PHE 829 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 2xaf n PHE 829 Cb 0.21 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 2xaf n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2xaf n LEU 830 N -2.27 1.21 -0.52 4.37 4.77 0.04 -4.96 117.00 119.63 2xaf n LEU 830 Ca -0.09 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2xaf n LEU 830 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2xaf n LEU 830 CO 0.39 0.25 -0.16 0.61 -1.33 0.00 0.00 177.39 177.16 2xaf n GLY 831 N 1.19 -3.37 3.35 -0.72 0.00 -0.10 -4.84 105.19 100.71 2xaf n GLY 831 Ca 0.05 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.52 2xaf n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xaf s ALA 832 N -3.53 3.75 0.26 4.61 0.00 -1.23 -4.75 121.76 120.88 2xaf s ALA 832 Ca 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 51.96 49.12 2xaf s ALA 832 Cb 0.00 -3.55 0.35 0.00 0.00 0.00 0.00 23.12 19.92 2xaf s ALA 832 CO 0.00 -2.35 1.68 0.52 0.00 0.00 0.00 175.76 175.61 2xaf h MET 833 N 8.45 0.47 0.00 0.00 2.86 -1.96 -3.27 114.93 121.49 2xaf h MET 833 Ca -0.05 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2xaf h MET 833 Cb 1.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2xaf h MET 833 CO 0.93 0.74 0.00 2.48 1.06 0.00 0.00 176.91 182.13 2xaf n TYR 834 N -4.08 0.00 1.25 -0.22 4.11 -1.26 -2.87 117.16 114.09 2xaf n TYR 834 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.02 2xaf n TYR 834 Cb 0.45 0.00 0.36 0.00 -0.00 0.00 0.00 39.34 40.15 2xaf n TYR 834 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2xaf n THR 835 N -0.94 0.00 0.88 -3.48 -2.24 -1.23 -4.85 114.28 102.41 2xaf n THR 835 Ca 0.07 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2xaf n THR 835 Cb 0.03 0.51 0.09 0.00 -2.10 0.00 0.00 70.33 68.86 2xaf n THR 835 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68