#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djh s LYS 159 N 0.00 0.71 0.31 3.52 1.02 -1.26 -4.48 119.74 119.56 1djh s LYS 159 Ca 0.00 0.89 -0.02 0.00 0.02 0.00 0.00 55.97 56.86 1djh s LYS 159 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1djh s LYS 159 CO 0.00 -0.09 0.54 1.41 -0.92 0.00 0.00 175.35 176.28 1djh s MET 160 N 0.47 3.55 0.29 1.68 1.75 -0.91 -4.77 119.30 121.36 1djh s MET 160 Ca -0.01 -0.19 0.05 0.00 -1.25 0.00 0.00 55.69 54.30 1djh s MET 160 Cb -0.05 -2.67 -0.06 0.00 2.84 0.00 0.00 34.83 34.90 1djh s MET 160 CO -0.01 0.20 -0.02 0.54 -0.65 0.00 0.00 175.02 175.08 1djh s ASN 161 N -3.58 2.51 0.33 1.11 2.20 -1.26 0.13 114.94 116.39 1djh s ASN 161 Ca 0.41 -1.25 0.11 0.00 -0.94 0.00 0.00 52.86 51.20 1djh s ASN 161 Cb -0.10 -0.12 1.01 0.00 -2.00 0.00 0.00 41.25 40.04 1djh s ASN 161 CO 0.33 -0.45 1.62 0.15 -2.94 0.00 0.00 177.10 175.81 1djh h PHE 162 N 2.26 0.57 0.00 1.54 3.57 -1.98 0.89 116.94 123.78 1djh h PHE 162 Ca -0.40 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1djh h PHE 162 Cb 1.23 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1djh h PHE 162 CO 0.63 -0.33 0.00 1.63 -2.23 0.00 0.00 178.31 178.01 1djh n LYS 163 N -5.25 0.00 -0.26 1.11 5.02 -1.26 0.14 118.16 117.66 1djh n LYS 163 Ca 0.30 0.59 0.28 0.00 -2.02 0.00 0.00 58.31 57.47 1djh n LYS 163 Cb 0.96 -1.36 0.66 0.00 -0.02 0.00 0.00 35.03 35.27 1djh n LYS 163 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1djh h GLU 164 N 0.00 0.13 0.00 1.97 5.08 -1.75 0.27 114.58 120.27 1djh h GLU 164 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1djh h GLU 164 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1djh h GLU 164 CO 0.00 0.08 0.00 -0.11 -1.00 0.00 0.00 179.01 177.98 1djh n LEU 165 N -4.34 0.05 -0.52 1.33 7.94 0.23 0.13 117.00 121.82 1djh n LEU 165 Ca 0.22 0.86 0.44 0.00 -1.11 0.00 0.00 56.01 56.42 1djh n LEU 165 Cb 1.01 -0.45 0.77 0.00 0.53 0.00 0.00 43.42 45.28 1djh n LEU 165 CO 0.36 -0.45 1.39 0.11 -1.11 0.00 0.00 177.39 177.68 1djh h LYS 166 N 0.00 0.02 0.00 1.96 1.79 0.21 0.63 116.57 121.18 1djh h LYS 166 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1djh h LYS 166 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1djh h LYS 166 CO 0.00 0.01 0.00 -3.47 -1.08 0.00 0.00 179.45 174.91 1djh n ASP 167 N -4.13 0.00 -0.25 0.86 2.03 0.85 -3.57 116.55 112.35 1djh n ASP 167 Ca 0.36 0.53 0.09 0.00 0.52 0.00 0.00 54.79 56.29 1djh n ASP 167 Cb 1.62 -0.20 0.18 0.00 -0.72 0.00 0.00 41.12 42.00 1djh n ASP 167 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1djh n PHE 168 N -1.09 0.40 0.00 -0.67 7.35 0.34 -1.74 117.46 122.06 1djh n PHE 168 Ca 0.00 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1djh n PHE 168 Cb 0.00 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 38.83 1djh n PHE 168 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1djh n LEU 169 N -5.02 0.00 0.33 -2.13 4.77 0.05 -1.27 117.00 113.73 1djh n LEU 169 Ca 0.15 0.99 0.08 0.00 -0.03 0.00 0.00 56.01 57.20 1djh n LEU 169 Cb 0.50 -0.49 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 1djh n LEU 169 CO -0.06 -0.49 1.05 0.11 -1.33 0.00 0.00 177.39 176.67 1djh h LYS 170 N 0.00 0.00 -0.04 3.23 1.57 -1.29 0.41 116.57 120.44 1djh h LYS 170 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1djh h LYS 170 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1djh h LYS 170 CO 0.00 0.00 -0.17 1.49 -0.57 0.00 0.00 179.45 180.20 1djh h GLU 171 N 0.00 0.06 -0.79 3.15 4.81 -1.00 0.39 114.58 121.20 1djh h GLU 171 Ca 0.00 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 1djh h GLU 171 Cb 1.30 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.49 1djh h GLU 171 CO 0.00 0.23 0.37 1.28 -0.73 0.00 0.00 179.01 180.16 1djh n LEU 172 N -4.31 6.14 -0.57 1.64 4.77 0.14 -4.87 117.00 119.94 1djh n LEU 172 Ca -0.02 -3.38 -0.04 0.00 -0.03 0.00 0.00 56.01 52.53 1djh n LEU 172 Cb 0.25 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 1djh n LEU 172 CO 0.37 0.92 -0.04 -3.20 -1.33 0.00 0.00 177.39 174.10 1djh n ASN 173 N -0.56 -2.80 -4.67 -1.43 2.85 0.13 -4.88 115.26 103.90 1djh n ASN 173 Ca 0.46 0.11 -0.43 0.00 -0.11 0.00 0.00 54.58 54.62 1djh n ASN 173 Cb 1.45 -2.24 -0.02 0.00 1.24 0.00 0.00 39.78 40.21 1djh n ASN 173 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1djh s ILE 174 N -1.09 4.34 -0.71 -1.44 1.01 -1.22 -4.93 121.20 117.15 1djh s ILE 174 Ca 0.00 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.32 1djh s ILE 174 Cb 0.00 -4.05 0.20 0.00 0.01 0.00 0.00 42.46 38.63 1djh s ILE 174 CO 0.00 -0.11 0.63 0.00 0.00 0.00 0.00 174.94 175.45 1djh n GLN 175 N 6.29 2.20 -2.95 2.79 6.02 -1.26 -3.18 117.38 127.28 1djh n GLN 175 Ca 0.13 -4.56 -0.40 0.00 -0.01 0.00 0.00 57.00 52.16 1djh n GLN 175 Cb 0.45 -2.29 -0.05 0.00 1.02 0.00 0.00 30.24 29.37 1djh n GLN 175 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1djh s VAL 176 N -1.84 4.78 1.01 5.09 -7.23 -1.26 -4.76 120.40 116.20 1djh s VAL 176 Ca 0.30 1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 62.02 1djh s VAL 176 Cb 0.02 -4.13 0.16 0.00 0.56 0.00 0.00 36.38 32.99 1djh s VAL 176 CO -0.11 0.32 0.84 -0.90 -0.31 0.00 0.00 175.10 174.95 1djh n ASP 177 N 3.06 -0.99 -4.35 4.85 5.75 -1.26 -4.82 116.55 118.79 1djh n ASP 177 Ca -0.01 0.19 -0.29 0.00 -0.01 0.00 0.00 54.79 54.67 1djh n ASP 177 Cb 0.50 -1.31 0.22 0.00 -1.03 0.00 0.00 41.12 39.50 1djh n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1djh s ASP 178 N -2.36 1.58 0.00 -1.12 2.15 -1.26 -3.25 116.67 112.41 1djh s ASP 178 Ca 0.64 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.68 1djh s ASP 178 Cb -0.22 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 1djh s ASP 178 CO 0.63 -3.76 0.00 0.61 -0.17 0.00 0.00 175.17 172.47 1djh n GLY 179 N -0.56 2.06 0.23 2.66 0.00 -1.26 -4.43 105.19 103.88 1djh n GLY 179 Ca 0.07 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1djh n GLY 179 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1djh h TYR 180 N 0.00 -0.47 -1.00 1.61 3.20 -1.95 0.29 116.97 118.65 1djh h TYR 180 Ca 0.00 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.06 1djh h TYR 180 Cb 0.00 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.32 1djh h TYR 180 CO 0.00 -0.23 0.61 0.00 -1.64 0.00 0.00 178.16 176.90 1djh h ALA 181 N 0.00 1.70 0.27 1.82 0.00 -1.76 0.64 119.26 121.93 1djh h ALA 181 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1djh h ALA 181 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1djh h ALA 181 CO 0.08 -0.09 -0.13 -0.09 0.00 0.00 0.00 179.25 179.02 1djh h ARG 182 N 0.73 -0.35 -0.70 0.00 1.12 -1.79 -1.05 114.38 112.35 1djh h ARG 182 Ca 0.59 0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.61 1djh h ARG 182 Cb 0.96 0.08 -0.13 0.00 -0.01 0.00 0.00 29.97 30.87 1djh h ARG 182 CO -0.39 0.00 -0.30 -0.22 -3.11 0.00 0.00 179.97 175.95 1djh h LYS 183 N -0.88 -0.09 -0.49 0.20 3.64 0.46 0.98 116.57 120.39 1djh h LYS 183 Ca -0.04 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1djh h LYS 183 Cb 0.51 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1djh h LYS 183 CO 0.06 -0.06 0.08 0.82 -2.27 0.00 0.00 179.45 178.08 1djh h ILE 184 N -0.10 1.22 -0.40 2.00 1.08 -0.95 0.15 117.51 120.51 1djh h ILE 184 Ca 0.29 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1djh h ILE 184 Cb 0.56 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1djh h ILE 184 CO -0.76 0.31 0.14 0.15 -0.69 0.00 0.00 178.15 177.30 1djh h PHE 185 N 0.73 0.64 -0.19 1.37 3.57 0.12 -2.34 116.94 120.83 1djh h PHE 185 Ca 0.16 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1djh h PHE 185 Cb 0.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1djh h PHE 185 CO 0.02 0.58 0.09 0.00 -2.23 0.00 0.00 178.31 176.77 1djh h ARG 186 N 0.51 0.28 -0.35 1.11 -0.00 0.14 -1.97 114.38 114.11 1djh h ARG 186 Ca 0.13 -0.05 0.10 0.00 -0.50 0.00 0.00 59.98 59.67 1djh h ARG 186 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.14 1djh h ARG 186 CO -0.01 0.33 0.38 0.93 0.00 0.00 0.00 179.97 181.60 1djh h GLU 187 N 0.17 0.00 0.00 0.04 5.08 -0.80 -1.26 114.58 117.81 1djh h GLU 187 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1djh h GLU 187 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1djh h GLU 187 CO -0.01 0.00 -1.10 0.00 -1.00 0.00 0.00 179.01 176.91 1djh s ASP 189 N -5.38 6.18 0.04 0.00 2.15 -0.48 -4.80 116.67 114.38 1djh s ASP 189 Ca -0.01 -0.92 -0.26 0.00 0.43 0.00 0.00 52.55 51.79 1djh s ASP 189 Cb 0.10 -2.45 -0.17 0.00 -0.30 0.00 0.00 42.92 40.10 1djh s ASP 189 CO 0.80 -1.51 1.47 0.45 -0.17 0.00 0.00 175.17 176.21 1djh h HIS 190 N 9.64 -0.31 -1.26 -5.34 3.86 -1.87 -3.19 115.15 116.69 1djh h HIS 190 Ca -0.27 -0.01 0.36 0.00 -1.16 0.00 0.00 60.37 59.29 1djh h HIS 190 Cb 1.07 0.10 -0.08 0.00 1.06 0.00 0.00 27.41 29.56 1djh h HIS 190 CO 1.00 -0.06 0.87 0.66 0.86 0.00 0.00 177.93 181.26 1djh h SER 191 N -0.52 0.16 -0.03 2.45 4.64 -1.91 -3.45 113.55 114.89 1djh h SER 191 Ca -0.03 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1djh h SER 191 Cb 0.39 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1djh h SER 191 CO 0.06 -0.01 -0.01 0.00 -0.87 0.00 0.00 176.83 176.00 1djh n GLN 192 N -4.36 -0.28 0.00 4.77 1.13 -1.21 -4.89 117.38 112.55 1djh n GLN 192 Ca 0.29 0.17 0.13 0.00 -1.94 0.00 0.00 57.00 55.65 1djh n GLN 192 Cb 1.26 -3.46 0.43 0.00 0.11 0.00 0.00 30.24 28.58 1djh n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1djh n THR 193 N -2.87 0.00 -2.84 5.09 -2.24 -1.26 -4.94 114.28 105.23 1djh n THR 193 Ca -0.01 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1djh n THR 193 Cb 0.08 0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1djh n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djh n ASP 194 N -1.15 -3.32 -3.86 3.42 9.92 -1.26 -5.05 116.55 115.25 1djh n ASP 194 Ca 0.10 -0.21 -0.12 0.00 -0.53 0.00 0.00 54.79 54.03 1djh n ASP 194 Cb 0.32 -2.25 -0.12 0.00 -0.64 0.00 0.00 41.12 38.43 1djh n ASP 194 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1djh s SER 195 N -3.21 -0.04 -0.45 -2.24 0.01 -1.26 -4.55 113.70 101.97 1djh s SER 195 Ca 0.18 0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.33 1djh s SER 195 Cb -0.08 0.21 0.07 0.00 0.21 0.00 0.00 66.02 66.43 1djh s SER 195 CO 0.28 -0.16 0.33 -0.76 0.41 0.00 0.00 173.24 173.35 1djh s LEU 196 N -0.50 5.40 0.47 2.44 1.43 0.36 -4.79 118.68 123.48 1djh s LEU 196 Ca -0.06 -1.37 -0.20 0.00 -1.03 0.00 0.00 54.13 51.48 1djh s LEU 196 Cb -0.04 -2.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 1djh s LEU 196 CO 0.00 -0.59 0.98 -1.61 0.23 0.00 0.00 176.35 175.37 1djh s GLU 197 N 1.56 4.03 0.00 1.70 8.01 -1.26 -2.13 118.70 130.60 1djh s GLU 197 Ca 0.04 1.16 0.00 0.00 0.01 0.00 0.00 54.97 56.18 1djh s GLU 197 Cb -0.23 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.44 1djh s GLU 197 CO 0.05 -0.21 0.00 -0.25 0.01 0.00 0.00 175.26 174.86 1djh n ASP 198 N -0.94 0.00 -0.32 -0.19 9.92 -1.26 -1.49 116.55 122.26 1djh n ASP 198 Ca 0.08 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.48 1djh n ASP 198 Cb 0.54 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 41.35 1djh n ASP 198 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1djh h GLU 199 N 0.00 0.48 -0.43 -1.24 4.11 -2.00 0.55 114.58 116.06 1djh h GLU 199 Ca 0.00 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.52 1djh h GLU 199 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1djh h GLU 199 CO 0.00 0.32 0.55 0.93 0.07 0.00 0.00 179.01 180.88 1djh h GLU 200 N 0.50 0.00 -0.03 1.06 5.08 -1.58 0.91 114.58 120.52 1djh h GLU 200 Ca 0.59 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.71 1djh h GLU 200 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1djh h GLU 200 CO -0.49 0.00 -0.94 0.82 -1.00 0.00 0.00 179.01 177.39 1djh h ILE 201 N 0.00 1.33 0.55 3.13 1.08 0.25 0.90 117.51 124.75 1djh h ILE 201 Ca 0.20 -2.28 -0.03 0.00 -0.39 0.00 0.00 64.86 62.37 1djh h ILE 201 Cb 1.30 2.32 0.01 0.00 -3.07 0.00 0.00 36.82 37.37 1djh h ILE 201 CO -0.00 0.70 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.56 1djh h GLU 202 N 0.34 -0.71 -0.97 2.37 5.08 0.76 -1.98 114.58 119.46 1djh h GLU 202 Ca -0.09 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1djh h GLU 202 Cb 1.58 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.90 1djh h GLU 202 CO 0.18 -0.43 0.62 1.15 -1.00 0.00 0.00 179.01 179.53 1djh h THR 203 N -0.86 0.65 0.25 1.13 2.02 -0.97 -1.71 112.91 113.43 1djh h THR 203 Ca -0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1djh h THR 203 Cb 0.61 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1djh h THR 203 CO 0.12 0.09 -0.12 0.15 0.37 0.00 0.00 175.52 176.14 1djh h PHE 204 N 0.51 -0.32 -0.66 3.16 3.57 -0.42 -2.54 116.94 120.25 1djh h PHE 204 Ca 0.53 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.10 1djh h PHE 204 Cb 1.17 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1djh h PHE 204 CO -0.00 0.00 0.44 -0.92 -2.23 0.00 0.00 178.31 175.60 1djh h TYR 205 N -0.66 0.62 -0.14 0.41 3.20 -0.62 -2.11 116.97 117.67 1djh h TYR 205 Ca -0.03 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 1djh h TYR 205 Cb 0.46 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1djh h TYR 205 CO 0.02 0.32 -0.67 0.87 -1.64 0.00 0.00 178.16 177.06 1djh h LYS 206 N 0.60 0.70 -0.51 1.82 1.57 -1.36 -0.48 116.57 118.91 1djh h LYS 206 Ca 0.29 -0.57 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1djh h LYS 206 Cb 0.37 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1djh h LYS 206 CO -0.09 1.18 0.34 0.52 -0.57 0.00 0.00 179.45 180.82 1djh h MET 207 N 0.39 0.57 0.02 3.15 2.86 -1.02 0.10 114.93 121.01 1djh h MET 207 Ca -0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1djh h MET 207 Cb 1.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1djh h MET 207 CO 0.14 0.38 -0.01 1.25 1.06 0.00 0.00 176.91 179.73 1djh h LEU 208 N 0.59 -0.03 -2.00 1.22 5.85 -1.18 -3.35 115.31 116.41 1djh h LEU 208 Ca 0.20 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1djh h LEU 208 Cb 0.08 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1djh h LEU 208 CO -0.05 0.46 0.00 0.35 -0.34 0.00 0.00 178.44 178.86 1djh n THR 209 N -4.87 0.17 -2.36 1.05 -2.24 -0.21 -4.98 114.28 100.85 1djh n THR 209 Ca -0.08 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1djh n THR 209 Cb 0.25 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 1djh n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djh s GLN 210 N -1.83 4.52 -0.45 -0.78 -2.07 0.33 -4.97 119.66 114.41 1djh s GLN 210 Ca 0.32 1.92 -0.01 0.00 -1.82 0.00 0.00 55.36 55.77 1djh s GLN 210 Cb 0.21 -3.18 0.12 0.00 -1.09 0.00 0.00 33.01 29.07 1djh s GLN 210 CO 0.31 0.01 0.23 1.03 -1.32 0.00 0.00 175.29 175.54 1djh s ARG 211 N -1.03 2.01 0.24 9.60 0.52 -1.26 -4.97 118.95 124.05 1djh s ARG 211 Ca 0.49 -2.06 -0.05 0.00 -0.52 0.00 0.00 55.73 53.59 1djh s ARG 211 Cb -0.34 -3.51 0.38 0.00 0.52 0.00 0.00 34.95 32.00 1djh s ARG 211 CO 0.42 -1.07 1.79 0.00 0.02 0.00 0.00 175.30 176.46 1djh h ALA 212 N 7.60 1.10 -0.73 2.13 0.00 -1.99 -0.53 119.26 126.83 1djh h ALA 212 Ca -0.08 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1djh h ALA 212 Cb 1.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1djh h ALA 212 CO 0.66 0.01 0.48 1.05 0.00 0.00 0.00 179.25 181.46 1djh h GLU 213 N 0.69 0.49 -0.11 0.00 9.09 -1.99 0.17 114.58 122.91 1djh h GLU 213 Ca 0.38 -0.03 -0.10 0.00 0.05 0.00 0.00 59.36 59.67 1djh h GLU 213 Cb 0.40 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1djh h GLU 213 CO -0.27 0.32 -0.31 0.82 0.05 0.00 0.00 179.01 179.63 1djh h ILE 214 N 0.50 1.39 -0.16 -1.06 1.08 -1.55 -1.96 117.51 115.75 1djh h ILE 214 Ca 0.35 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 1djh h ILE 214 Cb 0.66 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.51 1djh h ILE 214 CO -0.12 0.48 -0.14 0.44 -0.69 0.00 0.00 178.15 178.12 1djh h ASP 215 N -0.03 -0.43 -0.77 1.72 3.32 -0.34 -0.52 116.42 119.36 1djh h ASP 215 Ca -0.01 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1djh h ASP 215 Cb 0.92 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1djh h ASP 215 CO 0.07 -0.18 0.40 -0.09 -1.72 0.00 0.00 179.24 177.72 1djh h ARG 216 N -0.15 1.10 -0.63 3.56 2.43 -0.73 -1.36 114.38 118.60 1djh h ARG 216 Ca 0.10 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1djh h ARG 216 Cb 0.30 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1djh h ARG 216 CO -0.25 0.83 0.41 0.00 -1.51 0.00 0.00 179.97 179.45 1djh h ALA 217 N 1.21 0.80 0.48 2.80 0.00 -0.70 -1.08 119.26 122.75 1djh h ALA 217 Ca 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1djh h ALA 217 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1djh h ALA 217 CO -0.04 0.20 -0.24 0.35 0.00 0.00 0.00 179.25 179.53 1djh h PHE 218 N 0.83 -0.62 -0.86 0.00 3.57 -0.66 -2.06 116.94 117.14 1djh h PHE 218 Ca 0.23 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.85 1djh h PHE 218 Cb -0.07 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 1djh h PHE 218 CO -0.03 -0.38 0.48 1.05 -2.23 0.00 0.00 178.31 177.19 1djh h GLU 219 N -0.65 0.71 -0.65 1.11 4.11 -0.96 0.79 114.58 119.03 1djh h GLU 219 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1djh h GLU 219 Cb 0.51 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1djh h GLU 219 CO 0.10 0.47 0.35 0.93 0.07 0.00 0.00 179.01 180.93 1djh h GLU 220 N 0.73 0.90 -0.02 1.06 5.08 -1.01 0.63 114.58 121.94 1djh h GLU 220 Ca 0.45 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1djh h GLU 220 Cb 0.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1djh h GLU 220 CO -0.31 0.66 -0.27 0.00 -1.00 0.00 0.00 179.01 178.09 1djh h ALA 221 N 1.48 0.06 0.00 3.43 0.00 0.41 -3.35 119.26 121.29 1djh h ALA 221 Ca 0.23 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1djh h ALA 221 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1djh h ALA 221 CO -0.04 0.11 -1.11 0.00 0.00 0.00 0.00 179.25 178.21 1djh h ALA 222 N 0.32 0.51 -0.35 0.00 0.00 0.61 -3.46 119.26 116.89 1djh h ALA 222 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1djh h ALA 222 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1djh h ALA 222 CO 0.05 1.21 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1djh n GLY 223 N 1.38 1.35 0.14 0.00 0.00 0.22 -3.43 105.19 104.85 1djh n GLY 223 Ca -0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 1djh n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1djh h SER 224 N 5.35 0.03 -2.91 1.61 4.64 -1.96 -3.44 113.55 116.87 1djh h SER 224 Ca 0.00 0.05 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 1djh h SER 224 Cb 0.00 0.06 0.20 0.00 -0.31 0.00 0.00 62.40 62.35 1djh h SER 224 CO 0.00 0.05 -0.78 0.00 -0.87 0.00 0.00 176.83 175.24 1djh n ALA 225 N -2.35 -2.63 0.82 5.18 0.00 -1.22 -4.87 120.51 115.44 1djh n ALA 225 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.18 1djh n ALA 225 Cb 0.13 -1.67 0.21 0.00 0.00 0.00 0.00 19.45 18.12 1djh n ALA 225 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1djh n GLU 226 N -0.13 2.27 -4.01 0.00 1.02 -1.26 -4.89 120.64 113.64 1djh n GLU 226 Ca 0.07 -1.89 -0.08 0.00 -0.02 0.00 0.00 57.16 55.24 1djh n GLU 226 Cb 0.51 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 1djh n GLU 226 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1djh s THR 227 N -1.80 0.16 -0.25 2.62 2.01 -1.26 -4.55 115.64 112.58 1djh s THR 227 Ca 0.33 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 1djh s THR 227 Cb 0.21 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1djh s THR 227 CO 0.31 -0.72 0.33 -0.76 -0.69 0.00 0.00 174.62 173.09 1djh s LEU 228 N -2.18 4.08 0.34 4.42 1.43 0.25 -4.81 118.68 122.21 1djh s LEU 228 Ca -0.04 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1djh s LEU 228 Cb -0.01 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1djh s LEU 228 CO -0.05 -0.10 0.65 -0.94 0.23 0.00 0.00 176.35 176.13 1djh s SER 229 N 1.38 6.49 0.40 2.29 1.04 -1.26 0.13 113.70 124.17 1djh s SER 229 Ca 0.14 0.91 0.21 0.00 0.48 0.00 0.00 55.95 57.69 1djh s SER 229 Cb -0.15 -2.23 1.19 0.00 0.10 0.00 0.00 66.02 64.93 1djh s SER 229 CO 0.09 -0.28 1.71 0.58 0.98 0.00 0.00 173.24 176.32 1djh h VAL 230 N 1.27 0.38 -0.01 5.02 2.07 -1.92 0.70 116.25 123.76 1djh h VAL 230 Ca -0.47 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 66.77 1djh h VAL 230 Cb 1.19 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1djh h VAL 230 CO 0.65 0.05 -0.78 -0.33 0.02 0.00 0.00 177.57 177.19 1djh h GLU 231 N 0.30 0.10 0.03 1.57 3.07 -1.92 -0.68 114.58 117.05 1djh h GLU 231 Ca 0.68 -0.10 -0.26 0.00 -0.50 0.00 0.00 59.36 59.17 1djh h GLU 231 Cb 1.83 0.03 0.02 0.00 -0.84 0.00 0.00 28.75 29.79 1djh h GLU 231 CO -0.37 0.83 -1.04 0.00 -1.40 0.00 0.00 179.01 177.02 1djh h ARG 232 N 0.06 0.66 0.13 2.33 2.47 -0.21 -2.67 114.38 117.15 1djh h ARG 232 Ca -0.02 -0.74 0.01 0.00 -1.26 0.00 0.00 59.98 57.97 1djh h ARG 232 Cb 1.36 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.88 1djh h ARG 232 CO 0.11 1.32 -0.19 1.25 0.56 0.00 0.00 179.97 183.02 1djh h LEU 233 N 0.32 -0.53 -0.85 3.04 5.85 -0.04 -1.27 115.31 121.82 1djh h LEU 233 Ca -0.14 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.78 1djh h LEU 233 Cb 1.71 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.84 1djh h LEU 233 CO 0.20 -0.28 0.45 0.58 -0.34 0.00 0.00 178.44 179.06 1djh h VAL 234 N -0.38 0.77 -0.33 1.05 2.07 -1.17 0.42 116.25 118.68 1djh h VAL 234 Ca 0.02 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1djh h VAL 234 Cb 0.39 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1djh h VAL 234 CO -0.09 0.12 -0.04 0.74 0.02 0.00 0.00 177.57 178.33 1djh h THR 235 N 0.67 1.21 -0.07 2.57 2.02 -1.03 -0.97 112.91 117.32 1djh h THR 235 Ca 0.45 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1djh h THR 235 Cb 0.59 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1djh h THR 235 CO -0.33 0.29 -0.03 0.15 0.37 0.00 0.00 175.52 175.97 1djh h PHE 236 N 0.51 0.16 -0.93 3.16 3.57 0.80 0.49 116.94 124.69 1djh h PHE 236 Ca 0.10 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1djh h PHE 236 Cb 0.38 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1djh h PHE 236 CO 0.01 0.50 0.60 -0.07 -2.23 0.00 0.00 178.31 177.12 1djh h LEU 237 N -0.24 0.83 0.00 0.59 3.38 -0.41 0.47 115.31 119.93 1djh h LEU 237 Ca 0.02 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1djh h LEU 237 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1djh h LEU 237 CO 0.01 0.47 -0.48 1.56 0.09 0.00 0.00 178.44 180.08 1djh h GLN 238 N 0.90 0.00 -0.13 1.13 4.20 -1.04 0.71 115.11 120.89 1djh h GLN 238 Ca 0.44 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.05 1djh h GLN 238 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1djh h GLN 238 CO -0.21 0.89 -0.31 1.25 -0.67 0.00 0.00 178.83 179.78 1djh h HIS 239 N -1.00 0.56 0.00 2.96 2.76 0.15 -2.79 115.15 117.79 1djh h HIS 239 Ca -0.13 -0.21 -0.05 0.00 -2.20 0.00 0.00 60.37 57.78 1djh h HIS 239 Cb 1.02 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1djh h HIS 239 CO 0.17 0.93 -0.63 1.96 -1.30 0.00 0.00 177.93 179.06 1djh h GLN 240 N 0.02 0.00 0.00 5.26 1.08 -0.29 -3.39 115.11 117.80 1djh h GLN 240 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1djh h GLN 240 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1djh h GLN 240 CO 0.07 0.25 0.00 1.04 -0.95 0.00 0.00 178.83 179.24 1djh n GLN 241 N -4.59 0.27 -4.22 1.46 1.13 -0.32 -3.71 117.38 107.40 1djh n GLN 241 Ca -0.12 0.05 -0.36 0.00 -1.94 0.00 0.00 57.00 54.62 1djh n GLN 241 Cb 0.34 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 1djh n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djh n ARG 242 N -1.34 -3.23 -2.48 -1.09 5.12 -0.43 -4.51 116.66 108.70 1djh n ARG 242 Ca 0.10 0.38 -0.42 0.00 -1.93 0.00 0.00 57.85 55.99 1djh n ARG 242 Cb 0.23 -5.12 -0.03 0.00 -1.16 0.00 0.00 32.46 26.37 1djh n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1djh s GLU 243 N -6.93 4.50 0.16 5.56 0.41 0.11 -4.92 118.70 117.59 1djh s GLU 243 Ca 0.75 1.72 0.06 0.00 -0.41 0.00 0.00 54.97 57.09 1djh s GLU 243 Cb -0.41 -3.33 -0.06 0.00 -1.78 0.00 0.00 34.13 28.55 1djh s GLU 243 CO 0.93 -0.11 1.36 0.93 -0.49 0.00 0.00 175.26 177.87 1djh h GLU 244 N 6.13 0.05 -0.89 1.61 5.08 -1.90 -2.91 114.58 121.75 1djh h GLU 244 Ca -0.43 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 1djh h GLU 244 Cb 1.21 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 1djh h GLU 244 CO 0.77 0.93 0.17 0.39 -1.00 0.00 0.00 179.01 180.27 1djh n GLU 245 N -3.51 2.34 -1.87 2.33 1.02 -1.26 -4.92 120.64 114.76 1djh n GLU 245 Ca -0.01 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.11 1djh n GLU 245 Cb 0.86 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 1djh n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djh s ALA 246 N -1.81 3.71 0.00 0.62 0.00 -1.10 -4.60 121.76 118.59 1djh s ALA 246 Ca 0.29 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1djh s ALA 246 Cb 0.23 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1djh s ALA 246 CO 0.07 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1djh n GLY 247 N 4.04 -0.90 0.36 0.00 0.00 -1.26 -4.98 105.19 102.45 1djh n GLY 247 Ca 0.16 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.16 1djh n GLY 247 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djh h PRO 248 N 0.00 0.94 -0.91 1.61 0.11 -1.90 -0.40 132.00 131.45 1djh h PRO 248 Ca 0.00 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.09 1djh h PRO 248 Cb 0.00 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 30.85 1djh h PRO 248 CO 0.00 0.62 0.59 0.00 -0.21 0.00 0.00 178.00 179.00 1djh h ALA 249 N 1.53 1.19 0.36 -0.75 0.00 -1.95 0.13 119.26 119.78 1djh h ALA 249 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1djh h ALA 249 Cb 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1djh h ALA 249 CO -0.16 0.45 -0.17 1.25 0.00 0.00 0.00 179.25 180.62 1djh h LEU 250 N 1.14 -0.41 -1.26 0.00 5.85 -1.39 -2.19 115.31 117.06 1djh h LEU 250 Ca 0.36 -0.13 0.23 0.00 0.84 0.00 0.00 57.88 59.17 1djh h LEU 250 Cb 0.00 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1djh h LEU 250 CO -0.12 0.03 0.63 0.00 -0.34 0.00 0.00 178.44 178.64 1djh h ALA 251 N -0.68 2.02 -0.30 1.25 0.00 -1.00 -0.57 119.26 119.97 1djh h ALA 251 Ca -0.05 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1djh h ALA 251 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1djh h ALA 251 CO 0.08 -0.39 -0.11 -0.07 0.00 0.00 0.00 179.25 178.76 1djh h LEU 252 N 0.53 0.62 -0.76 0.00 3.38 -0.69 -2.35 115.31 116.04 1djh h LEU 252 Ca 0.57 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1djh h LEU 252 Cb 1.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1djh h LEU 252 CO -0.31 0.87 -0.32 0.77 0.09 0.00 0.00 178.44 179.54 1djh h SER 253 N 0.36 0.60 -0.49 -0.43 4.64 -0.51 -1.46 113.55 116.27 1djh h SER 253 Ca 0.07 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1djh h SER 253 Cb 0.62 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1djh h SER 253 CO 0.04 0.88 0.28 -0.07 -0.87 0.00 0.00 176.83 177.09 1djh h LEU 254 N 0.50 0.43 -0.32 5.97 3.38 -0.96 0.35 115.31 124.67 1djh h LEU 254 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1djh h LEU 254 Cb 0.79 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1djh h LEU 254 CO 0.06 0.31 0.03 0.40 0.09 0.00 0.00 178.44 179.33 1djh h ILE 255 N 0.55 1.24 -0.07 1.22 2.04 -1.13 0.67 117.51 122.03 1djh h ILE 255 Ca 0.20 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1djh h ILE 255 Cb 0.05 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1djh h ILE 255 CO -0.11 0.28 0.05 -0.08 0.00 0.00 0.00 178.15 178.29 1djh h GLU 256 N 0.36 0.10 -0.38 2.37 4.57 -0.87 0.52 114.58 121.24 1djh h GLU 256 Ca 0.09 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1djh h GLU 256 Cb 0.38 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1djh h GLU 256 CO 0.01 0.09 0.06 -0.09 -1.18 0.00 0.00 179.01 177.90 1djh h ARG 257 N 0.08 0.63 0.00 1.92 2.43 -0.14 -3.38 114.38 115.91 1djh h ARG 257 Ca 0.03 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1djh h ARG 257 Cb 0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1djh h ARG 257 CO -0.01 0.68 -1.00 0.66 -1.51 0.00 0.00 179.97 178.79 1djh n TYR 258 N -4.55 0.00 -2.18 2.20 4.01 0.23 -5.00 117.16 111.88 1djh n TYR 258 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1djh n TYR 258 Cb 0.23 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1djh n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djh s GLU 259 N -2.30 4.19 0.12 -0.72 2.56 0.17 -4.47 118.70 118.25 1djh s GLU 259 Ca -0.01 1.96 -0.08 0.00 0.00 0.00 0.00 54.97 56.84 1djh s GLU 259 Cb 0.06 -3.90 -0.11 0.00 2.00 0.00 0.00 34.13 32.18 1djh s GLU 259 CO 0.37 -0.80 1.31 -1.00 -0.56 0.00 0.00 175.26 174.57 1djh h PRO 260 N 9.03 0.58 -6.10 4.30 0.13 -1.91 -3.44 132.00 134.59 1djh h PRO 260 Ca -0.34 -0.55 -0.52 0.00 -0.87 0.00 0.00 66.00 63.72 1djh h PRO 260 Cb 1.15 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1djh h PRO 260 CO 0.96 1.17 1.31 0.45 -0.23 0.00 0.00 178.00 181.66 1djh s SER 261 N -7.12 5.52 0.43 1.44 0.15 -1.26 -4.84 113.70 108.02 1djh s SER 261 Ca -0.08 0.62 0.23 0.00 0.70 0.00 0.00 55.95 57.42 1djh s SER 261 Cb 0.09 -2.53 1.22 0.00 -1.71 0.00 0.00 66.02 63.09 1djh s SER 261 CO 0.88 -2.13 1.76 -0.08 1.20 0.00 0.00 173.24 174.88 1djh h GLU 262 N 14.07 0.28 0.00 5.44 4.22 -1.99 0.28 114.58 136.88 1djh h GLU 262 Ca -0.28 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1djh h GLU 262 Cb 1.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1djh h GLU 262 CO 1.16 0.19 0.00 2.41 -2.18 0.00 0.00 179.01 180.59 1djh n THR 263 N -4.55 0.00 -0.35 0.32 -1.04 -1.26 -1.42 114.28 105.97 1djh n THR 263 Ca 0.26 1.03 0.25 0.00 -2.04 0.00 0.00 64.05 63.56 1djh n THR 263 Cb 1.00 -1.95 0.51 0.00 -1.82 0.00 0.00 70.33 68.07 1djh n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1djh h ALA 264 N -2.00 2.22 0.49 2.41 0.00 -1.75 1.19 119.26 121.82 1djh h ALA 264 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1djh h ALA 264 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1djh h ALA 264 CO 0.00 -0.72 -0.45 -0.22 0.00 0.00 0.00 179.25 177.86 1djh h LYS 265 N 0.35 -0.89 -1.05 0.00 3.64 -0.51 0.13 116.57 118.24 1djh h LYS 265 Ca 0.67 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 60.39 1djh h LYS 265 Cb 1.71 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 33.63 1djh h LYS 265 CO -0.41 -0.59 0.66 0.00 -2.27 0.00 0.00 179.45 176.84 1djh h ALA 266 N -1.04 2.13 -0.53 5.00 0.00 0.25 0.74 119.26 125.80 1djh h ALA 266 Ca -0.06 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1djh h ALA 266 Cb 0.79 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1djh h ALA 266 CO -0.03 -0.59 0.18 1.04 0.00 0.00 0.00 179.25 179.85 1djh n GLN 267 N -4.73 3.14 -3.78 0.00 6.02 0.73 -4.93 117.38 113.83 1djh n GLN 267 Ca 0.27 -2.25 -0.25 0.00 -0.01 0.00 0.00 57.00 54.76 1djh n GLN 267 Cb 0.89 -1.99 0.02 0.00 1.02 0.00 0.00 30.24 30.18 1djh n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djh n ARG 268 N 0.03 -3.42 -3.96 -1.09 1.74 0.25 -4.97 116.66 105.24 1djh n ARG 268 Ca 0.29 0.51 -0.09 0.00 -0.77 0.00 0.00 57.85 57.79 1djh n ARG 268 Cb 1.09 -4.72 -0.11 0.00 -1.02 0.00 0.00 32.46 27.70 1djh n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djh s GLN 269 N -6.14 0.39 -0.10 5.56 -0.21 0.32 -3.17 119.66 116.30 1djh s GLN 269 Ca 0.12 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1djh s GLN 269 Cb -0.04 0.15 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 1djh s GLN 269 CO 0.85 -0.08 -0.23 1.41 -2.12 0.00 0.00 175.29 175.12 1djh s MET 270 N -1.73 3.08 0.79 2.91 -2.45 0.35 -3.93 119.30 118.31 1djh s MET 270 Ca -0.13 -0.86 -0.06 0.00 -1.25 0.00 0.00 55.69 53.38 1djh s MET 270 Cb -0.07 -2.33 0.14 0.00 1.25 0.00 0.00 34.83 33.81 1djh s MET 270 CO -0.01 0.18 1.09 0.95 1.05 0.00 0.00 175.02 178.28 1djh s THR 271 N 0.35 2.13 0.34 10.11 -4.23 -1.26 0.87 115.64 123.94 1djh s THR 271 Ca -0.18 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1djh s THR 271 Cb -0.18 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.08 1djh s THR 271 CO 0.08 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.56 1djh h LYS 272 N -0.87 0.56 0.16 3.99 3.64 -1.99 -0.47 116.57 121.59 1djh h LYS 272 Ca -0.40 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1djh h LYS 272 Cb 1.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1djh h LYS 272 CO 0.43 0.55 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.64 1djh h ASP 273 N 0.55 -0.18 0.02 4.20 3.32 -1.98 -0.42 116.42 121.93 1djh h ASP 273 Ca 0.12 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1djh h ASP 273 Cb 0.27 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1djh h ASP 273 CO 0.00 0.02 -0.03 1.23 -1.72 0.00 0.00 179.24 178.74 1djh h GLY 274 N -0.38 0.02 0.92 2.75 0.00 -1.73 0.19 103.07 104.84 1djh h GLY 274 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1djh h GLY 274 CO 0.04 0.01 0.12 -2.75 0.00 0.00 0.00 176.54 173.96 1djh h PHE 275 N 0.02 0.46 -0.48 5.60 3.57 -0.17 0.18 116.94 126.12 1djh h PHE 275 Ca 0.00 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1djh h PHE 275 Cb 0.06 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1djh h PHE 275 CO 0.00 0.45 -0.20 1.25 -2.23 0.00 0.00 178.31 177.58 1djh h LEU 276 N 0.34 0.98 -0.37 0.59 5.85 0.25 -1.19 115.31 121.76 1djh h LEU 276 Ca 0.10 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1djh h LEU 276 Cb 0.18 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1djh h LEU 276 CO -0.01 1.14 0.18 0.24 -0.34 0.00 0.00 178.44 179.65 1djh h MET 277 N 0.84 0.36 0.28 1.25 2.86 -0.43 -0.18 114.93 119.90 1djh h MET 277 Ca 0.11 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1djh h MET 277 Cb 0.76 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1djh h MET 277 CO 0.06 0.24 -0.22 -0.92 1.06 0.00 0.00 176.91 177.13 1djh h TYR 278 N 0.37 -0.58 -0.37 -0.22 3.20 -0.63 -1.54 116.97 117.19 1djh h TYR 278 Ca 0.16 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.13 1djh h TYR 278 Cb 0.07 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1djh h TYR 278 CO -0.10 -0.33 0.27 -0.07 -1.64 0.00 0.00 178.16 176.28 1djh h LEU 279 N -0.51 0.00 -0.58 2.82 3.38 -0.79 0.01 115.31 119.64 1djh h LEU 279 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1djh h LEU 279 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1djh h LEU 279 CO -0.02 0.00 -0.29 0.18 0.09 0.00 0.00 178.44 178.41 1djh n LEU 280 N -4.40 1.19 -4.94 1.67 4.77 -0.12 -3.97 117.00 111.20 1djh n LEU 280 Ca 0.06 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 1djh n LEU 280 Cb 0.45 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.61 1djh n LEU 280 CO 0.36 0.22 0.81 -0.94 -1.33 0.00 0.00 177.39 176.51 1djh s SER 281 N -2.49 3.42 0.55 -1.43 1.04 -0.03 -4.86 113.70 109.89 1djh s SER 281 Ca 0.24 0.19 0.23 0.00 0.48 0.00 0.00 55.95 57.08 1djh s SER 281 Cb 0.19 -0.32 1.51 0.00 0.10 0.00 0.00 66.02 67.50 1djh s SER 281 CO 0.53 -2.53 2.18 0.00 0.98 0.00 0.00 173.24 174.40 1djh h ALA 282 N -1.41 1.72 0.00 5.32 0.00 -1.90 0.21 119.26 123.20 1djh h ALA 282 Ca -0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1djh h ALA 282 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1djh h ALA 282 CO 0.40 0.03 -0.38 -0.44 0.00 0.00 0.00 179.25 178.86 1djh h ASP 283 N 0.00 0.00 0.51 0.00 3.32 -1.92 -3.12 116.42 115.21 1djh h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1djh h ASP 283 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1djh h ASP 283 CO 0.00 0.38 -0.53 0.61 -1.72 0.00 0.00 179.24 177.97 1djh n GLY 284 N 1.05 -1.25 3.70 2.75 0.00 0.57 -4.93 105.19 107.08 1djh n GLY 284 Ca 0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1djh n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djh n ASN 285 N -1.55 3.11 0.28 1.61 2.85 -0.26 -2.10 115.26 119.19 1djh n ASN 285 Ca 0.05 1.16 0.16 0.00 -0.11 0.00 0.00 54.58 55.84 1djh n ASN 285 Cb 0.34 -1.49 0.78 0.00 1.24 0.00 0.00 39.78 40.66 1djh n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1djh h ALA 286 N 4.05 1.13 -2.23 5.20 0.00 -1.59 -3.38 119.26 122.43 1djh h ALA 286 Ca -0.46 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 1djh h ALA 286 Cb 1.26 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1djh h ALA 286 CO 0.74 0.10 0.19 0.12 0.00 0.00 0.00 179.25 180.40 1djh s PHE 287 N -3.99 3.10 -0.45 0.00 2.19 -1.26 -0.03 117.98 117.54 1djh s PHE 287 Ca -0.02 0.23 -0.43 0.00 0.33 0.00 0.00 56.93 57.04 1djh s PHE 287 Cb 0.12 -3.30 -0.18 0.00 -1.31 0.00 0.00 43.02 38.35 1djh s PHE 287 CO 0.55 -0.76 1.94 0.45 1.83 0.00 0.00 175.22 179.23 1djh n SER 288 N 6.24 1.32 0.20 6.13 2.88 0.16 -4.84 113.62 125.72 1djh n SER 288 Ca -0.00 0.84 0.09 0.00 -1.33 0.00 0.00 58.87 58.47 1djh n SER 288 Cb 0.48 -0.98 0.62 0.00 -0.75 0.00 0.00 64.21 63.58 1djh n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djh h LEU 289 N 8.10 0.05 -1.13 2.46 5.85 -1.85 -2.17 115.31 126.62 1djh h LEU 289 Ca -0.27 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1djh h LEU 289 Cb 1.38 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1djh h LEU 289 CO 1.03 0.04 -0.43 0.00 -0.34 0.00 0.00 178.44 178.73 1djh h ALA 290 N 1.94 1.28 -0.00 1.25 0.00 -1.94 -2.33 119.26 119.45 1djh h ALA 290 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1djh h ALA 290 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1djh h ALA 290 CO -0.01 0.54 -0.04 0.72 0.00 0.00 0.00 179.25 180.47 1djh n HIS 291 N -4.02 0.00 -0.57 0.00 8.25 -0.82 -3.71 115.22 114.34 1djh n HIS 291 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1djh n HIS 291 Cb 0.46 -0.08 0.14 0.00 1.12 0.00 0.00 29.99 31.63 1djh n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djh n ARG 292 N -0.73 2.07 -3.77 -0.41 1.74 -0.88 -1.61 116.66 113.07 1djh n ARG 292 Ca 0.19 -2.16 -0.11 0.00 -0.77 0.00 0.00 57.85 54.99 1djh n ARG 292 Cb 0.23 -1.86 -0.08 0.00 -1.02 0.00 0.00 32.46 29.74 1djh n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djh s ARG 293 N -2.35 0.78 0.05 5.56 1.70 -1.24 -4.35 118.95 119.10 1djh s ARG 293 Ca 0.41 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.85 1djh s ARG 293 Cb 0.34 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.97 1djh s ARG 293 CO 0.08 -0.24 1.83 0.08 -1.08 0.00 0.00 175.30 175.97 1djh s VAL 294 N -2.48 2.98 0.00 4.99 1.01 -1.25 -2.90 120.40 122.75 1djh s VAL 294 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1djh s VAL 294 Cb -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1djh s VAL 294 CO -0.03 -0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.17 1djh n TYR 295 N 6.69 0.00 -2.72 5.22 4.11 -1.26 -4.95 117.16 124.24 1djh n TYR 295 Ca 0.18 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.88 1djh n TYR 295 Cb 0.40 -0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.78 1djh n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1djh s GLN 296 N -0.00 2.58 -0.51 -3.48 -0.21 -1.26 -5.00 119.66 111.77 1djh s GLN 296 Ca 0.00 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 1djh s GLN 296 Cb 0.00 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1djh s GLN 296 CO 0.00 -0.64 1.66 0.34 -2.12 0.00 0.00 175.29 174.53 1djh s ASP 297 N -4.42 5.80 -0.19 5.90 -1.08 -1.26 -4.85 116.67 116.57 1djh s ASP 297 Ca 0.57 0.59 0.08 0.00 -0.52 0.00 0.00 52.55 53.28 1djh s ASP 297 Cb -0.10 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.38 1djh s ASP 297 CO 0.37 -1.91 1.42 0.23 0.52 0.00 0.00 175.17 175.81 1djh n MET 298 N 8.74 3.37 -0.16 4.34 2.81 -1.26 -4.34 117.12 130.61 1djh n MET 298 Ca 0.18 -2.18 0.05 0.00 -1.81 0.00 0.00 57.70 53.94 1djh n MET 298 Cb 0.49 -2.00 0.14 0.00 -0.71 0.00 0.00 33.22 31.14 1djh n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djh n ASP 299 N 0.22 2.84 -4.97 7.83 8.00 -1.26 -1.68 116.55 127.53 1djh n ASP 299 Ca 0.24 -2.07 -0.20 0.00 0.71 0.00 0.00 54.79 53.46 1djh n ASP 299 Cb 0.99 -0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.91 1djh n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djh s GLN 300 N -1.13 2.55 0.35 -1.24 -0.21 -1.26 -4.76 119.66 113.95 1djh s GLN 300 Ca 0.21 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 1djh s GLN 300 Cb 0.12 -2.53 -0.11 0.00 1.00 0.00 0.00 33.01 31.49 1djh s GLN 300 CO 0.13 -0.67 1.37 -2.14 -2.12 0.00 0.00 175.29 171.86 1djh s PRO 301 N -4.71 4.26 0.34 2.91 0.02 -1.26 -3.70 135.00 132.87 1djh s PRO 301 Ca 0.57 2.35 0.13 0.00 0.02 0.00 0.00 61.00 64.07 1djh s PRO 301 Cb -0.10 -3.03 1.09 0.00 0.02 0.00 0.00 34.50 32.48 1djh s PRO 301 CO 0.38 -0.32 1.56 1.28 -0.33 0.00 0.00 177.00 179.57 1djh n LEU 302 N 0.67 0.15 0.04 -5.54 4.77 0.32 0.34 117.00 117.74 1djh n LEU 302 Ca 0.00 1.66 0.02 0.00 -0.03 0.00 0.00 56.01 57.67 1djh n LEU 302 Cb 0.41 -0.72 0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1djh n LEU 302 CO 0.61 -1.78 0.58 -1.54 -1.33 0.00 0.00 177.39 173.93 1djh n SER 303 N -5.35 0.13 -0.20 -1.43 3.41 -1.26 -1.28 113.62 107.64 1djh n SER 303 Ca 0.31 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1djh n SER 303 Cb 1.05 -0.50 0.29 0.00 -0.26 0.00 0.00 64.21 64.79 1djh n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djh n HIS 304 N -1.62 0.00 -4.22 7.33 8.25 0.15 -4.69 115.22 120.42 1djh n HIS 304 Ca -0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 1djh n HIS 304 Cb 0.09 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 30.99 1djh n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djh s TYR 305 N -2.65 2.84 0.08 4.41 1.51 -0.40 -0.82 117.35 122.31 1djh s TYR 305 Ca 0.20 -0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.92 1djh s TYR 305 Cb 0.19 -1.34 -0.07 0.00 -0.11 0.00 0.00 41.96 40.63 1djh s TYR 305 CO 0.59 0.54 0.56 -0.51 -1.11 0.00 0.00 175.55 175.62 1djh s LEU 306 N -3.17 4.51 -0.08 -1.29 1.43 0.20 -4.70 118.68 115.57 1djh s LEU 306 Ca 0.29 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1djh s LEU 306 Cb -0.09 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1djh s LEU 306 CO 0.19 0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 176.13 1djh s VAL 307 N -1.14 1.84 -0.15 -1.59 1.01 -0.63 -1.68 120.40 118.07 1djh s VAL 307 Ca 0.29 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1djh s VAL 307 Cb -0.19 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1djh s VAL 307 CO 0.19 0.51 1.87 -0.55 0.00 0.00 0.00 175.10 177.12 1djh s SER 308 N 0.32 6.15 0.00 3.32 0.15 -0.70 -4.32 113.70 118.62 1djh s SER 308 Ca -0.15 1.98 0.04 0.00 0.70 0.00 0.00 55.95 58.52 1djh s SER 308 Cb -0.17 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1djh s SER 308 CO 0.07 -1.39 -0.13 -0.44 1.20 0.00 0.00 173.24 172.55 1djh s SER 309 N 5.38 1.47 -0.07 5.45 0.01 -1.26 -0.59 113.70 124.09 1djh s SER 309 Ca 0.84 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1djh s SER 309 Cb -0.32 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1djh s SER 309 CO 0.34 0.11 -0.09 -0.55 0.41 0.00 0.00 173.24 173.46 1djh s SER 310 N -0.53 4.42 -0.09 2.44 0.15 0.20 -2.42 113.70 117.86 1djh s SER 310 Ca 0.04 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 1djh s SER 310 Cb -0.06 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 1djh s SER 310 CO -0.00 0.33 0.32 -2.28 1.20 0.00 0.00 173.24 172.82 1djh s HIS 311 N -0.65 3.58 -1.53 3.44 5.04 0.13 -4.08 115.29 121.22 1djh s HIS 311 Ca 0.10 0.75 -0.01 0.00 -1.54 0.00 0.00 55.06 54.35 1djh s HIS 311 Cb -0.11 -2.28 0.00 0.00 0.04 0.00 0.00 32.58 30.23 1djh s HIS 311 CO 0.01 0.45 0.03 0.09 -2.34 0.00 0.00 174.74 172.98 1djh n ASN 312 N 2.72 0.75 -0.62 9.88 3.02 -1.26 -4.61 115.26 125.14 1djh n ASN 312 Ca -0.13 -1.27 0.49 0.00 -0.03 0.00 0.00 54.58 53.63 1djh n ASN 312 Cb 0.52 -1.58 0.77 0.00 -0.61 0.00 0.00 39.78 38.89 1djh n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1djh h THR 313 N -1.81 0.02 0.00 3.41 2.02 -1.76 -0.71 112.91 114.08 1djh h THR 313 Ca -0.66 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1djh h THR 313 Cb 1.39 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1djh h THR 313 CO 0.70 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.69 1djh h TYR 314 N 0.00 0.00 -3.45 3.16 -0.00 -1.86 -3.37 116.97 111.46 1djh h TYR 314 Ca 0.91 0.00 -0.54 0.00 -0.00 0.00 0.00 58.73 59.10 1djh h TYR 314 Cb 3.42 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 40.12 1djh h TYR 314 CO -0.00 0.00 0.21 -0.51 -0.00 0.00 0.00 178.16 177.86 1djh s LEU 315 N -5.58 4.44 0.02 0.10 1.43 -0.28 -1.37 118.68 117.44 1djh s LEU 315 Ca 0.00 1.51 0.15 0.00 -1.03 0.00 0.00 54.13 54.77 1djh s LEU 315 Cb 0.10 -3.32 -0.17 0.00 0.03 0.00 0.00 46.19 42.82 1djh s LEU 315 CO 0.44 -0.04 0.74 0.18 0.23 0.00 0.00 176.35 177.91 1djh n LEU 316 N 2.98 0.84 0.00 1.79 4.77 -0.81 -4.77 117.00 121.80 1djh n LEU 316 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1djh n LEU 316 Cb 0.50 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1djh n LEU 316 CO 0.48 0.24 0.00 -0.62 -1.33 0.00 0.00 177.39 176.16 1djh n GLU 317 N -2.94 0.00 -1.51 3.23 1.02 -1.26 -4.88 120.64 114.30 1djh n GLU 317 Ca -0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 1djh n GLU 317 Cb 0.92 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.49 1djh n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djh s ASP 318 N 1.00 3.19 0.00 1.62 -4.77 -1.26 -4.64 116.67 111.82 1djh s ASP 318 Ca 0.00 0.88 0.28 0.00 -3.30 0.00 0.00 52.55 50.41 1djh s ASP 318 Cb 0.00 -1.38 1.03 0.00 -1.09 0.00 0.00 42.92 41.48 1djh s ASP 318 CO 0.00 -2.74 1.76 0.00 0.70 0.00 0.00 175.17 174.89 1djh n GLN 319 N -3.88 0.23 -0.09 2.11 1.13 -0.11 -3.99 117.38 112.78 1djh n GLN 319 Ca 0.08 -0.07 -0.15 0.00 -1.94 0.00 0.00 57.00 54.92 1djh n GLN 319 Cb 0.59 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.36 1djh n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djh n LEU 320 N -1.32 2.59 0.00 1.08 4.77 -1.26 -4.77 117.00 118.08 1djh n LEU 320 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1djh n LEU 320 Cb 0.32 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1djh n LEU 320 CO 0.28 0.71 0.00 0.35 -1.33 0.00 0.00 177.39 177.40 1djh n THR 321 N -3.24 0.00 -0.87 -5.08 -2.24 -1.26 0.00 114.28 101.59 1djh n THR 321 Ca -0.34 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1djh n THR 321 Cb 0.83 1.56 0.23 0.00 -2.10 0.00 0.00 70.33 70.84 1djh n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djh s GLY 322 N 0.00 1.54 0.66 3.38 0.00 -1.26 -4.43 107.32 107.21 1djh s GLY 322 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 1djh s GLY 322 CO 0.00 0.30 1.05 2.56 0.00 0.00 0.00 173.10 177.01 1djh s PRO 323 N -4.87 3.29 0.15 2.90 0.04 -1.26 -2.04 135.00 133.20 1djh s PRO 323 Ca 0.68 0.68 0.11 0.00 0.04 0.00 0.00 61.00 62.50 1djh s PRO 323 Cb -0.19 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1djh s PRO 323 CO 0.60 -0.78 -0.26 -1.12 0.04 0.00 0.00 177.00 175.48 1djh s SER 324 N -4.19 3.30 -0.06 6.66 0.01 -1.26 -1.93 113.70 116.23 1djh s SER 324 Ca 0.56 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1djh s SER 324 Cb -0.11 -0.22 0.10 0.00 0.21 0.00 0.00 66.02 65.99 1djh s SER 324 CO 0.53 0.15 0.82 -0.55 0.41 0.00 0.00 173.24 174.60 1djh s SER 325 N -2.25 -0.50 0.39 2.44 0.15 -0.47 -4.80 113.70 108.66 1djh s SER 325 Ca 0.16 0.41 0.11 0.00 0.70 0.00 0.00 55.95 57.33 1djh s SER 325 Cb -0.09 0.44 0.78 0.00 -1.71 0.00 0.00 66.02 65.44 1djh s SER 325 CO 0.07 -0.56 1.89 0.71 1.20 0.00 0.00 173.24 176.55 1djh h THR 326 N 2.57 1.20 -0.70 6.45 1.35 -1.95 -1.85 112.91 119.98 1djh h THR 326 Ca -0.24 -0.96 0.16 0.00 -0.55 0.00 0.00 66.41 64.82 1djh h THR 326 Cb 1.18 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 68.98 1djh h THR 326 CO 0.35 0.28 0.48 -0.08 -0.25 0.00 0.00 175.52 176.30 1djh h GLU 327 N 0.11 0.27 -0.45 4.72 4.22 -1.94 0.31 114.58 121.82 1djh h GLU 327 Ca 0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 1djh h GLU 327 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1djh h GLU 327 CO 0.03 0.18 0.08 0.00 -2.18 0.00 0.00 179.01 177.12 1djh h ALA 328 N 1.66 1.31 -0.12 2.92 0.00 -1.62 0.14 119.26 123.56 1djh h ALA 328 Ca 0.34 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1djh h ALA 328 Cb 0.95 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1djh h ALA 328 CO -0.08 0.48 -0.27 1.88 0.00 0.00 0.00 179.25 181.26 1djh h TYR 329 N 0.66 0.50 -0.09 0.00 0.05 -0.53 -2.62 116.97 114.94 1djh h TYR 329 Ca 0.15 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1djh h TYR 329 Cb 0.29 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1djh h TYR 329 CO 0.01 0.89 -0.01 0.82 -1.05 0.00 0.00 178.16 178.82 1djh h ILE 330 N -0.02 0.92 -0.14 -2.88 2.04 -0.86 -0.70 117.51 115.88 1djh h ILE 330 Ca 0.00 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1djh h ILE 330 Cb 0.87 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1djh h ILE 330 CO 0.06 0.00 -0.07 -0.09 0.00 0.00 0.00 178.15 178.05 1djh h ARG 331 N 0.02 -0.06 -0.98 2.37 2.43 -0.76 0.29 114.38 117.69 1djh h ARG 331 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1djh h ARG 331 Cb 0.06 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1djh h ARG 331 CO -0.08 -0.04 0.64 0.00 -1.51 0.00 0.00 179.97 178.97 1djh h ALA 332 N 1.06 1.28 -0.56 2.80 0.00 -1.28 -0.88 119.26 121.69 1djh h ALA 332 Ca 0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1djh h ALA 332 Cb 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1djh h ALA 332 CO -0.18 0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 1djh h LEU 333 N 1.33 1.02 -1.70 0.00 3.38 -0.33 0.30 115.31 119.31 1djh h LEU 333 Ca 0.36 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djh h LEU 333 Cb -0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.34 1djh h LEU 333 CO -0.08 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.56 1djh n LYS 335 N -2.87 3.14 -0.71 0.00 5.02 -0.42 -4.90 118.16 117.42 1djh n LYS 335 Ca -0.00 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1djh n LYS 335 Cb 0.21 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1djh n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djh n GLY 336 N 0.98 0.64 3.74 0.72 0.00 0.44 -5.02 105.19 106.69 1djh n GLY 336 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1djh n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djh n ARG 338 N 2.82 0.95 -3.56 0.00 5.12 -0.14 -4.59 116.66 117.25 1djh n ARG 338 Ca 0.10 0.06 -0.41 0.00 -1.93 0.00 0.00 57.85 55.67 1djh n ARG 338 Cb 0.38 -1.40 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1djh n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djh s LEU 340 N 1.51 3.82 -0.13 0.00 1.43 -0.60 -0.63 118.68 124.08 1djh s LEU 340 Ca 0.03 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1djh s LEU 340 Cb -0.22 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1djh s LEU 340 CO 0.04 0.07 -0.14 -1.61 0.23 0.00 0.00 176.35 174.95 1djh s GLU 341 N -3.07 3.36 -0.17 1.70 2.02 -1.26 -0.96 118.70 120.32 1djh s GLU 341 Ca 0.31 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1djh s GLU 341 Cb -0.10 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1djh s GLU 341 CO 0.23 0.21 -0.18 -0.51 0.02 0.00 0.00 175.26 175.03 1djh s LEU 342 N 0.35 1.99 -0.43 1.80 1.02 -0.02 -3.79 118.68 119.60 1djh s LEU 342 Ca -0.12 -0.60 -0.10 0.00 0.02 0.00 0.00 54.13 53.33 1djh s LEU 342 Cb -0.16 -1.39 0.08 0.00 0.02 0.00 0.00 46.19 44.74 1djh s LEU 342 CO 0.06 -0.02 0.29 -1.81 0.02 0.00 0.00 176.35 174.89 1djh s ASP 343 N 1.35 5.73 -0.19 2.29 1.01 -1.26 -1.22 116.67 124.37 1djh s ASP 343 Ca 0.05 -1.48 -0.10 0.00 0.71 0.00 0.00 52.55 51.72 1djh s ASP 343 Cb -0.13 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1djh s ASP 343 CO -0.12 -0.56 0.15 0.00 0.21 0.00 0.00 175.17 174.84 1djh s TRP 345 N 0.34 0.92 0.40 0.00 0.52 0.26 -0.94 118.94 120.44 1djh s TRP 345 Ca 0.09 -0.68 -0.27 0.00 0.02 0.00 0.00 56.10 55.26 1djh s TRP 345 Cb -0.11 -0.52 -0.10 0.00 -1.15 0.00 0.00 33.47 31.59 1djh s TRP 345 CO -0.01 -0.06 1.42 -0.51 0.02 0.00 0.00 176.95 177.81 1djh s ASP 346 N -2.36 6.26 0.33 2.95 1.11 -1.26 0.58 116.67 124.28 1djh s ASP 346 Ca 0.03 2.91 0.04 0.00 0.18 0.00 0.00 52.55 55.70 1djh s ASP 346 Cb -0.03 -2.66 -0.06 0.00 1.07 0.00 0.00 42.92 41.24 1djh s ASP 346 CO -0.01 -0.91 0.06 -0.83 1.18 0.00 0.00 175.17 174.66 1djh s GLY 347 N -0.38 2.11 0.85 0.21 0.00 -1.05 -4.56 107.32 104.49 1djh s GLY 347 Ca 0.55 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1djh s GLY 347 CO 0.58 -1.82 1.15 2.56 0.00 0.00 0.00 173.10 175.57 1djh s PRO 348 N -3.88 1.47 -1.84 2.90 0.04 -1.26 -2.73 135.00 129.69 1djh s PRO 348 Ca 0.36 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1djh s PRO 348 Cb 0.08 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1djh s PRO 348 CO 0.15 -2.30 0.00 0.09 0.04 0.00 0.00 177.00 174.98 1djh n ASN 349 N -3.77 -5.45 -3.25 6.66 3.02 -1.26 -2.18 115.26 109.02 1djh n ASN 349 Ca 0.12 0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.65 1djh n ASN 349 Cb 0.52 -4.57 0.02 0.00 -0.61 0.00 0.00 39.78 35.14 1djh n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djh n GLN 350 N -2.67 -4.32 -3.99 3.52 1.13 -1.11 -4.94 117.38 105.01 1djh n GLN 350 Ca -0.21 0.68 -0.34 0.00 -1.94 0.00 0.00 57.00 55.19 1djh n GLN 350 Cb 0.66 -5.48 -0.15 0.00 0.11 0.00 0.00 30.24 25.38 1djh n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1djh s GLU 351 N -5.92 2.63 0.58 -1.09 0.41 -0.93 -4.92 118.70 109.46 1djh s GLU 351 Ca 0.38 -1.10 -0.20 0.00 -0.41 0.00 0.00 54.97 53.64 1djh s GLU 351 Cb -0.19 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 1djh s GLU 351 CO 0.47 -0.46 1.29 -2.14 -0.49 0.00 0.00 175.26 173.92 1djh s PRO 352 N 1.26 2.96 0.37 0.39 0.02 -1.26 -2.53 135.00 136.20 1djh s PRO 352 Ca -0.03 2.04 0.06 0.00 0.02 0.00 0.00 61.00 63.10 1djh s PRO 352 Cb -0.18 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.22 1djh s PRO 352 CO -0.05 -1.28 0.01 0.96 -0.33 0.00 0.00 177.00 176.31 1djh s ILE 353 N -1.42 1.75 -0.04 2.83 -4.36 0.20 -1.75 121.20 118.40 1djh s ILE 353 Ca 0.76 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 59.16 1djh s ILE 353 Cb -0.36 -2.85 -0.00 0.00 1.25 0.00 0.00 42.46 40.49 1djh s ILE 353 CO 0.40 -0.05 -0.16 -0.63 0.24 0.00 0.00 174.94 174.75 1djh s ILE 354 N -2.90 1.34 -0.05 8.37 1.01 0.18 -0.57 121.20 128.58 1djh s ILE 354 Ca 0.35 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 1djh s ILE 354 Cb 0.08 -1.16 0.12 0.00 0.01 0.00 0.00 42.46 41.51 1djh s ILE 354 CO 0.17 0.39 1.34 -0.72 0.00 0.00 0.00 174.94 176.12 1djh s TYR 355 N 0.10 -0.01 -0.50 3.97 1.13 -1.10 -1.37 117.35 119.58 1djh s TYR 355 Ca -0.05 -0.06 -0.26 0.00 -1.41 0.00 0.00 57.07 55.30 1djh s TYR 355 Cb -0.11 0.53 0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1djh s TYR 355 CO 0.02 -0.17 0.98 -1.58 -2.51 0.00 0.00 175.55 172.30 1djh s HIS 356 N -2.16 2.85 0.18 -3.49 5.65 -1.26 -4.65 115.29 112.41 1djh s HIS 356 Ca 0.20 0.34 -0.33 0.00 0.25 0.00 0.00 55.06 55.53 1djh s HIS 356 Cb 0.04 -4.11 -0.15 0.00 -1.18 0.00 0.00 32.58 27.18 1djh s HIS 356 CO -0.04 -1.23 1.20 0.41 -0.65 0.00 0.00 174.74 174.44 1djh n GLY 357 N 4.98 0.17 2.28 1.59 0.00 -1.26 -2.27 105.19 110.67 1djh n GLY 357 Ca 0.06 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 1djh n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djh n TYR 358 N 1.59 -0.36 -4.13 1.61 4.01 -1.26 -4.99 117.16 113.62 1djh n TYR 358 Ca 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1djh n TYR 358 Cb 0.25 -2.54 -0.02 0.00 -0.31 0.00 0.00 39.34 36.72 1djh n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1djh n THR 359 N -3.51 0.00 -0.53 -0.72 -2.24 -0.96 -5.05 114.28 101.27 1djh n THR 359 Ca -0.14 -0.78 0.07 0.00 -2.27 0.00 0.00 64.05 60.94 1djh n THR 359 Cb 0.53 0.33 0.21 0.00 -2.10 0.00 0.00 70.33 69.31 1djh n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djh n PHE 360 N -0.25 0.75 -1.75 4.78 3.72 0.10 -4.95 117.46 119.86 1djh n PHE 360 Ca 0.00 -0.65 -0.41 0.00 -0.05 0.00 0.00 57.45 56.34 1djh n PHE 360 Cb 0.20 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1djh n PHE 360 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1djh n THR 361 N 0.19 2.20 -0.52 4.37 -2.24 -1.03 -4.63 114.28 112.62 1djh n THR 361 Ca 0.17 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 1djh n THR 361 Cb 0.65 -1.83 0.24 0.00 -2.10 0.00 0.00 70.33 67.29 1djh n THR 361 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1djh n SER 362 N 0.37 -1.72 -4.39 3.42 3.41 -0.87 -4.68 113.62 109.16 1djh n SER 362 Ca 0.03 -0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 1djh n SER 362 Cb 0.39 -1.23 -0.13 0.00 -0.26 0.00 0.00 64.21 62.98 1djh n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1djh s LYS 363 N -4.27 1.41 0.15 4.33 1.02 -1.26 -4.26 119.74 116.86 1djh s LYS 363 Ca 0.67 -1.35 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 1djh s LYS 363 Cb -0.23 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1djh s LYS 363 CO 0.65 0.45 0.04 0.96 -0.92 0.00 0.00 175.35 176.53 1djh s ILE 364 N -1.07 0.27 0.13 2.17 -4.36 -0.47 -4.95 121.20 112.92 1djh s ILE 364 Ca 0.14 -1.93 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1djh s ILE 364 Cb -0.10 -2.08 -0.07 0.00 1.25 0.00 0.00 42.46 41.46 1djh s ILE 364 CO 0.06 -0.45 0.86 -0.76 0.24 0.00 0.00 174.94 174.89 1djh s LEU 365 N -3.09 4.54 0.24 0.37 1.43 -1.26 0.51 118.68 121.42 1djh s LEU 365 Ca 0.25 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1djh s LEU 365 Cb 0.07 -3.43 0.34 0.00 0.03 0.00 0.00 46.19 43.20 1djh s LEU 365 CO 0.03 0.07 1.83 0.15 0.23 0.00 0.00 176.35 178.65 1djh h PHE 366 N 5.02 0.88 -0.04 0.29 3.57 -1.62 -0.78 116.94 124.26 1djh h PHE 366 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1djh h PHE 366 Cb 1.21 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1djh h PHE 366 CO 0.64 0.41 0.01 0.00 -2.23 0.00 0.00 178.31 177.14 1djh h ASP 368 N -0.15 0.87 -0.07 0.00 3.32 -1.85 -0.91 116.42 117.63 1djh h ASP 368 Ca 0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1djh h ASP 368 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1djh h ASP 368 CO 0.00 0.51 0.04 0.58 -1.72 0.00 0.00 179.24 178.65 1djh h VAL 369 N 0.96 1.07 -0.91 -1.35 2.07 -0.71 -2.80 116.25 114.58 1djh h VAL 369 Ca 0.43 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.85 1djh h VAL 369 Cb 0.38 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1djh h VAL 369 CO -0.19 0.06 0.59 -0.07 0.02 0.00 0.00 177.57 177.97 1djh h LEU 370 N 0.03 0.86 -0.04 2.57 3.38 0.11 -1.48 115.31 120.74 1djh h LEU 370 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djh h LEU 370 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1djh h LEU 370 CO -0.00 0.52 0.03 0.03 0.09 0.00 0.00 178.44 179.11 1djh h ARG 371 N 0.95 0.06 -0.38 1.13 3.08 -1.11 0.44 114.38 118.55 1djh h ARG 371 Ca 0.41 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.50 1djh h ARG 371 Cb 0.32 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1djh h ARG 371 CO -0.17 0.05 0.15 0.00 -1.07 0.00 0.00 179.97 178.93 1djh h ALA 372 N 1.00 0.45 -0.46 0.04 0.00 -1.16 0.18 119.26 119.31 1djh h ALA 372 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1djh h ALA 372 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1djh h ALA 372 CO -0.00 -0.24 0.30 0.82 0.00 0.00 0.00 179.25 180.13 1djh h ILE 373 N 0.31 1.11 -0.45 0.00 2.04 -1.00 -1.66 117.51 117.86 1djh h ILE 373 Ca 0.17 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1djh h ILE 373 Cb 0.14 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1djh h ILE 373 CO -0.16 0.11 0.21 -0.09 0.00 0.00 0.00 178.15 178.22 1djh h ARG 374 N 0.62 0.41 0.00 2.37 2.43 0.20 0.33 114.38 120.73 1djh h ARG 374 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1djh h ARG 374 Cb -0.06 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1djh h ARG 374 CO -0.05 0.27 0.00 -0.44 -1.51 0.00 0.00 179.97 178.24 1djh h ASP 375 N 0.42 0.00 0.00 -3.80 3.32 -0.12 -3.33 116.42 112.91 1djh h ASP 375 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1djh h ASP 375 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1djh h ASP 375 CO -0.16 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.14 1djh n TYR 376 N -2.84 0.00 -0.34 4.55 4.02 -0.67 -4.79 117.16 117.08 1djh n TYR 376 Ca 0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.09 1djh n TYR 376 Cb 0.28 0.00 0.41 0.00 -0.02 0.00 0.00 39.34 40.01 1djh n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djh h ALA 377 N 0.00 1.85 -0.09 -0.72 0.00 -0.50 -2.56 119.26 117.23 1djh h ALA 377 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1djh h ALA 377 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1djh h ALA 377 CO 0.00 -0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.09 1djh n PHE 378 N -4.90 0.32 0.09 0.00 3.72 -1.26 -4.60 117.46 110.83 1djh n PHE 378 Ca 0.28 -0.93 0.01 0.00 -0.05 0.00 0.00 57.45 56.77 1djh n PHE 378 Cb 0.80 -0.20 0.36 0.00 -0.94 0.00 0.00 39.48 39.50 1djh n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djh h LYS 379 N 0.65 0.31 0.00 -1.08 3.64 -1.76 -3.19 116.57 115.14 1djh h LYS 379 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1djh h LYS 379 Cb 1.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1djh h LYS 379 CO 0.07 0.44 -0.86 0.00 -2.27 0.00 0.00 179.45 176.83 1djh n ALA 380 N -2.49 3.48 -3.52 5.00 0.00 -1.26 -5.01 120.51 116.71 1djh n ALA 380 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1djh n ALA 380 Cb 0.28 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1djh n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djh s SER 381 N -2.56 -0.56 0.02 0.00 0.15 -1.20 -4.64 113.70 104.90 1djh s SER 381 Ca 0.03 0.52 0.23 0.00 0.70 0.00 0.00 55.95 57.43 1djh s SER 381 Cb 0.10 0.48 0.11 0.00 -1.71 0.00 0.00 66.02 65.00 1djh s SER 381 CO 0.56 -0.58 1.11 -0.81 1.20 0.00 0.00 173.24 174.71 1djh n PRO 382 N 0.66 0.11 -2.18 5.44 -0.04 -1.26 -4.11 135.00 133.61 1djh n PRO 382 Ca -0.16 -0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 1djh n PRO 382 Cb 0.58 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1djh n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djh s TYR 383 N -3.07 2.83 0.30 0.54 2.02 -1.26 -0.34 117.35 118.36 1djh s TYR 383 Ca 0.07 1.54 -0.28 0.00 -0.37 0.00 0.00 57.07 58.04 1djh s TYR 383 Cb 0.16 -3.14 -0.14 0.00 -0.40 0.00 0.00 41.96 38.45 1djh s TYR 383 CO 0.79 -1.28 1.02 -0.35 -1.57 0.00 0.00 175.55 174.16 1djh n PRO 384 N -1.61 1.39 -3.96 -1.71 -0.04 -1.24 -4.66 135.00 123.17 1djh n PRO 384 Ca 0.10 0.49 -0.35 0.00 -0.04 0.00 0.00 63.50 63.70 1djh n PRO 384 Cb 0.52 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 1djh n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djh s VAL 385 N -1.07 5.03 -0.16 0.52 1.01 -0.68 -4.84 120.40 120.21 1djh s VAL 385 Ca 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 1djh s VAL 385 Cb -0.69 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1djh s VAL 385 CO 0.60 0.51 -0.04 -0.63 0.00 0.00 0.00 175.10 175.54 1djh s ILE 386 N -0.10 3.75 -0.26 2.22 1.01 -0.35 0.04 121.20 127.51 1djh s ILE 386 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 1djh s ILE 386 Cb -0.12 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1djh s ILE 386 CO 0.01 0.48 0.08 -0.76 0.00 0.00 0.00 174.94 174.75 1djh s LEU 387 N 0.56 3.52 -0.28 2.97 1.43 0.43 -1.55 118.68 125.75 1djh s LEU 387 Ca -0.03 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1djh s LEU 387 Cb -0.14 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1djh s LEU 387 CO 0.03 -0.06 0.71 -0.44 0.23 0.00 0.00 176.35 176.81 1djh s SER 388 N 1.61 6.61 -0.23 2.29 0.01 -0.13 -0.18 113.70 123.68 1djh s SER 388 Ca 0.06 0.65 -0.08 0.00 1.31 0.00 0.00 55.95 57.89 1djh s SER 388 Cb -0.15 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1djh s SER 388 CO 0.04 -0.50 0.09 -0.76 0.41 0.00 0.00 173.24 172.52 1djh s LEU 389 N 2.72 3.71 -0.39 2.44 1.43 0.19 -0.84 118.68 127.95 1djh s LEU 389 Ca 0.29 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1djh s LEU 389 Cb -0.15 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.16 1djh s LEU 389 CO 0.11 0.04 0.20 -0.70 0.23 0.00 0.00 176.35 176.23 1djh s GLU 390 N 1.15 2.56 -0.31 1.70 2.12 -0.36 -4.57 118.70 120.99 1djh s GLU 390 Ca 0.05 -1.39 -0.12 0.00 0.36 0.00 0.00 54.97 53.88 1djh s GLU 390 Cb -0.14 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1djh s GLU 390 CO 0.04 -0.86 0.21 1.21 -0.54 0.00 0.00 175.26 175.32 1djh s ASN 391 N 1.83 6.00 -0.08 -1.70 2.47 -1.26 -0.41 114.94 121.77 1djh s ASN 391 Ca 0.02 -0.23 0.12 0.00 0.42 0.00 0.00 52.86 53.19 1djh s ASN 391 Cb -0.22 -2.12 0.19 0.00 -1.45 0.00 0.00 41.25 37.65 1djh s ASN 391 CO 0.02 -0.14 1.08 1.41 -3.72 0.00 0.00 177.10 175.74 1djh n HIS 392 N 5.07 0.00 -2.63 0.43 8.25 -0.11 -5.00 115.22 121.23 1djh n HIS 392 Ca -0.13 -0.71 -0.31 0.00 -0.26 0.00 0.00 57.72 56.31 1djh n HIS 392 Cb 0.51 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 1djh n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djh s SER 394 N -3.27 3.25 0.17 0.00 1.04 -1.26 -4.68 113.70 108.95 1djh s SER 394 Ca 0.54 1.52 -0.14 0.00 0.48 0.00 0.00 55.95 58.34 1djh s SER 394 Cb -0.10 -2.19 0.12 0.00 0.10 0.00 0.00 66.02 63.95 1djh s SER 394 CO 0.34 -2.78 1.74 -0.07 0.98 0.00 0.00 173.24 173.45 1djh h LEU 395 N -1.65 0.12 0.33 2.42 3.38 -1.93 0.23 115.31 118.21 1djh h LEU 395 Ca -0.50 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1djh h LEU 395 Cb 1.29 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1djh h LEU 395 CO 0.54 0.10 -0.19 -0.08 0.09 0.00 0.00 178.44 178.90 1djh h GLU 396 N 0.29 -0.47 0.00 1.13 4.57 -2.00 -1.33 114.58 116.77 1djh h GLU 396 Ca 0.21 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1djh h GLU 396 Cb 0.22 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1djh h GLU 396 CO -0.23 -0.32 -0.15 1.96 -1.18 0.00 0.00 179.01 179.09 1djh h GLN 397 N -0.49 0.00 -0.87 1.92 4.20 -1.80 0.19 115.11 118.26 1djh h GLN 397 Ca -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1djh h GLN 397 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1djh h GLN 397 CO 0.05 0.15 0.43 1.96 -0.67 0.00 0.00 178.83 180.75 1djh h GLN 398 N 0.00 1.24 -0.69 1.46 4.20 -0.13 0.03 115.11 121.22 1djh h GLN 398 Ca -0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1djh h GLN 398 Cb 0.30 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1djh h GLN 398 CO 0.02 0.94 0.43 0.00 -0.67 0.00 0.00 178.83 179.54 1djh h ARG 399 N 1.23 0.93 -0.65 1.46 3.08 0.49 -1.32 114.38 119.61 1djh h ARG 399 Ca 0.30 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1djh h ARG 399 Cb 0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1djh h ARG 399 CO -0.04 0.65 0.29 0.28 -1.07 0.00 0.00 179.97 180.09 1djh h VAL 400 N 0.94 1.21 0.21 2.04 2.07 -0.23 -1.64 116.25 120.86 1djh h VAL 400 Ca 0.25 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1djh h VAL 400 Cb -0.05 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1djh h VAL 400 CO -0.05 0.26 -0.10 0.24 0.02 0.00 0.00 177.57 177.94 1djh h MET 401 N 0.92 -0.27 -0.88 1.57 2.86 0.02 -1.08 114.93 118.08 1djh h MET 401 Ca 0.22 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.99 1djh h MET 401 Cb 0.12 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 1djh h MET 401 CO -0.03 -0.17 0.51 0.00 1.06 0.00 0.00 176.91 178.29 1djh h ALA 402 N 0.50 1.28 -0.45 6.32 0.00 -0.95 0.10 119.26 126.06 1djh h ALA 402 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1djh h ALA 402 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1djh h ALA 402 CO 0.05 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.69 1djh h ARG 403 N 0.82 0.56 -0.35 0.00 3.08 -0.67 -1.16 114.38 116.66 1djh h ARG 403 Ca 0.43 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1djh h ARG 403 Cb 0.44 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1djh h ARG 403 CO -0.27 0.37 0.14 0.45 -1.07 0.00 0.00 179.97 179.59 1djh h HIS 404 N 0.58 0.54 -0.23 3.04 3.86 -0.07 0.11 115.15 122.98 1djh h HIS 404 Ca 0.17 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1djh h HIS 404 Cb -0.03 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.23 1djh h HIS 404 CO -0.06 0.50 -0.09 -0.07 0.86 0.00 0.00 177.93 179.07 1djh h LEU 405 N 0.43 -0.31 -0.04 2.43 3.38 -0.44 0.37 115.31 121.12 1djh h LEU 405 Ca 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1djh h LEU 405 Cb 0.18 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1djh h LEU 405 CO -0.01 -0.12 0.00 0.03 0.09 0.00 0.00 178.44 178.44 1djh h ARG 406 N -0.05 0.07 -0.59 1.13 3.08 -1.05 -0.99 114.38 115.98 1djh h ARG 406 Ca 0.12 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1djh h ARG 406 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1djh h ARG 406 CO -0.26 0.33 0.01 0.00 -1.07 0.00 0.00 179.97 178.98 1djh h ALA 407 N 0.74 0.91 0.00 0.04 0.00 -0.49 -2.06 119.26 118.39 1djh h ALA 407 Ca 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1djh h ALA 407 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1djh h ALA 407 CO 0.00 0.65 -0.73 0.82 0.00 0.00 0.00 179.25 180.00 1djh h ILE 408 N 0.93 1.25 -0.01 0.00 2.04 -0.27 -3.37 117.51 118.09 1djh h ILE 408 Ca 0.17 -2.22 -0.10 0.00 1.00 0.00 0.00 64.86 63.71 1djh h ILE 408 Cb 0.52 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1djh h ILE 408 CO 0.03 0.42 -0.47 -0.07 0.00 0.00 0.00 178.15 178.06 1djh h LEU 409 N -1.00 0.02 0.00 1.44 4.07 -1.31 -3.48 115.31 115.05 1djh h LEU 409 Ca -0.20 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1djh h LEU 409 Cb 1.16 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1djh h LEU 409 CO -0.12 0.48 0.00 0.61 -1.08 0.00 0.00 178.44 178.33 1djh n GLY 410 N -0.17 3.33 0.00 0.83 0.00 -0.78 -1.83 105.19 106.57 1djh n GLY 410 Ca -0.02 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1djh n GLY 410 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1djh n PRO 411 N 14.00 0.02 0.13 1.61 -0.04 -1.26 -2.57 135.00 146.89 1djh n PRO 411 Ca 0.00 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1djh n PRO 411 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1djh n PRO 411 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1djh h ILE 412 N 0.00 1.41 -3.06 0.52 2.04 -1.66 -3.44 117.51 113.33 1djh h ILE 412 Ca 0.00 -1.99 -0.53 0.00 1.00 0.00 0.00 64.86 63.34 1djh h ILE 412 Cb 0.30 2.06 0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1djh h ILE 412 CO 0.00 0.57 0.78 -0.22 0.00 0.00 0.00 178.15 179.28 1djh s LEU 413 N -7.73 4.38 -0.38 1.44 2.96 -1.06 -1.28 118.68 117.00 1djh s LEU 413 Ca -0.02 2.50 -0.22 0.00 -0.22 0.00 0.00 54.13 56.17 1djh s LEU 413 Cb 0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.23 1djh s LEU 413 CO 0.76 -0.71 0.69 -0.22 -1.32 0.00 0.00 176.35 175.56 1djh s LEU 414 N 0.70 4.26 -0.02 -0.68 2.96 -0.49 -4.87 118.68 120.53 1djh s LEU 414 Ca 0.64 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1djh s LEU 414 Cb -0.40 -2.86 0.09 0.00 0.50 0.00 0.00 46.19 43.52 1djh s LEU 414 CO 0.34 -0.70 1.06 -0.90 -1.32 0.00 0.00 176.35 174.83 1djh n ASP 415 N 6.27 2.21 -3.63 3.68 5.68 -1.26 -4.69 116.55 124.81 1djh n ASP 415 Ca 0.00 -2.18 -0.13 0.00 -0.50 0.00 0.00 54.79 51.98 1djh n ASP 415 Cb 0.48 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 1djh n ASP 415 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1djh s GLN 416 N -1.31 0.80 0.85 0.11 0.74 -1.26 -4.80 119.66 114.80 1djh s GLN 416 Ca 0.08 0.99 -0.16 0.00 0.05 0.00 0.00 55.36 56.32 1djh s GLN 416 Cb 0.06 0.38 -0.07 0.00 1.10 0.00 0.00 33.01 34.48 1djh s GLN 416 CO 0.03 -0.10 -0.07 -0.35 -0.55 0.00 0.00 175.29 174.24 1djh n PRO 417 N 2.78 -0.00 -3.31 1.67 -0.05 -1.26 -4.96 135.00 129.87 1djh n PRO 417 Ca -0.14 0.02 -0.25 0.00 -0.05 0.00 0.00 63.50 63.08 1djh n PRO 417 Cb 0.55 -1.42 -0.01 0.00 -0.05 0.00 0.00 33.50 32.57 1djh n PRO 417 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1djh s LEU 418 N 3.23 3.99 -0.03 1.53 1.43 -1.26 -5.04 118.68 122.52 1djh s LEU 418 Ca 0.53 0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 1djh s LEU 418 Cb -0.27 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1djh s LEU 418 CO 0.71 -0.30 0.97 -0.62 0.23 0.00 0.00 176.35 177.33 1djh s ASP 419 N -3.91 7.31 0.00 2.29 2.15 -1.26 -3.37 116.67 119.87 1djh s ASP 419 Ca 0.41 1.59 0.00 0.00 0.43 0.00 0.00 52.55 54.98 1djh s ASP 419 Cb -0.10 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1djh s ASP 419 CO 0.36 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1djh n GLY 420 N 2.97 2.74 3.57 2.66 0.00 -1.26 -5.03 105.19 110.84 1djh n GLY 420 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1djh n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djh s VAL 421 N -2.72 5.05 0.00 1.61 1.01 -1.22 -4.81 120.40 119.32 1djh s VAL 421 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1djh s VAL 421 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1djh s VAL 421 CO 0.00 -0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.33 1djh n THR 422 N 5.34 0.00 0.30 3.92 -2.24 -1.26 -4.80 114.28 115.55 1djh n THR 422 Ca -0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1djh n THR 422 Cb 0.49 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1djh n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djh n THR 423 N -0.77 0.25 -3.86 4.28 -2.24 -1.26 -5.04 114.28 105.64 1djh n THR 423 Ca 0.00 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 61.08 1djh n THR 423 Cb 0.00 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1djh n THR 423 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1djh s SER 424 N -0.95 -0.23 0.58 3.42 0.01 -1.26 -4.97 113.70 110.30 1djh s SER 424 Ca 0.16 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.57 1djh s SER 424 Cb 0.10 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1djh s SER 424 CO 0.15 -1.37 1.11 -0.76 0.41 0.00 0.00 173.24 172.77 1djh s LEU 425 N -2.94 3.61 1.20 2.44 1.43 -1.26 -4.92 118.68 118.25 1djh s LEU 425 Ca 0.12 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 55.16 1djh s LEU 425 Cb -0.06 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 41.90 1djh s LEU 425 CO 0.08 -1.33 1.01 -2.84 0.23 0.00 0.00 176.35 173.50 1djh s PRO 426 N -3.61 -1.24 0.32 1.29 0.02 -1.26 -4.21 135.00 126.31 1djh s PRO 426 Ca 0.70 0.79 0.07 0.00 0.02 0.00 0.00 61.00 62.57 1djh s PRO 426 Cb -0.22 -1.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 1djh s PRO 426 CO 0.32 -3.92 0.41 -1.54 -0.33 0.00 0.00 177.00 171.93 1djh s SER 427 N -2.47 5.80 0.36 2.53 1.04 -1.24 -0.52 113.70 119.19 1djh s SER 427 Ca 0.69 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1djh s SER 427 Cb -0.25 -1.22 0.66 0.00 0.10 0.00 0.00 66.02 65.31 1djh s SER 427 CO 0.65 -0.37 2.01 -0.65 0.98 0.00 0.00 173.24 175.86 1djh h PRO 428 N 1.03 0.78 -0.57 4.02 0.11 -1.65 -1.62 132.00 134.10 1djh h PRO 428 Ca -0.46 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1djh h PRO 428 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1djh h PRO 428 CO 0.55 0.53 0.10 0.93 -0.21 0.00 0.00 178.00 179.90 1djh h GLU 429 N 0.80 0.94 0.00 1.05 4.39 -1.65 -1.29 114.58 118.81 1djh h GLU 429 Ca 0.21 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1djh h GLU 429 Cb -0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1djh h GLU 429 CO -0.04 0.89 -0.27 1.96 -1.16 0.00 0.00 179.01 180.39 1djh h GLN 430 N 0.83 0.00 -0.70 2.33 4.20 -1.61 -2.62 115.11 117.55 1djh h GLN 430 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1djh h GLN 430 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1djh h GLN 430 CO 0.01 0.27 0.00 1.28 -0.67 0.00 0.00 178.83 179.72 1djh n LEU 431 N -4.17 4.52 -4.66 1.46 4.77 -0.69 -4.95 117.00 113.27 1djh n LEU 431 Ca -0.02 -2.28 -0.46 0.00 -0.03 0.00 0.00 56.01 53.22 1djh n LEU 431 Cb 0.32 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1djh n LEU 431 CO 0.37 0.89 1.11 1.17 -1.33 0.00 0.00 177.39 179.60 1djh n LYS 432 N 1.36 2.04 -1.02 3.23 4.81 -0.52 -1.37 118.16 126.69 1djh n LYS 432 Ca 0.26 0.73 -0.01 0.00 -0.87 0.00 0.00 58.31 58.42 1djh n LYS 432 Cb 0.80 -2.45 -0.00 0.00 0.02 0.00 0.00 35.03 33.40 1djh n LYS 432 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1djh n GLY 433 N 2.92 0.44 3.66 3.14 0.00 0.54 -4.91 105.19 110.98 1djh n GLY 433 Ca 0.15 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1djh n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djh s LYS 434 N -0.74 2.38 -0.14 1.61 -0.14 -0.47 -4.76 119.74 117.47 1djh s LYS 434 Ca 0.00 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 1djh s LYS 434 Cb 0.00 -2.33 -0.01 0.00 -1.68 0.00 0.00 37.83 33.81 1djh s LYS 434 CO 0.00 0.45 -0.15 0.42 -0.76 0.00 0.00 175.35 175.31 1djh s ILE 435 N -1.78 2.81 0.02 2.17 1.01 -0.41 -1.69 121.20 123.34 1djh s ILE 435 Ca 0.28 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1djh s ILE 435 Cb -0.09 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1djh s ILE 435 CO 0.18 0.52 -0.21 -1.48 0.00 0.00 0.00 174.94 173.95 1djh s LEU 436 N 0.57 2.12 0.16 2.97 2.34 0.11 -1.40 118.68 125.54 1djh s LEU 436 Ca -0.09 -0.47 -0.15 0.00 0.06 0.00 0.00 54.13 53.48 1djh s LEU 436 Cb -0.16 -1.03 -0.07 0.00 -0.56 0.00 0.00 46.19 44.37 1djh s LEU 436 CO 0.03 0.20 0.58 -0.76 -1.06 0.00 0.00 176.35 175.35 1djh s LEU 437 N -0.91 4.34 -0.10 1.48 1.43 -1.26 -0.43 118.68 123.23 1djh s LEU 437 Ca 0.08 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 1djh s LEU 437 Cb -0.09 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.83 1djh s LEU 437 CO 0.01 0.09 -0.19 -0.75 0.23 0.00 0.00 176.35 175.74 1djh s LYS 438 N -1.93 2.58 0.00 1.70 2.36 0.74 -4.21 119.74 120.98 1djh s LYS 438 Ca 0.38 -0.71 0.00 0.00 -2.55 0.00 0.00 55.97 53.10 1djh s LYS 438 Cb -0.15 -2.05 0.00 0.00 -1.05 0.00 0.00 37.83 34.58 1djh s LYS 438 CO 0.19 0.06 0.00 0.41 1.55 0.00 0.00 175.35 177.56 1djh n GLY 439 N 3.83 -1.22 3.75 5.54 0.00 -0.91 -0.64 105.19 115.54 1djh n GLY 439 Ca -0.20 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1djh n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djh s LYS 440 N -0.73 4.73 0.02 1.61 1.02 -1.26 0.14 119.74 125.28 1djh s LYS 440 Ca 0.00 1.67 0.08 0.00 0.02 0.00 0.00 55.97 57.74 1djh s LYS 440 Cb 0.00 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1djh s LYS 440 CO 0.00 0.34 -0.23 0.21 -0.92 0.00 0.00 175.35 174.75 1djh s LYS 441 N -1.31 1.68 0.21 1.68 2.20 -1.26 -4.70 119.74 118.24 1djh s LYS 441 Ca 0.43 -0.96 -0.32 0.00 -0.36 0.00 0.00 55.97 54.76 1djh s LYS 441 Cb -0.29 -1.76 -0.12 0.00 -1.51 0.00 0.00 37.83 34.15 1djh s LYS 441 CO 0.37 0.46 1.72 1.28 -0.36 0.00 0.00 175.35 178.83 1djh n LEU 442 N 2.04 3.99 -4.43 5.43 4.77 -1.26 -4.87 117.00 122.68 1djh n LEU 442 Ca -0.17 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.45 1djh n LEU 442 Cb 0.52 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1djh n LEU 442 CO 0.23 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 177.09 1djh n GLY 443 N 3.97 -1.65 0.00 -0.72 0.00 -1.26 -5.02 105.19 100.51 1djh n GLY 443 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1djh n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djh n GLY 444 N 1.86 0.90 2.27 -0.02 0.00 -1.26 -5.16 105.19 103.79 1djh n GLY 444 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1djh n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djh n LEU 445 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.30 117.00 116.19 1djh n LEU 445 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1djh n LEU 445 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1djh n LEU 445 CO 0.00 -0.25 0.00 -0.67 -1.33 0.00 0.00 177.39 175.14 1djh n ASP 484 N 2.33 0.00 0.23 -1.43 2.03 -1.26 -5.35 116.55 113.10 1djh n ASP 484 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1djh n ASP 484 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 1djh n ASP 484 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1djh h LYS 485 N 0.00 0.00 -0.07 -0.67 2.10 -2.02 0.17 116.57 116.08 1djh h LYS 485 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1djh h LYS 485 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1djh h LYS 485 CO 0.00 0.18 0.00 1.28 -2.00 0.00 0.00 179.45 178.91 1djh n LEU 486 N -4.12 0.85 -0.07 7.07 4.32 -1.26 -4.02 117.00 119.77 1djh n LEU 486 Ca -0.02 -0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 55.50 1djh n LEU 486 Cb 0.25 -0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1djh n LEU 486 CO 0.35 0.17 -0.96 0.29 -1.22 0.00 0.00 177.39 176.02 1djh n LYS 487 N -0.25 0.29 -4.47 3.23 5.02 0.42 -4.96 118.16 117.44 1djh n LYS 487 Ca 0.17 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.25 1djh n LYS 487 Cb 0.21 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 34.02 1djh n LYS 487 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1djh s LEU 488 N -6.54 2.11 0.48 -0.35 0.20 -0.19 -4.80 118.68 109.58 1djh s LEU 488 Ca -0.19 -0.62 -0.22 0.00 0.69 0.00 0.00 54.13 53.80 1djh s LEU 488 Cb 0.07 -1.45 -0.07 0.00 -0.43 0.00 0.00 46.19 44.30 1djh s LEU 488 CO 0.25 0.05 1.11 0.68 -0.29 0.00 0.00 176.35 178.15 1djh s VAL 489 N 0.99 3.37 0.21 1.68 -7.23 -1.26 -4.70 120.40 113.45 1djh s VAL 489 Ca -0.03 0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 61.00 1djh s VAL 489 Cb -0.15 -3.44 0.14 0.00 0.56 0.00 0.00 36.38 33.50 1djh s VAL 489 CO -0.06 -0.09 1.78 -0.65 -0.31 0.00 0.00 175.10 175.77 1djh h PRO 490 N 1.80 1.13 -1.16 4.82 0.11 -1.97 -1.01 132.00 135.73 1djh h PRO 490 Ca -0.49 -0.19 0.35 0.00 0.11 0.00 0.00 66.00 65.77 1djh h PRO 490 Cb 1.24 -0.19 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 1djh h PRO 490 CO 0.59 0.91 0.73 0.93 -0.21 0.00 0.00 178.00 180.96 1djh h GLU 491 N 1.10 0.24 0.01 1.05 3.07 -1.97 0.60 114.58 118.67 1djh h GLU 491 Ca 0.26 -0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.76 1djh h GLU 491 Cb 0.19 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 1djh h GLU 491 CO -0.02 0.16 -1.92 1.28 -1.40 0.00 0.00 179.01 177.11 1djh n LEU 492 N -4.73 2.04 -0.23 1.33 4.77 -1.00 -4.21 117.00 114.98 1djh n LEU 492 Ca 0.32 0.33 0.18 0.00 -0.03 0.00 0.00 56.01 56.81 1djh n LEU 492 Cb 1.14 -0.92 0.51 0.00 -2.33 0.00 0.00 43.42 41.82 1djh n LEU 492 CO 0.21 0.49 1.22 -1.28 -1.33 0.00 0.00 177.39 176.70 1djh h SER 493 N -0.84 0.41 0.79 -1.43 0.87 -0.50 0.10 113.55 112.95 1djh h SER 493 Ca -0.51 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1djh h SER 493 Cb 1.53 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1djh h SER 493 CO -0.26 0.17 0.00 0.47 -0.53 0.00 0.00 176.83 176.68 1djh n ASP 494 N -4.50 0.66 0.04 6.23 8.00 0.20 -2.72 116.55 124.46 1djh n ASP 494 Ca 0.18 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.46 1djh n ASP 494 Cb 0.67 -0.80 0.17 0.00 -0.02 0.00 0.00 41.12 41.14 1djh n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1djh n MET 495 N -2.22 0.23 -2.70 -1.24 2.81 0.35 -4.77 117.12 109.57 1djh n MET 495 Ca 0.02 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1djh n MET 495 Cb 0.25 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1djh n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djh s ILE 496 N -3.14 4.37 -0.07 2.02 -1.09 -1.10 -4.58 121.20 117.62 1djh s ILE 496 Ca 0.07 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 1djh s ILE 496 Cb 0.14 -4.49 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1djh s ILE 496 CO 0.73 -0.83 -0.16 -0.38 -1.23 0.00 0.00 174.94 173.07 1djh n ILE 497 N 6.49 0.80 0.70 2.92 2.08 -1.26 -4.86 119.36 126.24 1djh n ILE 497 Ca 0.09 0.29 0.09 0.00 0.56 0.00 0.00 62.75 63.78 1djh n ILE 497 Cb 0.48 -1.85 0.07 0.00 -0.75 0.00 0.00 39.64 37.60 1djh n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1djh n TYR 498 N -3.49 0.01 -3.27 1.39 4.01 -1.26 -4.73 117.16 109.82 1djh n TYR 498 Ca -0.06 -0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.42 1djh n TYR 498 Cb 0.24 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1djh n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djh s LYS 500 N -1.81 4.18 0.15 0.00 2.20 -0.16 -2.14 119.74 122.16 1djh s LYS 500 Ca 0.38 1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 56.93 1djh s LYS 500 Cb 0.18 -3.68 -0.11 0.00 -1.51 0.00 0.00 37.83 32.71 1djh s LYS 500 CO -0.07 -0.74 1.79 0.45 -0.36 0.00 0.00 175.35 176.42 1djh s SER 501 N 1.39 6.42 0.03 1.43 0.15 0.38 -1.05 113.70 122.45 1djh s SER 501 Ca 0.45 2.79 -0.01 0.00 0.70 0.00 0.00 55.95 59.87 1djh s SER 501 Cb -0.14 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1djh s SER 501 CO 0.10 -0.99 -0.01 -0.69 1.20 0.00 0.00 173.24 172.85 1djh s VAL 502 N 2.19 0.15 0.21 4.45 1.01 -0.91 -4.64 120.40 122.86 1djh s VAL 502 Ca 0.79 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1djh s VAL 502 Cb -0.47 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 1djh s VAL 502 CO 0.35 -0.68 0.80 -1.00 0.00 0.00 0.00 175.10 174.57 1djh s HIS 503 N -2.44 3.82 -0.06 5.22 3.76 -1.26 -4.25 115.29 120.07 1djh s HIS 503 Ca -0.07 1.62 -0.29 0.00 -0.15 0.00 0.00 55.06 56.17 1djh s HIS 503 Cb -0.03 -2.77 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 1djh s HIS 503 CO -0.04 0.42 1.91 0.12 -0.85 0.00 0.00 174.74 176.30 1djh s PHE 504 N -1.31 1.48 -0.03 1.40 5.36 -1.26 -4.88 117.98 118.74 1djh s PHE 504 Ca 0.40 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 56.33 1djh s PHE 504 Cb -0.21 -4.10 -0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1djh s PHE 504 CO 0.25 -4.67 -0.01 0.78 -1.46 0.00 0.00 175.22 170.11 1djh h GLY 505 N 11.50 0.00 0.00 13.12 0.00 -1.93 -3.51 103.07 122.24 1djh h GLY 505 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1djh h GLY 505 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.10 1djh n GLY 506 N 1.90 -1.63 3.88 4.60 0.00 -1.26 -5.07 105.19 107.61 1djh n GLY 506 Ca -0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1djh n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djh s PHE 507 N -2.56 3.60 0.00 1.61 0.08 -1.26 -3.89 117.98 115.57 1djh s PHE 507 Ca 0.00 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.61 1djh s PHE 507 Cb 0.00 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1djh s PHE 507 CO 0.00 0.70 0.00 -1.13 -0.10 0.00 0.00 175.22 174.69 1djh n SER 508 N 1.72 0.00 -0.08 1.36 3.41 -1.26 -4.60 113.62 114.16 1djh n SER 508 Ca -0.17 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 57.86 1djh n SER 508 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1djh n SER 508 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1djh n SER 509 N -1.45 1.82 -4.24 4.04 7.64 -1.26 -4.77 113.62 115.40 1djh n SER 509 Ca 0.00 0.58 -0.52 0.00 1.01 0.00 0.00 58.87 59.94 1djh n SER 509 Cb 0.00 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 1djh n SER 509 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1djh n PRO 510 N -4.57 0.00 -3.55 1.43 -0.02 -1.26 -5.21 135.00 121.82 1djh n PRO 510 Ca -0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.27 1djh n PRO 510 Cb 0.38 -1.23 -0.02 0.00 -0.02 0.00 0.00 33.50 32.60 1djh n PRO 510 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1djh s GLY 511 N -0.38 -0.36 0.00 -1.23 0.00 -1.26 -5.01 107.32 99.08 1djh s GLY 511 Ca 0.76 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1djh s GLY 511 CO 0.54 0.50 0.52 -1.30 0.00 0.00 0.00 173.10 173.36 1djh n THR 512 N -0.08 0.47 0.00 0.90 -2.24 -1.26 -4.05 114.28 108.02 1djh n THR 512 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1djh n THR 512 Cb 0.60 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1djh n THR 512 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1djh n SER 513 N 0.63 0.00 -4.34 3.42 2.88 -1.26 -4.89 113.62 110.05 1djh n SER 513 Ca 0.00 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 57.00 1djh n SER 513 Cb 0.26 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 1djh n SER 513 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1djh n GLY 514 N 2.66 -0.07 2.67 0.46 0.00 -1.25 -4.81 105.19 104.85 1djh n GLY 514 Ca 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 46.02 47.08 1djh n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djh n GLN 515 N 7.86 0.00 -1.81 1.61 -0.00 -1.26 -4.85 117.38 118.93 1djh n GLN 515 Ca 0.54 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 57.22 1djh n GLN 515 Cb 0.04 -0.97 0.03 0.00 -0.00 0.00 0.00 30.24 29.34 1djh n GLN 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1djh s ALA 516 N -1.94 2.76 0.47 2.61 0.00 -1.26 -4.94 121.76 119.47 1djh s ALA 516 Ca 0.01 0.18 0.13 0.00 0.00 0.00 0.00 51.96 52.28 1djh s ALA 516 Cb 0.00 -3.18 1.10 0.00 0.00 0.00 0.00 23.12 21.04 1djh s ALA 516 CO 0.03 -0.97 2.10 0.27 0.00 0.00 0.00 175.76 177.18 1djh h PHE 517 N -0.19 0.23 -0.29 0.00 -5.15 -1.93 -0.17 116.94 109.44 1djh h PHE 517 Ca -0.45 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1djh h PHE 517 Cb 1.21 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 37.30 1djh h PHE 517 CO 0.61 0.14 0.00 2.48 -2.00 0.00 0.00 178.31 179.55 1djh n TYR 518 N -4.50 0.69 -5.19 6.09 0.18 -1.26 -4.67 117.16 108.50 1djh n TYR 518 Ca 0.01 -0.27 -0.32 0.00 1.88 0.00 0.00 57.90 59.20 1djh n TYR 518 Cb 0.12 -0.15 -0.16 0.00 -0.38 0.00 0.00 39.34 38.77 1djh n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1djh s GLU 519 N -1.68 2.77 -0.15 -3.48 2.02 -0.08 -0.99 118.70 117.12 1djh s GLU 519 Ca 0.23 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1djh s GLU 519 Cb 0.15 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 32.14 1djh s GLU 519 CO 0.11 0.32 -0.22 1.41 0.02 0.00 0.00 175.26 176.90 1djh s MET 520 N 0.00 3.00 0.19 1.61 -2.45 -0.22 -4.52 119.30 116.92 1djh s MET 520 Ca -0.08 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 53.53 1djh s MET 520 Cb -0.15 -2.45 -0.04 0.00 1.25 0.00 0.00 34.83 33.44 1djh s MET 520 CO 0.05 -0.05 0.35 0.00 1.05 0.00 0.00 175.02 176.42 1djh s ALA 521 N 0.91 3.89 0.12 4.11 0.00 -1.24 -2.13 121.76 127.43 1djh s ALA 521 Ca -0.05 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.06 1djh s ALA 521 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1djh s ALA 521 CO -0.04 0.43 -0.25 -1.12 0.00 0.00 0.00 175.76 174.77 1djh s SER 522 N -3.33 3.41 0.00 0.00 0.01 -1.26 -0.93 113.70 111.60 1djh s SER 522 Ca 0.36 -0.71 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 1djh s SER 522 Cb -0.11 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 1djh s SER 522 CO 0.29 0.18 -0.00 -0.36 0.41 0.00 0.00 173.24 173.76 1djh s PHE 523 N -1.06 0.06 0.61 2.43 0.40 0.22 -4.78 117.98 115.87 1djh s PHE 523 Ca 0.15 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 1djh s PHE 523 Cb -0.10 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 1djh s PHE 523 CO 0.06 -0.05 1.03 -1.54 0.70 0.00 0.00 175.22 175.43 1djh s SER 524 N -0.36 6.02 0.30 1.36 1.04 -1.26 -0.82 113.70 119.97 1djh s SER 524 Ca -0.04 1.59 0.06 0.00 0.48 0.00 0.00 55.95 58.04 1djh s SER 524 Cb -0.02 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.39 1djh s SER 524 CO -0.00 -1.01 1.69 -0.08 0.98 0.00 0.00 173.24 174.82 1djh h GLU 525 N 0.04 0.39 -0.02 4.02 4.81 -0.73 0.80 114.58 123.89 1djh h GLU 525 Ca -0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1djh h GLU 525 Cb 1.20 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1djh h GLU 525 CO 0.60 0.26 -0.01 0.77 -0.73 0.00 0.00 179.01 179.89 1djh h SER 526 N 0.40 0.04 -0.70 1.04 0.02 -1.91 -2.00 113.55 110.44 1djh h SER 526 Ca 0.59 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1djh h SER 526 Cb 1.16 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1djh h SER 526 CO -0.54 0.50 0.45 -0.09 -1.14 0.00 0.00 176.83 176.00 1djh h ARG 527 N -0.41 0.94 -0.28 3.45 2.43 -1.73 -1.80 114.38 116.98 1djh h ARG 527 Ca 0.00 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1djh h ARG 527 Cb 0.48 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1djh h ARG 527 CO 0.00 0.65 -0.00 0.00 -1.51 0.00 0.00 179.97 179.11 1djh h ALA 528 N 1.24 0.25 -0.75 2.80 0.00 -0.82 0.15 119.26 122.13 1djh h ALA 528 Ca 0.26 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1djh h ALA 528 Cb -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1djh h ALA 528 CO -0.05 -0.41 0.48 -0.07 0.00 0.00 0.00 179.25 179.20 1djh h LEU 529 N 0.08 0.81 -0.29 0.00 3.38 -0.92 0.21 115.31 118.59 1djh h LEU 529 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1djh h LEU 529 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1djh h LEU 529 CO -0.23 0.57 0.18 -0.09 0.09 0.00 0.00 178.44 178.96 1djh h ARG 530 N 0.96 0.40 -0.58 1.13 2.43 -0.50 0.62 114.38 118.84 1djh h ARG 530 Ca 0.29 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1djh h ARG 530 Cb -0.03 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1djh h ARG 530 CO -0.09 0.31 0.17 -0.07 -1.51 0.00 0.00 179.97 178.78 1djh h LEU 531 N 0.37 0.81 -0.79 3.80 3.38 -0.14 0.31 115.31 123.06 1djh h LEU 531 Ca 0.11 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1djh h LEU 531 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1djh h LEU 531 CO -0.02 0.77 -0.56 -0.07 0.09 0.00 0.00 178.44 178.65 1djh h LEU 532 N 0.85 0.00 0.00 1.67 3.38 0.01 0.44 115.31 121.66 1djh h LEU 532 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1djh h LEU 532 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1djh h LEU 532 CO -0.01 0.56 -0.00 -0.61 0.09 0.00 0.00 178.44 178.47 1djh h GLN 533 N 0.00 -0.01 0.04 1.13 5.75 0.13 -3.14 115.11 119.02 1djh h GLN 533 Ca -0.01 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 1djh h GLN 533 Cb 1.06 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.56 1djh h GLN 533 CO 0.07 0.40 -2.23 0.39 -2.65 0.00 0.00 178.83 174.82 1djh n GLU 534 N -4.90 0.69 -2.48 1.69 1.02 0.98 -4.60 120.64 113.05 1djh n GLU 534 Ca -0.08 0.18 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 1djh n GLU 534 Cb 0.21 -1.61 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1djh n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1djh n SER 535 N -3.26 4.04 -0.23 1.62 7.64 0.15 -4.91 113.62 118.68 1djh n SER 535 Ca -0.37 -3.49 -0.11 0.00 1.01 0.00 0.00 58.87 55.91 1djh n SER 535 Cb 1.04 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1djh n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1djh h GLY 536 N 2.62 -0.72 1.87 0.23 0.00 -1.47 -0.54 103.07 105.06 1djh h GLY 536 Ca 0.22 0.67 -0.06 0.00 0.00 0.00 0.00 47.33 48.16 1djh h GLY 536 CO 0.76 -0.11 -0.22 -0.57 0.00 0.00 0.00 176.54 176.41 1djh h ASN 537 N -0.24 0.15 -0.40 0.19 -0.73 -1.89 -2.08 115.58 110.58 1djh h ASN 537 Ca 0.14 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1djh h ASN 537 Cb 0.55 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1djh h ASN 537 CO -0.71 0.39 0.12 1.23 -0.37 0.00 0.00 177.43 178.09 1djh h GLY 538 N 0.84 0.66 0.96 1.57 0.00 -1.59 0.03 103.07 105.55 1djh h GLY 538 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1djh h GLY 538 CO 0.03 0.37 0.00 -2.75 0.00 0.00 0.00 176.54 174.19 1djh h PHE 539 N 0.50 0.01 -0.00 5.60 3.04 -0.83 0.59 116.94 125.85 1djh h PHE 539 Ca 0.13 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1djh h PHE 539 Cb 0.26 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 1djh h PHE 539 CO 0.01 0.05 -0.30 0.28 -2.02 0.00 0.00 178.31 176.32 1djh h VAL 540 N -0.03 0.33 -0.72 1.41 2.07 -1.22 0.35 116.25 118.43 1djh h VAL 540 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1djh h VAL 540 Cb 0.04 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1djh h VAL 540 CO -0.00 0.00 0.46 0.03 0.02 0.00 0.00 177.57 178.08 1djh h ARG 541 N -0.45 0.89 -0.61 1.57 3.08 -0.81 -1.28 114.38 116.76 1djh h ARG 541 Ca 0.06 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1djh h ARG 541 Cb 0.54 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1djh h ARG 541 CO -0.26 0.59 0.26 1.25 -1.07 0.00 0.00 179.97 180.73 1djh h HIS 542 N 0.91 0.45 0.00 3.04 2.76 0.15 -1.92 115.15 120.55 1djh h HIS 542 Ca 0.28 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1djh h HIS 542 Cb -0.03 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1djh h HIS 542 CO -0.03 0.14 0.00 0.09 -1.30 0.00 0.00 177.93 176.83 1djh n ASN 543 N -4.95 0.00 -0.06 3.26 3.02 0.11 -2.14 115.26 114.49 1djh n ASN 543 Ca 0.09 -0.09 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1djh n ASN 543 Cb 0.25 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1djh n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djh h VAL 544 N 0.00 1.34 0.00 2.41 2.07 -1.06 -3.33 116.25 117.68 1djh h VAL 544 Ca 0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1djh h VAL 544 Cb 0.11 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1djh h VAL 544 CO 0.00 0.46 -0.92 -1.54 0.02 0.00 0.00 177.57 175.59 1djh n SER 545 N -4.37 0.91 -4.40 0.57 3.41 -1.20 -4.43 113.62 104.11 1djh n SER 545 Ca -0.06 -0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 1djh n SER 545 Cb 0.47 1.17 -0.14 0.00 -0.26 0.00 0.00 64.21 65.45 1djh n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djh s LEU 547 N -1.35 4.24 -0.05 0.00 1.43 -1.26 -4.31 118.68 117.38 1djh s LEU 547 Ca 0.13 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1djh s LEU 547 Cb -0.10 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 1djh s LEU 547 CO 0.04 -0.23 -0.20 -0.44 0.23 0.00 0.00 176.35 175.75 1djh s SER 548 N 0.99 3.50 -0.11 2.29 0.01 -1.26 -3.63 113.70 115.49 1djh s SER 548 Ca 0.35 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.25 1djh s SER 548 Cb -0.17 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 1djh s SER 548 CO 0.15 0.31 -0.08 -0.60 0.41 0.00 0.00 173.24 173.42 1djh s ARG 549 N -0.51 3.17 -0.04 12.44 3.52 -0.11 -1.72 118.95 135.71 1djh s ARG 549 Ca 0.07 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1djh s ARG 549 Cb -0.11 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1djh s ARG 549 CO 0.01 0.42 -0.20 0.42 -0.81 0.00 0.00 175.30 175.14 1djh s ILE 550 N -0.16 2.58 0.10 4.11 -1.09 -0.47 0.73 121.20 126.99 1djh s ILE 550 Ca 0.02 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1djh s ILE 550 Cb -0.13 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1djh s ILE 550 CO 0.03 0.59 -0.08 -0.72 -1.23 0.00 0.00 174.94 173.53 1djh s TYR 551 N -0.66 0.93 0.43 3.97 -0.85 -0.00 -1.43 117.35 119.73 1djh s TYR 551 Ca 0.10 -0.80 -0.26 0.00 -0.52 0.00 0.00 57.07 55.59 1djh s TYR 551 Cb -0.10 -0.53 -0.09 0.00 0.38 0.00 0.00 41.96 41.62 1djh s TYR 551 CO -0.00 -0.09 1.43 -2.14 -1.52 0.00 0.00 175.55 173.22 1djh s PRO 552 N -3.38 3.83 0.43 -3.49 0.02 -1.26 -0.05 135.00 131.10 1djh s PRO 552 Ca 0.09 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.30 1djh s PRO 552 Cb 0.02 -2.75 -0.11 0.00 0.02 0.00 0.00 34.50 31.68 1djh s PRO 552 CO -0.03 -0.70 0.90 0.00 -0.33 0.00 0.00 177.00 176.84 1djh n ALA 553 N 0.02 -0.22 0.17 -1.55 0.00 -1.26 -4.67 120.51 112.99 1djh n ALA 553 Ca 0.04 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1djh n ALA 553 Cb 0.41 -2.01 0.72 0.00 0.00 0.00 0.00 19.45 18.57 1djh n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1djh h GLY 554 N 1.29 0.00 1.51 0.00 0.00 -2.02 -1.77 103.07 102.08 1djh h GLY 554 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1djh h GLY 554 CO 0.55 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.42 1djh n TRP 555 N -4.26 0.00 -1.48 5.60 4.27 -1.26 -3.94 117.44 116.37 1djh n TRP 555 Ca 0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.35 1djh n TRP 555 Cb 0.31 -0.25 -0.07 0.00 -1.36 0.00 0.00 31.31 29.93 1djh n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djh n ARG 556 N -1.25 3.02 0.00 -2.67 1.74 -0.67 -4.61 116.66 112.23 1djh n ARG 556 Ca 0.09 -2.29 0.05 0.00 -0.77 0.00 0.00 57.85 54.92 1djh n ARG 556 Cb 0.13 -2.32 0.23 0.00 -1.02 0.00 0.00 32.46 29.49 1djh n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djh n THR 557 N 1.81 0.94 0.94 0.55 -2.24 -1.25 -0.50 114.28 114.54 1djh n THR 557 Ca 0.55 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.67 1djh n THR 557 Cb 0.52 -1.07 0.31 0.00 -2.10 0.00 0.00 70.33 67.99 1djh n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djh n ASP 558 N -1.35 2.24 -1.48 3.42 5.75 -1.26 -0.93 116.55 122.93 1djh n ASP 558 Ca 0.04 -1.81 -0.15 0.00 -0.01 0.00 0.00 54.79 52.86 1djh n ASP 558 Cb 0.09 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1djh n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1djh n SER 559 N 0.70 -4.58 -4.65 -1.12 7.64 0.35 -4.68 113.62 107.28 1djh n SER 559 Ca 0.17 0.12 -0.29 0.00 1.01 0.00 0.00 58.87 59.88 1djh n SER 559 Cb 0.42 -3.60 0.18 0.00 -1.01 0.00 0.00 64.21 60.20 1djh n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djh s SER 560 N -2.52 2.50 0.14 6.43 1.04 -1.25 -4.69 113.70 115.35 1djh s SER 560 Ca 0.00 1.31 0.09 0.00 0.48 0.00 0.00 55.95 57.83 1djh s SER 560 Cb 0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1djh s SER 560 CO 0.00 -3.22 -0.21 0.20 0.98 0.00 0.00 173.24 170.98 1djh s ASN 561 N -3.29 2.83 0.54 7.02 0.01 -1.26 -4.76 114.94 116.04 1djh s ASN 561 Ca 0.65 -0.78 0.05 0.00 -0.71 0.00 0.00 52.86 52.08 1djh s ASN 561 Cb -0.20 -0.17 0.05 0.00 0.41 0.00 0.00 41.25 41.34 1djh s ASN 561 CO 0.59 0.06 0.75 -0.72 -1.51 0.00 0.00 177.10 176.26 1djh s TYR 562 N -1.49 2.31 -0.07 2.20 1.13 -1.26 -4.94 117.35 115.23 1djh s TYR 562 Ca 0.13 -0.34 -0.28 0.00 -1.41 0.00 0.00 57.07 55.16 1djh s TYR 562 Cb -0.08 -2.56 -0.02 0.00 -1.10 0.00 0.00 41.96 38.20 1djh s TYR 562 CO 0.06 -0.93 0.94 0.45 -2.51 0.00 0.00 175.55 173.56 1djh s SER 563 N -4.51 7.23 0.18 -0.18 0.15 -1.26 -4.86 113.70 110.45 1djh s SER 563 Ca 0.59 1.50 0.02 0.00 0.70 0.00 0.00 55.95 58.76 1djh s SER 563 Cb -0.08 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1djh s SER 563 CO 0.38 -0.33 1.42 1.55 1.20 0.00 0.00 173.24 177.46 1djh h PRO 564 N 6.96 0.23 -0.73 5.44 0.13 -1.97 -3.30 132.00 138.76 1djh h PRO 564 Ca -0.36 -0.22 0.16 0.00 -0.87 0.00 0.00 66.00 64.71 1djh h PRO 564 Cb 1.18 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1djh h PRO 564 CO 0.80 0.92 0.13 0.28 -0.23 0.00 0.00 178.00 179.90 1djh h VAL 565 N 0.14 0.47 -0.26 1.56 2.07 -1.97 0.47 116.25 118.73 1djh h VAL 565 Ca -0.04 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1djh h VAL 565 Cb 1.41 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1djh h VAL 565 CO 0.13 0.04 0.19 1.05 0.02 0.00 0.00 177.57 178.99 1djh h GLU 566 N 0.21 0.00 0.13 1.57 4.11 -1.90 0.24 114.58 118.94 1djh h GLU 566 Ca 0.41 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.64 1djh h GLU 566 Cb 0.71 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.98 1djh h GLU 566 CO -0.55 0.00 -0.90 0.52 0.07 0.00 0.00 179.01 178.15 1djh h MET 567 N 0.00 0.28 -0.57 1.06 2.86 -0.32 -3.24 114.93 115.00 1djh h MET 567 Ca 0.12 -0.48 0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1djh h MET 567 Cb 0.50 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1djh h MET 567 CO -0.00 1.23 0.38 -1.49 1.06 0.00 0.00 176.91 178.09 1djh h TRP 568 N -0.38 0.52 0.00 -0.22 6.55 -0.43 0.15 115.95 122.14 1djh h TRP 568 Ca -0.17 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.68 1djh h TRP 568 Cb 1.65 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.77 1djh h TRP 568 CO 0.19 0.28 0.00 0.09 -1.05 0.00 0.00 178.44 177.94 1djh n ASN 569 N -4.47 0.37 -0.67 -3.49 3.02 0.00 -0.51 115.26 109.52 1djh n ASN 569 Ca 0.08 0.65 0.06 0.00 -0.03 0.00 0.00 54.58 55.34 1djh n ASN 569 Cb 0.25 -0.71 0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1djh n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djh n GLY 570 N -0.94 2.10 1.70 7.41 0.00 0.43 -4.53 105.19 111.36 1djh n GLY 570 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1djh n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djh n GLY 571 N 0.65 0.63 3.68 -0.02 0.00 0.33 -3.47 105.19 106.99 1djh n GLY 571 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1djh n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djh n GLN 573 N 5.83 0.60 -2.94 0.00 3.00 -1.25 -4.22 117.38 118.40 1djh n GLN 573 Ca 0.14 0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 57.18 1djh n GLN 573 Cb 0.43 -1.71 0.01 0.00 0.00 0.00 0.00 30.24 28.97 1djh n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djh n ILE 574 N -4.23 4.98 -2.88 5.09 5.41 -0.70 -1.60 119.36 125.44 1djh n ILE 574 Ca -0.35 -5.51 -0.43 0.00 1.00 0.00 0.00 62.75 57.46 1djh n ILE 574 Cb 0.77 -2.23 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 1djh n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djh s VAL 575 N -1.75 4.41 -0.03 1.39 1.01 -1.26 -1.36 120.40 122.80 1djh s VAL 575 Ca 0.33 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1djh s VAL 575 Cb 0.03 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1djh s VAL 575 CO 0.05 -1.46 0.92 0.00 0.00 0.00 0.00 175.10 174.61 1djh s ALA 576 N 3.79 3.23 0.22 5.51 0.00 -0.52 -4.22 121.76 129.78 1djh s ALA 576 Ca 0.24 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1djh s ALA 576 Cb -0.15 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1djh s ALA 576 CO 0.06 -0.25 -0.08 -0.51 0.00 0.00 0.00 175.76 174.98 1djh s LEU 577 N 1.10 2.44 -0.85 0.00 1.43 -1.02 -4.25 118.68 117.54 1djh s LEU 577 Ca 0.48 -1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 1djh s LEU 577 Cb -0.20 -0.50 0.06 0.00 0.03 0.00 0.00 46.19 45.58 1djh s LEU 577 CO 0.24 -0.33 1.25 0.20 0.23 0.00 0.00 176.35 177.94 1djh s ASN 578 N -3.32 6.36 0.58 2.29 0.01 -1.26 0.17 114.94 119.76 1djh s ASN 578 Ca 0.25 -1.18 0.34 0.00 -0.71 0.00 0.00 52.86 51.56 1djh s ASN 578 Cb 0.03 -2.51 1.86 0.00 0.41 0.00 0.00 41.25 41.04 1djh s ASN 578 CO 0.08 -1.51 2.04 -0.26 -1.51 0.00 0.00 177.10 175.93 1djh h PHE 579 N 9.65 0.00 -0.00 2.20 -1.00 -1.92 -1.77 116.94 124.09 1djh h PHE 579 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1djh h PHE 579 Cb 1.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.60 1djh h PHE 579 CO 1.15 0.00 -0.16 0.00 -1.61 0.00 0.00 178.31 177.69 1djh n GLN 580 N -2.79 0.56 -3.63 1.51 0.00 -1.26 -4.80 117.38 106.96 1djh n GLN 580 Ca -0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 57.00 56.36 1djh n GLN 580 Cb 0.16 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.79 1djh n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djh s THR 581 N -2.59 4.43 0.39 -0.39 2.01 -0.67 -4.98 115.64 113.84 1djh s THR 581 Ca 0.25 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 1djh s THR 581 Cb 0.20 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1djh s THR 581 CO 0.51 -0.21 1.17 -2.84 -0.69 0.00 0.00 174.62 172.57 1djh s PRO 582 N 1.53 4.10 0.00 4.92 0.02 -1.26 -4.64 135.00 139.66 1djh s PRO 582 Ca 0.01 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1djh s PRO 582 Cb -0.19 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1djh s PRO 582 CO 0.06 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 1djh n GLY 583 N 0.66 0.44 0.31 0.52 0.00 -1.26 -4.97 105.19 100.88 1djh n GLY 583 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.08 1djh n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djh h PRO 584 N 0.00 0.52 -0.10 1.61 0.11 -1.98 -1.71 132.00 130.45 1djh h PRO 584 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1djh h PRO 584 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 1djh h PRO 584 CO 0.00 0.34 0.06 0.93 -0.21 0.00 0.00 178.00 179.13 1djh h GLU 585 N 0.54 0.14 0.00 1.05 3.07 -1.92 0.27 114.58 117.73 1djh h GLU 585 Ca 0.15 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1djh h GLU 585 Cb -0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1djh h GLU 585 CO -0.03 0.14 -0.28 0.52 -1.40 0.00 0.00 179.01 177.95 1djh h MET 586 N 0.10 0.00 0.21 2.33 2.86 -1.77 -1.50 114.93 117.16 1djh h MET 586 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1djh h MET 586 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1djh h MET 586 CO -0.01 0.28 -0.10 -0.44 1.06 0.00 0.00 176.91 177.71 1djh h ASP 587 N 0.00 -0.24 -0.87 1.22 3.32 -0.39 -0.51 116.42 118.95 1djh h ASP 587 Ca -0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1djh h ASP 587 Cb 0.89 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1djh h ASP 587 CO 0.04 0.03 0.43 0.58 -1.72 0.00 0.00 179.24 178.60 1djh h VAL 588 N -0.51 1.26 0.32 -1.35 2.07 -0.41 -1.07 116.25 116.56 1djh h VAL 588 Ca -0.03 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1djh h VAL 588 Cb 0.38 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1djh h VAL 588 CO 0.05 0.31 -0.29 0.22 0.02 0.00 0.00 177.57 177.88 1djh h TYR 589 N 1.23 -0.77 0.00 1.57 3.20 -1.04 -1.27 116.97 119.90 1djh h TYR 589 Ca 0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1djh h TYR 589 Cb 0.10 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1djh h TYR 589 CO 0.01 -0.42 0.00 1.28 -1.64 0.00 0.00 178.16 177.39 1djh n LEU 590 N -5.41 0.70 -0.03 2.82 4.77 -0.22 -1.72 117.00 117.91 1djh n LEU 590 Ca -0.09 0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1djh n LEU 590 Cb 0.31 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1djh n LEU 590 CO 0.30 -0.47 0.60 1.23 -1.33 0.00 0.00 177.39 177.72 1djh h GLY 591 N 2.81 0.21 0.68 -0.72 0.00 -0.29 -2.12 103.07 103.63 1djh h GLY 591 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.14 1djh h GLY 591 CO 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 176.54 176.69 1djh n PHE 593 N -5.18 0.00 0.11 0.00 3.72 -0.70 -2.04 117.46 113.37 1djh n PHE 593 Ca -0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1djh n PHE 593 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1djh n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djh h GLN 594 N 0.00 0.00 -7.15 -1.08 5.75 -0.92 -3.30 115.11 108.41 1djh h GLN 594 Ca 0.00 0.00 -0.43 0.00 -0.15 0.00 0.00 58.65 58.07 1djh h GLN 594 Cb 0.00 0.00 0.21 0.00 1.07 0.00 0.00 27.48 28.76 1djh h GLN 594 CO 0.00 0.31 0.00 0.34 -2.65 0.00 0.00 178.83 176.84 1djh s ASP 595 N -6.08 0.72 -1.70 -0.69 -1.08 -0.87 -2.53 116.67 104.44 1djh s ASP 595 Ca 0.02 1.35 -0.17 0.00 -0.52 0.00 0.00 52.55 53.22 1djh s ASP 595 Cb 0.08 -2.07 0.15 0.00 -1.46 0.00 0.00 42.92 39.62 1djh s ASP 595 CO 0.76 -4.34 0.68 -3.20 0.52 0.00 0.00 175.17 169.60 1djh n ASN 596 N -4.99 -2.57 -0.11 -0.34 5.15 -0.63 -0.17 115.26 111.60 1djh n ASN 596 Ca 0.04 -1.07 -0.01 0.00 -0.60 0.00 0.00 54.58 52.94 1djh n ASN 596 Cb 0.56 -2.53 -0.01 0.00 -0.53 0.00 0.00 39.78 37.27 1djh n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djh n GLY 597 N -1.45 0.37 2.87 8.20 0.00 -0.78 -2.91 105.19 111.49 1djh n GLY 597 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1djh n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djh n GLY 598 N -1.05 -0.45 0.17 -0.02 0.00 0.75 -4.74 105.19 99.87 1djh n GLY 598 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1djh n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djh n GLY 600 N 1.06 0.39 2.96 0.00 0.00 -1.26 -4.64 105.19 103.70 1djh n GLY 600 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1djh n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djh s TYR 601 N -2.00 1.82 -0.14 1.61 2.02 -1.26 -1.72 117.35 117.68 1djh s TYR 601 Ca 0.00 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 1djh s TYR 601 Cb 0.00 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 1djh s TYR 601 CO 0.00 -0.59 -0.14 0.08 -1.57 0.00 0.00 175.55 173.34 1djh s VAL 602 N 1.58 1.50 0.07 0.71 1.01 -0.67 -4.91 120.40 119.69 1djh s VAL 602 Ca 0.05 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1djh s VAL 602 Cb -0.13 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 1djh s VAL 602 CO -0.09 0.45 1.72 -0.22 0.00 0.00 0.00 175.10 176.96 1djh s LEU 603 N 1.44 4.38 0.80 3.92 2.96 -1.26 0.59 118.68 131.52 1djh s LEU 603 Ca 0.03 2.54 -0.12 0.00 -0.22 0.00 0.00 54.13 56.36 1djh s LEU 603 Cb -0.13 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.08 1djh s LEU 603 CO -0.09 -0.93 1.17 -0.54 -1.32 0.00 0.00 176.35 174.63 1djh s LYS 604 N 2.97 1.75 0.66 1.98 1.02 -0.00 -4.89 119.74 123.23 1djh s LYS 604 Ca 0.77 1.59 -0.16 0.00 0.02 0.00 0.00 55.97 58.19 1djh s LYS 604 Cb -0.41 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1djh s LYS 604 CO 0.34 -2.09 1.14 -1.25 -0.92 0.00 0.00 175.35 172.57 1djh s PRO 605 N -4.33 2.68 0.18 -1.68 0.04 -1.26 -4.86 135.00 125.77 1djh s PRO 605 Ca 0.69 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 1djh s PRO 605 Cb -0.25 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.51 1djh s PRO 605 CO 0.51 -1.37 1.63 0.00 0.04 0.00 0.00 177.00 177.82 1djh h ALA 606 N 0.10 0.19 -0.03 8.56 0.00 -1.96 0.86 119.26 126.98 1djh h ALA 606 Ca -0.47 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1djh h ALA 606 Cb 1.26 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1djh h ALA 606 CO 0.53 -0.52 0.18 0.27 0.00 0.00 0.00 179.25 179.72 1djh h PHE 607 N -0.08 0.00 -0.37 0.00 -0.00 -1.96 0.82 116.94 115.36 1djh h PHE 607 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.20 1djh h PHE 607 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 1djh h PHE 607 CO -0.46 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.13 1djh n LEU 608 N -3.08 2.48 -0.11 2.10 4.77 0.29 -3.43 117.00 120.02 1djh n LEU 608 Ca -0.02 -1.15 0.07 0.00 -0.03 0.00 0.00 56.01 54.88 1djh n LEU 608 Cb 0.25 -0.24 0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1djh n LEU 608 CO 0.18 0.57 0.51 0.54 -1.33 0.00 0.00 177.39 177.86 1djh n ARG 609 N 0.85 1.34 -3.81 3.23 1.74 0.28 -4.61 116.66 115.68 1djh n ARG 609 Ca 0.17 -2.15 -0.36 0.00 -0.77 0.00 0.00 57.85 54.73 1djh n ARG 609 Cb 0.42 -1.27 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 1djh n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djh s ASP 610 N -2.27 5.15 0.00 0.55 2.15 -1.05 -4.94 116.67 116.25 1djh s ASP 610 Ca 0.22 -1.52 0.00 0.00 0.43 0.00 0.00 52.55 51.68 1djh s ASP 610 Cb 0.19 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 1djh s ASP 610 CO 0.02 -0.39 0.78 -0.81 -0.17 0.00 0.00 175.17 174.61 1djh n PRO 611 N 4.67 0.00 -0.04 4.34 -0.04 -1.26 -0.34 135.00 142.33 1djh n PRO 611 Ca -0.09 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1djh n PRO 611 Cb 0.43 -1.69 0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1djh n PRO 611 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djh n ASN 612 N -1.28 2.13 -4.70 3.54 3.02 -1.26 -4.93 115.26 111.77 1djh n ASN 612 Ca 0.00 -2.57 -0.33 0.00 -0.03 0.00 0.00 54.58 51.66 1djh n ASN 612 Cb 0.19 -0.23 0.13 0.00 -0.61 0.00 0.00 39.78 39.25 1djh n ASN 612 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1djh s THR 613 N -1.97 2.20 -1.60 3.41 -4.23 0.54 -4.88 115.64 109.11 1djh s THR 613 Ca 0.17 0.08 0.16 0.00 -1.18 0.00 0.00 61.69 60.92 1djh s THR 613 Cb 0.15 -2.42 0.34 0.00 1.34 0.00 0.00 72.50 71.90 1djh s THR 613 CO 0.02 -0.07 1.25 0.35 -0.54 0.00 0.00 174.62 175.62 1djh n THR 614 N -3.43 0.65 -1.67 3.99 -2.24 -1.26 -4.94 114.28 105.37 1djh n THR 614 Ca 0.13 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.66 1djh n THR 614 Cb 0.51 0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1djh n THR 614 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1djh n PHE 615 N 0.96 1.97 -3.20 4.78 7.35 -1.26 -4.95 117.46 123.11 1djh n PHE 615 Ca 0.14 0.56 -0.00 0.00 -0.76 0.00 0.00 57.45 57.39 1djh n PHE 615 Cb 0.47 -2.36 -0.02 0.00 0.35 0.00 0.00 39.48 37.92 1djh n PHE 615 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1djh s ASN 616 N -0.45 -0.97 0.59 -2.13 3.84 -1.26 -4.28 114.94 110.28 1djh s ASN 616 Ca 0.58 0.00 0.30 0.00 0.21 0.00 0.00 52.86 53.95 1djh s ASN 616 Cb -0.57 1.73 1.38 0.00 -0.55 0.00 0.00 41.25 43.25 1djh s ASN 616 CO 0.60 -0.32 1.77 0.77 -2.79 0.00 0.00 177.10 177.13 1djh h SER 617 N 8.05 0.00 -0.01 -4.21 4.64 -1.94 0.77 113.55 120.85 1djh h SER 617 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1djh h SER 617 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1djh h SER 617 CO 0.19 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 176.68 1djh n ARG 618 N -3.68 1.76 -3.02 4.77 1.74 -1.26 -4.35 116.66 112.62 1djh n ARG 618 Ca 0.14 -1.13 -0.16 0.00 -0.77 0.00 0.00 57.85 55.92 1djh n ARG 618 Cb 0.92 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1djh n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djh n ALA 619 N 0.37 0.56 -2.29 7.54 0.00 0.27 -5.12 120.51 121.84 1djh n ALA 619 Ca 0.18 -2.29 -0.42 0.00 0.00 0.00 0.00 53.44 50.91 1djh n ALA 619 Cb 0.40 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1djh n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djh s LEU 620 N -0.38 4.37 0.00 0.00 1.43 -1.15 -4.34 118.68 118.61 1djh s LEU 620 Ca 0.33 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1djh s LEU 620 Cb 0.13 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1djh s LEU 620 CO -0.16 -0.56 0.02 0.35 0.23 0.00 0.00 176.35 176.24 1djh n THR 621 N 3.89 0.00 -2.65 5.49 -2.24 -1.26 -5.10 114.28 112.41 1djh n THR 621 Ca 0.10 -0.92 -0.34 0.00 -2.27 0.00 0.00 64.05 60.63 1djh n THR 621 Cb 0.44 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1djh n THR 621 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1djh s GLN 622 N -2.66 3.97 0.00 -0.78 2.00 -1.26 -4.79 119.66 116.14 1djh s GLN 622 Ca 0.03 1.26 0.00 0.00 -2.00 0.00 0.00 55.36 54.65 1djh s GLN 622 Cb 0.00 -2.13 0.00 0.00 0.80 0.00 0.00 33.01 31.68 1djh s GLN 622 CO 0.02 -0.27 0.00 0.41 -0.50 0.00 0.00 175.29 174.95 1djh n GLY 623 N -0.42 1.52 0.35 2.59 0.00 -1.26 -4.99 105.19 102.99 1djh n GLY 623 Ca 0.08 -1.01 0.18 0.00 0.00 0.00 0.00 46.02 45.28 1djh n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djh h PRO 624 N 0.00 0.00 0.00 1.61 0.14 -2.03 0.97 132.00 132.68 1djh h PRO 624 Ca 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 66.05 1djh h PRO 624 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1djh h PRO 624 CO 0.00 0.00 -0.42 0.11 0.14 0.00 0.00 178.00 177.83 1djh h TRP 625 N 0.00 0.00 -2.52 1.56 0.09 -1.94 -3.41 115.95 109.74 1djh h TRP 625 Ca 0.08 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.50 1djh h TRP 625 Cb 0.76 0.00 -0.09 0.00 0.08 0.00 0.00 29.16 29.91 1djh h TRP 625 CO 0.00 0.42 0.93 -0.46 0.09 0.00 0.00 178.44 179.43 1djh s TRP 626 N -3.41 2.40 -0.43 0.12 -0.11 0.33 -4.40 118.94 113.45 1djh s TRP 626 Ca 0.01 -0.11 0.07 0.00 1.22 0.00 0.00 56.10 57.28 1djh s TRP 626 Cb 0.10 -4.53 0.22 0.00 -1.50 0.00 0.00 33.47 27.76 1djh s TRP 626 CO 0.70 -1.93 0.58 0.54 -4.62 0.00 0.00 176.95 172.23 1djh n ARG 627 N 8.90 0.59 -1.66 5.86 1.74 -0.28 -4.78 116.66 127.03 1djh n ARG 627 Ca 0.02 -2.77 -0.44 0.00 -0.77 0.00 0.00 57.85 53.89 1djh n ARG 627 Cb 0.48 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1djh n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djh n PRO 628 N 1.92 1.91 -4.21 5.56 -0.02 -1.22 -4.56 135.00 134.38 1djh n PRO 628 Ca 0.20 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1djh n PRO 628 Cb 0.54 -2.22 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 1djh n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djh s GLU 629 N -1.39 0.94 -0.27 -0.52 0.41 0.29 -4.77 118.70 113.40 1djh s GLU 629 Ca 0.60 -1.24 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 1djh s GLU 629 Cb -0.63 -0.66 0.02 0.00 -1.78 0.00 0.00 34.13 31.09 1djh s GLU 629 CO 0.58 0.11 -0.00 0.50 -0.49 0.00 0.00 175.26 175.96 1djh s ARG 630 N -2.95 2.91 -0.12 1.61 3.52 0.92 -1.26 118.95 123.59 1djh s ARG 630 Ca 0.09 -0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 54.72 1djh s ARG 630 Cb -0.02 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1djh s ARG 630 CO 0.01 -0.43 -0.05 -1.17 -0.81 0.00 0.00 175.30 172.85 1djh s LEU 631 N 1.39 3.19 -0.07 -0.88 2.96 0.53 -1.01 118.68 124.79 1djh s LEU 631 Ca 0.01 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1djh s LEU 631 Cb -0.17 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1djh s LEU 631 CO -0.02 0.25 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.94 1djh s ARG 632 N -0.11 2.36 -0.09 1.98 0.52 0.15 -0.31 118.95 123.45 1djh s ARG 632 Ca 0.02 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1djh s ARG 632 Cb -0.13 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.47 1djh s ARG 632 CO 0.03 0.18 -0.11 0.08 0.02 0.00 0.00 175.30 175.50 1djh s VAL 633 N 0.29 1.18 -0.27 3.52 1.01 0.16 -1.96 120.40 124.33 1djh s VAL 633 Ca -0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1djh s VAL 633 Cb -0.15 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1djh s VAL 633 CO 0.05 0.38 -0.03 -0.60 0.00 0.00 0.00 175.10 174.91 1djh s ARG 634 N 1.10 2.69 -0.48 2.72 3.52 -0.78 -0.37 118.95 127.35 1djh s ARG 634 Ca -0.06 -1.08 -0.27 0.00 -0.13 0.00 0.00 55.73 54.19 1djh s ARG 634 Cb -0.14 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1djh s ARG 634 CO -0.02 -0.49 1.02 0.42 -0.81 0.00 0.00 175.30 175.42 1djh s ILE 635 N 1.31 4.34 -0.02 4.11 -1.09 0.25 -2.10 121.20 128.00 1djh s ILE 635 Ca -0.02 0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 59.29 1djh s ILE 635 Cb -0.18 -4.52 -0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1djh s ILE 635 CO -0.03 -0.95 -0.03 0.40 -1.23 0.00 0.00 174.94 173.10 1djh h ILE 636 N 6.14 0.00 -4.24 2.92 2.04 -1.55 0.75 117.51 123.57 1djh h ILE 636 Ca -0.24 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.29 1djh h ILE 636 Cb 1.07 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.02 1djh h ILE 636 CO 1.08 0.00 -0.42 -0.94 0.00 0.00 0.00 178.15 177.86 1djh s SER 637 N -3.83 0.11 0.14 1.72 1.04 -1.12 -0.02 113.70 111.74 1djh s SER 637 Ca -0.02 -1.23 0.10 0.00 0.48 0.00 0.00 55.95 55.28 1djh s SER 637 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1djh s SER 637 CO 0.03 -0.96 -0.24 -0.83 0.98 0.00 0.00 173.24 172.21 1djh s GLY 638 N -3.11 1.52 -0.10 7.32 0.00 -0.27 -0.28 107.32 112.41 1djh s GLY 638 Ca 0.33 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1djh s GLY 638 CO 0.11 -1.47 -0.09 1.20 0.00 0.00 0.00 173.10 172.85 1djh s GLN 639 N -2.23 1.60 -1.39 2.90 1.11 -0.57 -3.43 119.66 117.64 1djh s GLN 639 Ca 0.14 -0.32 -0.04 0.00 0.01 0.00 0.00 55.36 55.15 1djh s GLN 639 Cb -0.09 -1.53 0.00 0.00 -1.01 0.00 0.00 33.01 30.38 1djh s GLN 639 CO 0.07 -0.16 0.40 1.04 0.01 0.00 0.00 175.29 176.64 1djh n GLN 640 N 4.53 -2.53 -1.87 2.91 6.02 -0.19 -2.26 117.38 124.00 1djh n GLN 640 Ca -0.16 0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 1djh n GLN 640 Cb 0.51 -4.22 -0.03 0.00 1.02 0.00 0.00 30.24 27.51 1djh n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1djh s LEU 641 N -7.01 4.37 0.50 1.08 1.43 0.21 -3.98 118.68 115.28 1djh s LEU 641 Ca 0.07 2.73 -0.23 0.00 -1.03 0.00 0.00 54.13 55.67 1djh s LEU 641 Cb -0.03 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 1djh s LEU 641 CO 0.91 -0.87 1.38 -2.65 0.23 0.00 0.00 176.35 175.35 1djh n PRO 642 N 3.64 1.92 -2.89 1.29 -0.02 -1.26 -4.71 135.00 132.97 1djh n PRO 642 Ca 0.13 0.70 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 1djh n PRO 642 Cb 0.38 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1djh n PRO 642 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1djh s LYS 643 N -2.67 3.68 0.00 -0.52 2.20 -1.26 -4.93 119.74 116.24 1djh s LYS 643 Ca 0.67 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 1djh s LYS 643 Cb -0.44 -4.99 0.00 0.00 -1.51 0.00 0.00 37.83 30.90 1djh s LYS 643 CO 0.53 -1.82 0.00 1.33 -0.36 0.00 0.00 175.35 175.03 1djh n VAL 644 N 5.50 0.00 -1.79 4.02 0.24 -1.26 -4.48 118.33 120.56 1djh n VAL 644 Ca 0.27 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.63 1djh n VAL 644 Cb 0.48 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 33.01 1djh n VAL 644 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1djh n ASN 645 N 0.00 1.54 -3.24 -1.34 3.02 -1.26 -5.07 115.26 108.92 1djh n ASN 645 Ca 0.00 -3.38 -0.11 0.00 -0.03 0.00 0.00 54.58 51.07 1djh n ASN 645 Cb 0.00 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1djh n ASN 645 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1djh n LYS 646 N -0.73 0.38 nan 3.52 3.00 -1.26 -5.22 118.16 nan 1djh n LYS 646 Ca 0.15 -1.32 nan 0.00 -0.00 0.00 0.00 58.31 nan 1djh n LYS 646 Cb 0.80 -0.27 nan 0.00 0.00 0.00 0.00 35.03 nan 1djh n LYS 646 CO 0.00 0.00 nan 0.27 0.00 0.00 0.00 177.40 nan 1djh n ASN 647 N -2.90 nan 0.00 3.14 0.23 -1.26 -5.09 115.26 nan 1djh n ASN 647 Ca 0.08 nan 0.00 0.00 -0.53 0.00 0.00 54.58 nan 1djh n ASN 647 Cb 0.28 nan 0.00 0.00 -2.08 0.00 0.00 39.78 nan 1djh n ASN 647 CO 0.00 nan 0.00 -1.20 -0.93 0.00 0.00 177.26 nan 1djh n SER 650 N nan 0.00 -4.10 0.53 7.64 -1.26 -5.69 113.62 nan 1djh n SER 650 Ca nan 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 nan 1djh n SER 650 Cb nan 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 nan 1djh n SER 650 CO nan 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 nan 1djh s ILE 651 N 0.00 1.44 0.74 0.44 -1.09 -1.26 -5.04 121.20 116.42 1djh s ILE 651 Ca 0.00 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 1djh s ILE 651 Cb 0.00 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.58 1djh s ILE 651 CO 0.00 0.42 0.61 1.33 -1.23 0.00 0.00 174.94 176.07 1djh n VAL 652 N 3.62 1.84 -3.56 2.92 0.24 -1.26 -4.54 118.33 117.60 1djh n VAL 652 Ca -0.21 -0.37 -0.27 0.00 -2.04 0.00 0.00 64.34 61.44 1djh n VAL 652 Cb 0.52 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.99 1djh n VAL 652 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1djh n ASP 653 N -0.67 1.29 -4.77 -1.34 9.92 -1.26 -1.47 116.55 118.25 1djh n ASP 653 Ca 0.10 -2.82 -0.39 0.00 -0.53 0.00 0.00 54.79 51.16 1djh n ASP 653 Cb 0.50 -0.65 -0.04 0.00 -0.64 0.00 0.00 41.12 40.29 1djh n ASP 653 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1djh s PRO 654 N -0.89 4.46 0.07 -0.24 0.04 -1.08 -0.86 135.00 136.51 1djh s PRO 654 Ca 0.31 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1djh s PRO 654 Cb 0.04 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1djh s PRO 654 CO -0.16 0.10 -0.05 -1.59 0.04 0.00 0.00 177.00 175.34 1djh s LYS 655 N -1.87 0.70 -0.03 4.56 -2.85 -0.90 -1.24 119.74 118.10 1djh s LYS 655 Ca 0.50 -1.22 0.05 0.00 -1.00 0.00 0.00 55.97 54.30 1djh s LYS 655 Cb -0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.46 1djh s LYS 655 CO 0.34 -0.05 -0.20 0.08 0.10 0.00 0.00 175.35 175.62 1djh s VAL 656 N -3.48 1.59 -0.08 1.79 1.01 -1.26 -2.10 120.40 117.86 1djh s VAL 656 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1djh s VAL 656 Cb 0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1djh s VAL 656 CO -0.06 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.69 1djh s ILE 657 N -0.20 2.81 -0.14 2.22 -1.09 0.64 -0.31 121.20 125.13 1djh s ILE 657 Ca 0.01 -0.78 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1djh s ILE 657 Cb -0.10 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1djh s ILE 657 CO 0.01 0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.38 1djh s VAL 658 N -0.20 2.04 0.07 2.92 1.01 0.96 -0.34 120.40 126.86 1djh s VAL 658 Ca -0.00 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1djh s VAL 658 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1djh s VAL 658 CO 0.03 0.55 -0.21 -1.61 0.00 0.00 0.00 175.10 173.86 1djh s GLU 659 N 0.82 1.26 -0.20 2.72 2.02 0.64 -0.31 118.70 125.66 1djh s GLU 659 Ca -0.07 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.83 1djh s GLU 659 Cb -0.15 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.61 1djh s GLU 659 CO -0.02 0.36 -0.07 0.42 0.02 0.00 0.00 175.26 175.97 1djh s ILE 660 N -0.98 3.24 -0.07 -1.63 -1.09 0.03 0.07 121.20 120.77 1djh s ILE 660 Ca 0.07 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1djh s ILE 660 Cb -0.09 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 1djh s ILE 660 CO 0.03 0.45 -0.11 -1.00 -1.23 0.00 0.00 174.94 173.08 1djh s HIS 661 N 1.21 2.80 -2.67 3.97 3.76 -0.13 -1.91 115.29 122.33 1djh s HIS 661 Ca 0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1djh s HIS 661 Cb -0.14 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 31.86 1djh s HIS 661 CO -0.02 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1djh n GLY 662 N 2.42 -0.61 3.67 -2.22 0.00 -1.26 -0.43 105.19 106.75 1djh n GLY 662 Ca -0.18 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1djh n GLY 662 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1djh n VAL 663 N 4.80 4.19 -0.29 1.61 0.24 -1.26 -4.66 118.33 122.95 1djh n VAL 663 Ca 0.00 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1djh n VAL 663 Cb 0.00 -1.33 0.28 0.00 -1.47 0.00 0.00 33.84 31.32 1djh n VAL 663 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1djh h GLY 664 N 0.61 1.37 2.00 7.63 0.00 -1.98 0.21 103.07 112.90 1djh h GLY 664 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1djh h GLY 664 CO 0.52 -0.32 0.00 0.07 0.00 0.00 0.00 176.54 176.81 1djh h ARG 665 N 0.26 0.00 0.00 4.80 0.11 -1.89 -2.65 114.38 115.02 1djh h ARG 665 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1djh h ARG 665 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1djh h ARG 665 CO -0.60 0.00 -1.21 -0.25 0.10 0.00 0.00 179.97 178.00 1djh n ASP 666 N -2.80 0.55 -4.75 0.08 8.00 0.70 -4.92 116.55 113.42 1djh n ASP 666 Ca 0.00 -0.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.98 1djh n ASP 666 Cb 0.22 0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 1djh n ASP 666 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1djh s THR 667 N -3.28 2.60 0.17 -3.53 -4.23 -1.00 -4.73 115.64 101.64 1djh s THR 667 Ca 0.01 0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 60.80 1djh s THR 667 Cb 0.13 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.71 1djh s THR 667 CO 0.82 0.09 0.68 -0.83 -0.54 0.00 0.00 174.62 174.84 1djh s GLY 668 N 0.31 -0.45 -0.09 3.99 0.00 -0.80 -4.97 107.32 105.31 1djh s GLY 668 Ca 0.59 0.33 -0.14 0.00 0.00 0.00 0.00 44.72 45.50 1djh s GLY 668 CO 0.45 0.11 0.36 -0.45 0.00 0.00 0.00 173.10 173.56 1djh s SER 669 N -2.77 -0.32 0.04 1.64 0.15 -1.26 -0.79 113.70 110.39 1djh s SER 669 Ca 0.05 0.48 -0.04 0.00 0.70 0.00 0.00 55.95 57.14 1djh s SER 669 Cb -0.02 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1djh s SER 669 CO -0.07 -0.27 0.06 -0.13 1.20 0.00 0.00 173.24 174.04 1djh s ARG 670 N -0.45 0.58 0.04 5.44 1.81 0.57 -4.97 118.95 121.97 1djh s ARG 670 Ca -0.06 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 1djh s ARG 670 Cb -0.04 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 1djh s ARG 670 CO 0.02 -0.14 -0.08 1.14 -0.68 0.00 0.00 175.30 175.57 1djh s GLN 671 N -2.81 0.52 0.87 3.54 -2.07 -1.26 -0.02 119.66 118.43 1djh s GLN 671 Ca -0.03 -0.74 -0.08 0.00 -1.82 0.00 0.00 55.36 52.69 1djh s GLN 671 Cb -0.00 -0.29 0.19 0.00 -1.09 0.00 0.00 33.01 31.81 1djh s GLN 671 CO -0.06 0.05 1.19 0.95 -1.32 0.00 0.00 175.29 176.10 1djh s THR 672 N -1.34 2.00 0.88 3.63 -4.23 0.58 -4.98 115.64 112.18 1djh s THR 672 Ca -0.10 -0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 59.96 1djh s THR 672 Cb -0.10 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1djh s THR 672 CO 0.00 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.32 1djh s ALA 673 N -3.57 2.51 -0.14 3.99 0.00 -1.26 -4.54 121.76 118.75 1djh s ALA 673 Ca 0.72 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.58 1djh s ALA 673 Cb -0.03 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1djh s ALA 673 CO 0.49 -2.05 0.20 0.08 0.00 0.00 0.00 175.76 174.49 1djh s VAL 674 N -3.70 5.38 -0.24 0.00 1.01 -1.26 -4.41 120.40 117.18 1djh s VAL 674 Ca 0.68 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 1djh s VAL 674 Cb -0.07 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1djh s VAL 674 CO 0.51 0.51 0.15 -0.63 0.00 0.00 0.00 175.10 175.63 1djh s ILE 675 N -0.25 5.30 0.01 2.22 -1.09 -0.37 -4.98 121.20 122.03 1djh s ILE 675 Ca 0.14 0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.50 1djh s ILE 675 Cb -0.12 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1djh s ILE 675 CO 0.03 0.35 0.64 0.42 -1.23 0.00 0.00 174.94 175.15 1djh s THR 676 N 1.06 4.86 -1.25 2.92 -4.23 -1.26 -2.65 115.64 115.09 1djh s THR 676 Ca 0.07 1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 61.94 1djh s THR 676 Cb -0.14 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1djh s THR 676 CO 0.04 0.40 0.86 0.59 -0.54 0.00 0.00 174.62 175.98 1djh n ASN 677 N 2.77 -1.68 -3.27 3.99 4.13 -1.14 -4.98 115.26 115.07 1djh n ASN 677 Ca -0.06 -0.71 0.02 0.00 1.68 0.00 0.00 54.58 55.51 1djh n ASN 677 Cb 0.51 -4.64 -0.02 0.00 -1.54 0.00 0.00 39.78 34.09 1djh n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1djh s ASN 678 N -4.35 -1.16 -0.00 6.41 3.84 -0.54 -4.79 114.94 114.35 1djh s ASN 678 Ca 0.01 0.95 0.05 0.00 0.21 0.00 0.00 52.86 54.08 1djh s ASN 678 Cb -0.00 2.07 -0.07 0.00 -0.55 0.00 0.00 41.25 42.70 1djh s ASN 678 CO 0.77 -0.26 0.15 0.61 -2.79 0.00 0.00 177.10 175.58 1djh n GLY 679 N 5.43 0.07 0.25 1.21 0.00 -1.26 -4.16 105.19 106.72 1djh n GLY 679 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1djh n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djh h PHE 680 N 0.00 0.98 0.00 1.61 3.57 -1.85 0.60 116.94 121.85 1djh h PHE 680 Ca 0.00 -0.25 -0.19 0.00 3.53 0.00 0.00 57.97 61.07 1djh h PHE 680 Cb 0.19 -0.22 -0.14 0.00 2.79 0.00 0.00 35.95 38.57 1djh h PHE 680 CO 0.00 1.02 -0.23 0.27 -2.23 0.00 0.00 178.31 177.15 1djh n ASN 681 N -4.22 -1.70 -4.66 0.41 0.23 -1.24 -1.02 115.26 103.06 1djh n ASN 681 Ca -0.01 -2.26 -0.36 0.00 -0.53 0.00 0.00 54.58 51.42 1djh n ASN 681 Cb 0.44 0.99 0.08 0.00 -2.08 0.00 0.00 39.78 39.20 1djh n ASN 681 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1djh n PRO 682 N -0.62 0.76 -4.18 -0.53 -0.04 -1.22 -4.71 135.00 124.46 1djh n PRO 682 Ca -0.09 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1djh n PRO 682 Cb 0.80 -2.33 -0.17 0.00 -0.04 0.00 0.00 33.50 31.77 1djh n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1djh s ARG 683 N -3.28 1.42 -0.18 0.54 3.52 -1.26 -1.11 118.95 118.60 1djh s ARG 683 Ca 0.77 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 56.07 1djh s ARG 683 Cb -0.37 -1.36 -0.09 0.00 -1.56 0.00 0.00 34.95 31.56 1djh s ARG 683 CO 0.46 -0.14 -0.20 0.91 -0.81 0.00 0.00 175.30 175.52 1djh n TRP 684 N 4.42 0.00 -3.83 5.12 8.01 0.97 -4.98 117.44 127.14 1djh n TRP 684 Ca -0.18 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.75 1djh n TRP 684 Cb 0.51 -0.65 0.01 0.00 -2.01 0.00 0.00 31.31 29.16 1djh n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djh n ASP 685 N -3.46 -1.79 -4.29 -0.99 8.00 -0.03 -4.98 116.55 109.02 1djh n ASP 685 Ca -0.33 -0.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.89 1djh n ASP 685 Cb 0.78 -3.32 -0.16 0.00 -0.02 0.00 0.00 41.12 38.40 1djh n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djh s MET 686 N -6.29 2.01 -0.02 -1.24 1.75 0.08 -4.95 119.30 110.63 1djh s MET 686 Ca 0.13 -0.89 0.07 0.00 -1.25 0.00 0.00 55.69 53.74 1djh s MET 686 Cb -0.05 -1.95 -0.02 0.00 2.84 0.00 0.00 34.83 35.66 1djh s MET 686 CO 0.87 0.53 -0.22 -2.00 -0.65 0.00 0.00 175.02 173.55 1djh s GLU 687 N -0.59 1.81 0.06 4.11 2.12 -1.26 0.88 118.70 125.82 1djh s GLU 687 Ca 0.10 -0.78 0.08 0.00 0.36 0.00 0.00 54.97 54.73 1djh s GLU 687 Cb -0.10 -1.73 -0.03 0.00 0.26 0.00 0.00 34.13 32.53 1djh s GLU 687 CO -0.01 0.46 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.88 1djh s PHE 688 N -0.49 2.04 -0.10 5.30 0.08 0.50 -4.96 117.98 120.35 1djh s PHE 688 Ca 0.08 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.77 1djh s PHE 688 Cb -0.09 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1djh s PHE 688 CO -0.01 0.13 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.05 1djh s GLU 689 N -1.33 2.63 0.04 0.44 -6.30 -1.26 -0.67 118.70 112.25 1djh s GLU 689 Ca 0.09 -0.73 0.08 0.00 -2.50 0.00 0.00 54.97 51.91 1djh s GLU 689 Cb -0.09 -2.05 -0.03 0.00 0.00 0.00 0.00 34.13 31.96 1djh s GLU 689 CO 0.02 0.09 -0.22 -0.06 0.02 0.00 0.00 175.26 175.12 1djh s PHE 690 N 0.54 1.95 -0.22 5.30 0.08 0.58 -4.98 117.98 121.23 1djh s PHE 690 Ca -0.15 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 56.42 1djh s PHE 690 Cb -0.17 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1djh s PHE 690 CO 0.05 0.10 0.11 -2.00 -0.10 0.00 0.00 175.22 173.39 1djh s GLU 691 N -1.20 3.95 -0.22 0.44 2.56 -1.26 -0.35 118.70 122.62 1djh s GLU 691 Ca 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 54.97 54.73 1djh s GLU 691 Cb -0.09 -3.39 0.05 0.00 2.00 0.00 0.00 34.13 32.70 1djh s GLU 691 CO 0.02 0.07 -0.09 0.08 -0.56 0.00 0.00 175.26 174.78 1djh s VAL 692 N 0.97 1.70 0.01 3.70 1.01 -0.39 -4.85 120.40 122.54 1djh s VAL 692 Ca 0.06 -1.18 0.10 0.00 0.00 0.00 0.00 61.98 60.96 1djh s VAL 692 Cb -0.14 -1.84 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 1djh s VAL 692 CO 0.03 0.05 1.28 0.71 0.00 0.00 0.00 175.10 177.18 1djh h THR 693 N 6.54 1.33 -2.17 3.92 1.35 -1.85 0.85 112.91 122.87 1djh h THR 693 Ca -0.23 -2.91 -0.55 0.00 -0.55 0.00 0.00 66.41 62.16 1djh h THR 693 Cb 1.08 2.65 -0.41 0.00 -1.73 0.00 0.00 68.15 69.73 1djh h THR 693 CO 0.45 0.76 -0.84 0.52 -0.25 0.00 0.00 175.52 176.16 1djh n VAL 694 N -3.27 1.77 0.00 6.82 0.31 -1.26 -1.12 118.33 121.58 1djh n VAL 694 Ca -0.01 -5.15 0.23 0.00 -0.01 0.00 0.00 64.34 59.40 1djh n VAL 694 Cb 0.87 -1.13 0.70 0.00 -0.91 0.00 0.00 33.84 33.37 1djh n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1djh h PRO 695 N 3.15 0.00 0.00 5.55 0.13 -1.80 -0.24 132.00 138.79 1djh h PRO 695 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1djh h PRO 695 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1djh h PRO 695 CO 0.70 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.03 1djh h ASP 696 N 0.00 0.00 -0.17 1.44 3.32 -1.92 -1.90 116.42 117.19 1djh h ASP 696 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1djh h ASP 696 Cb 1.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1djh h ASP 696 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1djh n LEU 697 N -2.59 2.35 -4.91 1.55 4.77 -0.10 -4.87 117.00 113.20 1djh n LEU 697 Ca 0.00 -1.59 -0.28 0.00 -0.03 0.00 0.00 56.01 54.11 1djh n LEU 697 Cb 0.17 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1djh n LEU 697 CO 0.19 0.55 0.19 0.00 -1.33 0.00 0.00 177.39 176.99 1djh s ALA 698 N -0.90 3.64 0.01 -1.18 0.00 -0.71 -4.35 121.76 118.26 1djh s ALA 698 Ca 0.16 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1djh s ALA 698 Cb 0.09 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1djh s ALA 698 CO 0.12 0.24 -0.04 -0.51 0.00 0.00 0.00 175.76 175.57 1djh s LEU 699 N -3.57 2.12 -0.17 0.00 1.02 0.43 -0.86 118.68 117.65 1djh s LEU 699 Ca 0.43 -0.27 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 1djh s LEU 699 Cb -0.11 -0.11 -0.02 0.00 0.02 0.00 0.00 46.19 45.98 1djh s LEU 699 CO 0.30 -0.09 -0.06 -0.69 0.02 0.00 0.00 176.35 175.83 1djh s VAL 700 N -0.69 3.49 -0.06 -1.59 1.01 0.76 -0.95 120.40 122.37 1djh s VAL 700 Ca -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1djh s VAL 700 Cb -0.05 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1djh s VAL 700 CO -0.00 0.47 -0.24 -0.60 0.00 0.00 0.00 175.10 174.73 1djh s ARG 701 N 0.78 2.57 -0.21 2.72 3.52 0.11 -0.24 118.95 128.21 1djh s ARG 701 Ca -0.02 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.65 1djh s ARG 701 Cb -0.15 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1djh s ARG 701 CO 0.02 0.39 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.80 1djh s PHE 702 N -0.19 2.97 -0.06 5.12 0.40 0.67 -0.26 117.98 126.63 1djh s PHE 702 Ca -0.03 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1djh s PHE 702 Cb -0.14 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1djh s PHE 702 CO 0.03 -0.42 -0.14 1.41 0.70 0.00 0.00 175.22 176.80 1djh s MET 703 N 1.23 1.74 -0.19 0.44 1.75 0.53 -1.25 119.30 123.56 1djh s MET 703 Ca 0.03 -0.49 -0.04 0.00 -1.25 0.00 0.00 55.69 53.94 1djh s MET 703 Cb -0.14 -1.46 -0.02 0.00 2.84 0.00 0.00 34.83 36.05 1djh s MET 703 CO -0.01 0.11 -0.04 0.08 -0.65 0.00 0.00 175.02 174.51 1djh s VAL 704 N 0.41 3.62 0.16 10.11 1.01 0.56 -0.26 120.40 136.02 1djh s VAL 704 Ca -0.11 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.54 1djh s VAL 704 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1djh s VAL 704 CO 0.03 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.80 1djh s GLU 705 N 0.92 1.76 -0.34 2.72 2.02 -0.89 0.11 118.70 124.99 1djh s GLU 705 Ca -0.00 -1.32 -0.12 0.00 0.02 0.00 0.00 54.97 53.55 1djh s GLU 705 Cb -0.15 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1djh s GLU 705 CO 0.01 0.44 0.22 0.34 0.02 0.00 0.00 175.26 176.29 1djh s ASP 706 N -2.50 5.90 0.30 -0.19 2.15 0.34 -2.12 116.67 120.55 1djh s ASP 706 Ca 0.21 -0.53 -0.29 0.00 0.43 0.00 0.00 52.55 52.36 1djh s ASP 706 Cb -0.09 -2.09 -0.10 0.00 -0.30 0.00 0.00 42.92 40.34 1djh s ASP 706 CO 0.11 -0.25 1.23 -0.47 -0.17 0.00 0.00 175.17 175.62 1djh s TYR 707 N 1.68 3.26 -0.10 -5.34 6.14 -0.03 -1.51 117.35 121.45 1djh s TYR 707 Ca 0.05 1.50 -0.02 0.00 0.64 0.00 0.00 57.07 59.24 1djh s TYR 707 Cb -0.18 -3.53 0.04 0.00 0.42 0.00 0.00 41.96 38.71 1djh s TYR 707 CO 0.09 -1.39 0.04 -0.51 0.64 0.00 0.00 175.55 174.42 1djh s ASP 708 N -0.53 1.78 0.28 4.32 1.01 -1.26 -4.69 116.67 117.58 1djh s ASP 708 Ca 0.48 -0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.48 1djh s ASP 708 Cb -0.37 -0.33 0.39 0.00 1.01 0.00 0.00 42.92 43.61 1djh s ASP 708 CO 0.47 -0.26 1.93 0.77 0.21 0.00 0.00 175.17 178.30 1djh h SER 709 N 8.37 0.98 0.00 0.27 4.64 -1.97 -3.29 113.55 122.54 1djh h SER 709 Ca -0.16 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1djh h SER 709 Cb 1.13 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1djh h SER 709 CO 0.24 0.74 -0.44 0.77 -0.87 0.00 0.00 176.83 177.28 1djh h SER 710 N 1.14 0.00 -6.04 4.97 4.64 -2.03 -3.49 113.55 112.74 1djh h SER 710 Ca 0.30 -0.77 -0.42 0.00 -0.47 0.00 0.00 61.79 60.43 1djh h SER 710 Cb -0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1djh h SER 710 CO -0.06 1.14 -0.09 -1.54 -0.87 0.00 0.00 176.83 175.41 1djh n SER 711 N -4.56 1.90 -4.74 4.97 3.41 -1.24 -5.08 113.62 108.27 1djh n SER 711 Ca -0.17 -2.34 -0.40 0.00 -0.26 0.00 0.00 58.87 55.69 1djh n SER 711 Cb 0.52 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1djh n SER 711 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1djh s LYS 712 N -4.14 4.80 0.32 4.33 2.20 -1.26 -4.43 119.74 121.56 1djh s LYS 712 Ca 0.46 1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 57.27 1djh s LYS 712 Cb -0.04 -3.31 -0.12 0.00 -1.51 0.00 0.00 37.83 32.86 1djh s LYS 712 CO 0.29 0.40 1.52 0.09 -0.36 0.00 0.00 175.35 177.30 1djh n ASN 713 N 1.95 3.68 -4.81 1.43 3.02 -1.26 -4.79 115.26 114.47 1djh n ASN 713 Ca -0.00 1.18 -0.33 0.00 -0.03 0.00 0.00 54.58 55.40 1djh n ASN 713 Cb 0.48 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.04 1djh n ASN 713 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1djh s ASP 714 N 0.19 6.23 0.01 6.41 1.11 -0.57 -4.74 116.67 125.32 1djh s ASP 714 Ca 0.60 1.79 -0.24 0.00 0.18 0.00 0.00 52.55 54.87 1djh s ASP 714 Cb -0.50 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 40.90 1djh s ASP 714 CO 0.55 -0.86 0.73 0.12 1.18 0.00 0.00 175.17 176.90 1djh s PHE 715 N -2.32 3.69 -0.21 4.23 2.19 -1.26 0.13 117.98 124.42 1djh s PHE 715 Ca 0.64 1.39 -0.12 0.00 0.33 0.00 0.00 56.93 59.16 1djh s PHE 715 Cb -0.14 -2.79 -0.09 0.00 -1.31 0.00 0.00 43.02 38.69 1djh s PHE 715 CO 0.29 0.24 -0.29 -0.89 1.83 0.00 0.00 175.22 176.39 1djh n ILE 716 N 3.04 1.26 -3.73 3.12 5.41 0.29 -4.83 119.36 123.92 1djh n ILE 716 Ca -0.03 -0.25 -0.02 0.00 1.00 0.00 0.00 62.75 63.45 1djh n ILE 716 Cb 0.51 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.57 1djh n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djh s GLY 717 N -5.33 -0.26 0.21 7.39 0.00 -1.09 -4.79 107.32 103.46 1djh s GLY 717 Ca -0.30 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.44 1djh s GLY 717 CO 0.39 0.06 0.60 1.62 0.00 0.00 0.00 173.10 175.77 1djh s GLN 718 N -3.11 1.48 -0.28 2.90 -0.44 -0.57 -0.32 119.66 119.33 1djh s GLN 718 Ca 0.13 -0.82 -0.17 0.00 -2.50 0.00 0.00 55.36 52.00 1djh s GLN 718 Cb -0.00 0.56 0.09 0.00 -1.64 0.00 0.00 33.01 32.02 1djh s GLN 718 CO 0.01 -0.65 0.74 0.45 0.50 0.00 0.00 175.29 176.35 1djh s SER 719 N -2.86 -0.86 -0.12 6.67 0.15 -0.38 0.80 113.70 117.11 1djh s SER 719 Ca 0.08 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.14 1djh s SER 719 Cb -0.02 1.36 0.01 0.00 -1.71 0.00 0.00 66.02 65.65 1djh s SER 719 CO -0.02 -0.22 -0.20 -0.89 1.20 0.00 0.00 173.24 173.11 1djh s THR 720 N 1.50 1.82 -0.11 6.45 2.01 -1.26 -0.24 115.64 125.81 1djh s THR 720 Ca -0.09 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1djh s THR 720 Cb -0.05 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1djh s THR 720 CO -0.18 0.50 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.50 1djh s ILE 721 N 0.77 1.32 0.33 1.82 1.01 0.67 -4.57 121.20 122.54 1djh s ILE 721 Ca -0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1djh s ILE 721 Cb -0.16 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 40.96 1djh s ILE 721 CO 0.01 0.41 1.49 -2.84 0.00 0.00 0.00 174.94 174.01 1djh s PRO 722 N 1.27 4.17 0.21 2.79 0.02 -1.26 -0.17 135.00 142.03 1djh s PRO 722 Ca -0.02 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.30 1djh s PRO 722 Cb -0.14 -3.02 0.19 0.00 0.02 0.00 0.00 34.50 31.55 1djh s PRO 722 CO -0.05 -0.50 1.51 1.87 -0.33 0.00 0.00 177.00 179.50 1djh n TRP 723 N 1.29 -0.04 1.23 6.54 -0.00 -0.04 -0.26 117.44 126.17 1djh n TRP 723 Ca 0.04 1.20 0.07 0.00 -0.00 0.00 0.00 57.50 58.82 1djh n TRP 723 Cb 0.39 -0.82 0.44 0.00 -0.00 0.00 0.00 31.31 31.32 1djh n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1djh n ASN 724 N -5.40 0.00 -0.26 5.87 3.02 -1.26 -2.05 115.26 115.17 1djh n ASN 724 Ca 0.09 -0.76 0.05 0.00 -0.03 0.00 0.00 54.58 53.93 1djh n ASN 724 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1djh n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djh n SER 725 N -0.88 1.32 -4.61 6.41 7.64 0.64 -4.96 113.62 119.18 1djh n SER 725 Ca 0.11 -1.16 -0.43 0.00 1.01 0.00 0.00 58.87 58.40 1djh n SER 725 Cb 0.05 0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1djh n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djh s LEU 726 N -1.57 3.69 0.39 -3.43 2.96 -0.87 0.41 118.68 120.26 1djh s LEU 726 Ca 0.09 1.28 -0.20 0.00 -0.22 0.00 0.00 54.13 55.08 1djh s LEU 726 Cb 0.09 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.14 1djh s LEU 726 CO 0.25 -1.42 0.89 -0.54 -1.32 0.00 0.00 176.35 174.20 1djh s LYS 727 N 4.99 4.20 0.42 1.98 -0.14 0.95 -4.91 119.74 127.24 1djh s LYS 727 Ca 0.70 1.01 0.08 0.00 -1.36 0.00 0.00 55.97 56.40 1djh s LYS 727 Cb -0.20 -2.31 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1djh s LYS 727 CO 0.31 0.06 0.58 -0.65 -0.76 0.00 0.00 175.35 174.88 1djh s GLN 728 N -3.00 2.83 1.82 1.68 -0.21 -1.26 -4.72 119.66 116.79 1djh s GLN 728 Ca 0.58 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1djh s GLN 728 Cb -0.10 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1djh s GLN 728 CO 0.15 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 1djh n GLY 729 N -1.87 -0.59 3.72 3.09 0.00 0.99 -4.63 105.19 105.90 1djh n GLY 729 Ca 0.08 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1djh n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djh s TYR 730 N 0.00 3.57 0.18 1.61 2.02 -1.26 -0.62 117.35 122.85 1djh s TYR 730 Ca 0.00 1.14 -0.12 0.00 -0.37 0.00 0.00 57.07 57.73 1djh s TYR 730 Cb 0.00 -2.72 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1djh s TYR 730 CO 0.00 0.14 0.37 1.03 -1.57 0.00 0.00 175.55 175.51 1djh s ARG 731 N 0.65 1.26 -0.08 -0.62 1.81 -0.03 -4.98 118.95 116.97 1djh s ARG 731 Ca 0.34 -1.10 -0.00 0.00 -1.72 0.00 0.00 55.73 53.24 1djh s ARG 731 Cb -0.17 0.43 -0.03 0.00 -0.45 0.00 0.00 34.95 34.72 1djh s ARG 731 CO 0.16 -0.49 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.23 1djh s HIS 732 N -3.95 3.00 -0.32 -0.53 3.76 -0.89 -0.45 115.29 115.92 1djh s HIS 732 Ca 0.16 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.99 1djh s HIS 732 Cb 0.02 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1djh s HIS 732 CO 0.00 0.33 0.20 0.08 -0.85 0.00 0.00 174.74 174.51 1djh s VAL 733 N -0.71 5.08 -0.46 -0.90 1.01 0.18 -1.49 120.40 123.11 1djh s VAL 733 Ca 0.11 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 1djh s VAL 733 Cb -0.11 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1djh s VAL 733 CO 0.02 0.07 0.92 -1.00 0.00 0.00 0.00 175.10 175.11 1djh s HIS 734 N 1.70 2.93 0.30 5.22 3.76 -1.26 -1.13 115.29 126.81 1djh s HIS 734 Ca 0.06 0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 55.07 1djh s HIS 734 Cb -0.17 -3.96 -0.10 0.00 1.11 0.00 0.00 32.58 29.47 1djh s HIS 734 CO 0.09 -1.09 1.14 -0.51 -0.85 0.00 0.00 174.74 173.52 1djh s LEU 735 N 3.74 4.49 0.18 0.89 1.43 -0.77 -4.74 118.68 123.90 1djh s LEU 735 Ca 0.37 2.34 0.08 0.00 -1.03 0.00 0.00 54.13 55.89 1djh s LEU 735 Cb -0.10 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1djh s LEU 735 CO 0.26 -0.26 -0.05 -0.76 0.23 0.00 0.00 176.35 175.77 1djh s LEU 736 N -1.63 3.13 0.82 1.79 1.43 0.24 -1.37 118.68 123.09 1djh s LEU 736 Ca 0.47 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1djh s LEU 736 Cb -0.33 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1djh s LEU 736 CO 0.42 0.09 1.17 -0.94 0.23 0.00 0.00 176.35 177.33 1djh s SER 737 N -2.94 4.19 0.34 2.29 1.04 0.55 -1.51 113.70 117.65 1djh s SER 737 Ca 0.26 0.52 0.14 0.00 0.48 0.00 0.00 55.95 57.34 1djh s SER 737 Cb -0.09 -0.92 1.03 0.00 0.10 0.00 0.00 66.02 66.15 1djh s SER 737 CO 0.17 -2.06 1.69 0.11 0.98 0.00 0.00 173.24 174.13 1djh h LYS 738 N -1.09 0.41 -0.58 4.02 1.57 -1.89 0.17 116.57 119.17 1djh h LYS 738 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1djh h LYS 738 Cb 1.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1djh h LYS 738 CO 0.56 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 179.80 1djh n ASN 739 N -4.95 3.24 0.00 0.86 3.02 -1.26 -4.55 115.26 111.63 1djh n ASN 739 Ca 0.30 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1djh n ASN 739 Cb 0.91 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1djh n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djh n GLY 740 N 1.02 0.64 3.79 7.41 0.00 0.58 -5.01 105.19 113.63 1djh n GLY 740 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1djh n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djh s ASP 741 N -2.43 6.25 0.10 1.61 1.01 -1.26 -4.69 116.67 117.27 1djh s ASP 741 Ca 0.00 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 1djh s ASP 741 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1djh s ASP 741 CO 0.00 -0.85 1.10 -1.10 0.21 0.00 0.00 175.17 174.53 1djh s GLN 742 N -3.06 4.55 -0.60 8.23 -1.52 -1.26 -0.33 119.66 125.66 1djh s GLN 742 Ca 0.67 1.65 -0.19 0.00 -1.95 0.00 0.00 55.36 55.54 1djh s GLN 742 Cb -0.20 -3.34 0.11 0.00 -0.22 0.00 0.00 33.01 29.35 1djh s GLN 742 CO 0.24 -0.03 0.70 -1.01 -0.25 0.00 0.00 175.29 174.94 1djh s HIS 743 N 0.40 3.02 0.24 0.91 3.76 -0.47 -4.90 115.29 118.24 1djh s HIS 743 Ca 0.52 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 1djh s HIS 743 Cb -0.27 -4.01 0.61 0.00 1.11 0.00 0.00 32.58 30.02 1djh s HIS 743 CO 0.31 -1.28 1.17 -0.35 -0.85 0.00 0.00 174.74 173.74 1djh n PRO 744 N 6.25 -0.06 0.00 8.40 -0.04 -1.26 -2.37 135.00 145.92 1djh n PRO 744 Ca -0.09 1.11 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1djh n PRO 744 Cb 0.42 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1djh n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1djh n SER 745 N -5.00 1.41 -4.58 3.54 7.64 -1.26 -5.00 113.62 110.38 1djh n SER 745 Ca 0.19 -1.58 -0.42 0.00 1.01 0.00 0.00 58.87 58.07 1djh n SER 745 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1djh n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djh s ALA 746 N -0.58 3.46 0.21 -0.43 0.00 -1.00 -4.40 121.76 119.03 1djh s ALA 746 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1djh s ALA 746 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1djh s ALA 746 CO 0.00 -1.36 0.14 0.95 0.00 0.00 0.00 175.76 175.49 1djh s THR 747 N 2.80 0.03 0.00 0.00 -4.23 -0.96 -1.84 115.64 111.44 1djh s THR 747 Ca 0.26 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1djh s THR 747 Cb -0.14 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1djh s THR 747 CO 0.15 0.00 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.27 1djh s LEU 748 N -3.19 2.07 -0.21 4.79 1.43 -0.28 -1.51 118.68 121.79 1djh s LEU 748 Ca 0.39 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1djh s LEU 748 Cb 0.07 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1djh s LEU 748 CO 0.13 0.22 0.05 0.12 0.23 0.00 0.00 176.35 177.10 1djh s PHE 749 N -0.56 3.13 0.20 0.29 5.36 0.62 0.52 117.98 127.54 1djh s PHE 749 Ca 0.08 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1djh s PHE 749 Cb -0.08 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 1djh s PHE 749 CO -0.00 -0.12 0.09 0.14 -1.46 0.00 0.00 175.22 173.87 1djh s VAL 750 N 0.95 0.27 -0.17 3.12 -7.23 0.41 -1.59 120.40 116.16 1djh s VAL 750 Ca 0.03 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1djh s VAL 750 Cb -0.14 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1djh s VAL 750 CO 0.03 -0.15 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.85 1djh s LYS 751 N -4.07 1.53 -0.03 4.82 2.20 -0.89 -0.85 119.74 122.45 1djh s LYS 751 Ca 0.34 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 1djh s LYS 751 Cb 0.07 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 1djh s LYS 751 CO 0.09 -0.42 -0.05 0.42 -0.36 0.00 0.00 175.35 175.03 1djh s ILE 752 N 1.60 3.79 -0.12 5.43 1.01 0.21 -1.86 121.20 131.26 1djh s ILE 752 Ca 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1djh s ILE 752 Cb -0.15 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.75 1djh s ILE 752 CO -0.08 0.48 0.28 -0.55 0.00 0.00 0.00 174.94 175.07 1djh s SER 753 N -1.18 -0.27 -0.15 3.58 0.15 -0.83 -0.01 113.70 114.99 1djh s SER 753 Ca 0.15 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.42 1djh s SER 753 Cb -0.11 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1djh s SER 753 CO 0.05 -0.18 -0.21 -0.63 1.20 0.00 0.00 173.24 173.48 1djh s ILE 754 N 1.37 2.14 0.38 6.45 1.01 -1.26 -0.68 121.20 130.61 1djh s ILE 754 Ca -0.09 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.68 1djh s ILE 754 Cb -0.10 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1djh s ILE 754 CO -0.09 0.54 0.23 0.00 0.00 0.00 0.00 174.94 175.62 1djh s GLN 755 N 0.94 1.88 0.00 2.79 -2.07 -0.18 -4.95 119.66 118.07 1djh s GLN 755 Ca -0.04 -2.13 0.28 0.00 -1.82 0.00 0.00 55.36 51.65 1djh s GLN 755 Cb -0.15 -0.05 1.00 0.00 -1.09 0.00 0.00 33.01 32.72 1djh s GLN 755 CO -0.04 -0.61 1.72 -0.25 -1.32 0.00 0.00 175.29 174.78