#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvp h MET -1 N 0.00 0.00 -0.04 4.33 -0.00 -1.89 0.67 114.93 118.00 3gvp h MET -1 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 3gvp h MET -1 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3gvp h MET -1 CO 0.00 0.07 0.07 0.87 -0.00 0.00 0.00 176.91 177.92 3gvp h LYS 175 N 0.00 0.00 -2.91 -0.10 1.57 -1.93 -3.28 116.57 109.92 3gvp h LYS 175 Ca -0.00 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.01 3gvp h LYS 175 Cb 0.17 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.29 3gvp h LYS 175 CO 0.01 0.00 1.81 1.04 -0.57 0.00 0.00 179.45 181.74 3gvp n GLN 176 N -3.53 4.38 -4.08 3.15 1.13 0.23 -4.93 117.38 113.73 3gvp n GLN 176 Ca -0.02 -3.84 -0.14 0.00 -1.94 0.00 0.00 57.00 51.06 3gvp n GLN 176 Cb 0.16 -2.69 -0.12 0.00 0.11 0.00 0.00 30.24 27.70 3gvp n GLN 176 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3gvp s GLN 177 N -1.38 0.53 0.07 -1.09 -0.21 -1.24 -4.99 119.66 111.34 3gvp s GLN 177 Ca 0.43 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 55.17 3gvp s GLN 177 Cb 0.13 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 3gvp s GLN 177 CO -0.03 0.06 -0.16 0.15 -2.12 0.00 0.00 175.29 173.19 3gvp s LYS 178 N -1.41 0.92 0.83 2.91 1.02 -1.26 -4.32 119.74 118.43 3gvp s LYS 178 Ca -0.08 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 3gvp s LYS 178 Cb -0.09 -0.98 0.16 0.00 -0.52 0.00 0.00 37.83 36.39 3gvp s LYS 178 CO 0.00 0.23 1.14 0.54 -0.92 0.00 0.00 175.35 176.35 3gvp s ASN 179 N -1.61 3.82 0.56 2.83 2.20 -0.18 -4.92 114.94 117.65 3gvp s ASN 179 Ca 0.01 -0.03 0.24 0.00 -0.94 0.00 0.00 52.86 52.13 3gvp s ASN 179 Cb -0.09 -0.21 1.58 0.00 -2.00 0.00 0.00 41.25 40.52 3gvp s ASN 179 CO 0.02 -2.24 2.20 0.77 -2.94 0.00 0.00 177.10 174.91 3gvp h SER 180 N -1.04 0.00 -0.02 3.54 4.64 -1.90 0.32 113.55 119.09 3gvp h SER 180 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3gvp h SER 180 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gvp h SER 180 CO 0.40 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.65 3gvp n LYS 181 N -4.15 1.12 -0.25 4.77 4.01 -1.26 -4.93 118.16 117.46 3gvp n LYS 181 Ca -0.03 -0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 3gvp n LYS 181 Cb 0.11 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 3gvp n LYS 181 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gvp n GLY 182 N 0.85 1.89 3.78 0.72 0.00 0.10 -5.03 105.19 107.51 3gvp n GLY 182 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3gvp n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvp s SER 183 N -3.39 6.16 -0.08 1.61 0.15 -1.26 -4.74 113.70 112.15 3gvp s SER 183 Ca 0.00 2.12 0.11 0.00 0.70 0.00 0.00 55.95 58.88 3gvp s SER 183 Cb 0.00 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 61.90 3gvp s SER 183 CO 0.00 -0.91 1.07 -1.54 1.20 0.00 0.00 173.24 173.06 3gvp n SER 184 N -0.82 1.58 -3.87 5.45 3.41 -1.26 -1.01 113.62 117.10 3gvp n SER 184 Ca 0.09 -2.61 -0.42 0.00 -0.26 0.00 0.00 58.87 55.67 3gvp n SER 184 Cb 0.50 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3gvp n SER 184 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gvp n ASP 185 N -0.90 4.11 -3.60 4.04 2.03 -1.26 -4.73 116.55 116.23 3gvp n ASP 185 Ca 0.10 -2.87 0.02 0.00 0.52 0.00 0.00 54.79 52.55 3gvp n ASP 185 Cb 0.62 -1.66 -0.00 0.00 -0.72 0.00 0.00 41.12 39.35 3gvp n ASP 185 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3gvp s PHE 186 N 3.17 -0.03 -0.27 -0.67 -0.12 -1.26 -4.00 117.98 114.80 3gvp s PHE 186 Ca 0.48 -0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 57.32 3gvp s PHE 186 Cb 0.12 0.53 0.14 0.00 -0.63 0.00 0.00 43.02 43.18 3gvp s PHE 186 CO -0.06 -0.18 0.37 0.00 -0.05 0.00 0.00 175.22 175.30 3gvp s VAL 188 N 2.51 1.69 0.06 0.00 -7.23 -1.26 -1.52 120.40 114.64 3gvp s VAL 188 Ca 0.11 -2.17 -0.24 0.00 -1.81 0.00 0.00 61.98 57.87 3gvp s VAL 188 Cb -0.14 -2.27 -0.16 0.00 0.56 0.00 0.00 36.38 34.37 3gvp s VAL 188 CO -0.25 -0.43 1.62 0.50 -0.31 0.00 0.00 175.10 176.23 3gvp h LYS 189 N 2.40 -0.01 -1.59 4.82 1.63 -1.88 -3.43 116.57 118.51 3gvp h LYS 189 Ca -0.39 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.24 3gvp h LYS 189 Cb 1.23 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.59 3gvp h LYS 189 CO 0.65 0.12 -0.53 1.21 -3.45 0.00 0.00 179.45 177.45 3gvp s ASN 190 N -5.31 0.07 0.64 4.20 2.47 -1.26 -4.85 114.94 110.90 3gvp s ASN 190 Ca -0.14 -0.49 0.31 0.00 0.42 0.00 0.00 52.86 52.96 3gvp s ASN 190 Cb 0.05 1.23 1.66 0.00 -1.45 0.00 0.00 41.25 42.73 3gvp s ASN 190 CO 0.66 -0.32 1.97 -0.29 -3.72 0.00 0.00 177.10 175.40 3gvp h ILE 191 N 5.92 0.14 0.00 -5.21 6.09 -1.92 -0.01 117.51 122.51 3gvp h ILE 191 Ca -0.05 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 3gvp h ILE 191 Cb 1.13 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.12 3gvp h ILE 191 CO 0.23 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.60 3gvp n LYS 192 N -3.19 0.20 0.00 2.19 4.76 -1.26 -2.30 118.16 118.56 3gvp n LYS 192 Ca 0.01 0.33 0.10 0.00 -2.87 0.00 0.00 58.31 55.87 3gvp n LYS 192 Cb 0.41 -1.82 0.56 0.00 -1.84 0.00 0.00 35.03 32.34 3gvp n LYS 192 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3gvp n GLN 193 N -2.19 0.56 -0.34 1.97 6.02 -0.02 -4.34 117.38 119.04 3gvp n GLN 193 Ca 0.03 0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 57.03 3gvp n GLN 193 Cb 0.30 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.18 3gvp n GLN 193 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gvp h ALA 194 N 3.16 1.22 -0.28 -1.58 0.00 -1.67 -1.48 119.26 118.63 3gvp h ALA 194 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3gvp h ALA 194 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3gvp h ALA 194 CO 0.00 0.49 -0.37 1.49 0.00 0.00 0.00 179.25 180.86 3gvp h GLU 195 N 1.18 0.74 -0.74 0.00 4.81 -1.86 0.35 114.58 119.06 3gvp h GLU 195 Ca 0.36 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3gvp h GLU 195 Cb -0.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3gvp h GLU 195 CO -0.11 1.05 0.48 0.35 -0.73 0.00 0.00 179.01 180.05 3gvp h PHE 196 N 0.48 0.94 -0.49 0.92 3.57 -1.81 -2.44 116.94 118.11 3gvp h PHE 196 Ca 0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3gvp h PHE 196 Cb 0.96 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3gvp h PHE 196 CO 0.08 0.60 0.07 0.78 -2.23 0.00 0.00 178.31 177.61 3gvp h GLY 197 N 1.01 0.83 1.49 2.40 0.00 -0.85 -2.43 103.07 105.52 3gvp h GLY 197 Ca 0.27 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 3gvp h GLY 197 CO -0.06 0.47 -0.29 -0.09 0.00 0.00 0.00 176.54 176.57 3gvp h ARG 198 N 0.74 0.58 -0.42 4.80 9.65 -0.65 -1.34 114.38 127.73 3gvp h ARG 198 Ca 0.16 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3gvp h ARG 198 Cb 0.34 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 3gvp h ARG 198 CO 0.01 0.81 0.22 0.00 2.80 0.00 0.00 179.97 183.80 3gvp h ARG 199 N 0.50 0.60 -0.37 0.20 3.08 -1.18 -0.77 114.38 116.44 3gvp h ARG 199 Ca 0.06 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3gvp h ARG 199 Cb 0.75 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3gvp h ARG 199 CO 0.06 0.49 0.04 0.93 -1.07 0.00 0.00 179.97 180.43 3gvp h GLU 200 N 0.55 0.57 -0.40 0.04 5.08 -1.13 -2.09 114.58 117.19 3gvp h GLU 200 Ca 0.15 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3gvp h GLU 200 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3gvp h GLU 200 CO -0.02 0.56 -0.03 0.82 -1.00 0.00 0.00 179.01 179.33 3gvp h ILE 201 N 0.55 1.27 -0.79 3.13 2.04 -0.96 -1.85 117.51 120.89 3gvp h ILE 201 Ca 0.12 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.98 3gvp h ILE 201 Cb 0.28 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3gvp h ILE 201 CO 0.00 0.36 0.46 -0.33 0.00 0.00 0.00 178.15 178.65 3gvp h GLU 202 N 0.56 0.80 -0.23 2.37 5.08 -0.87 -0.78 114.58 121.51 3gvp h GLU 202 Ca 0.11 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3gvp h GLU 202 Cb 0.53 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3gvp h GLU 202 CO 0.03 0.53 0.09 0.82 -1.00 0.00 0.00 179.01 179.47 3gvp h ILE 203 N 0.82 0.95 -0.86 3.13 1.08 -1.19 -2.63 117.51 118.81 3gvp h ILE 203 Ca 0.36 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.76 3gvp h ILE 203 Cb 0.25 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3gvp h ILE 203 CO -0.21 0.04 0.53 0.00 -0.69 0.00 0.00 178.15 177.82 3gvp h ALA 204 N 1.14 1.31 -0.92 1.87 0.00 -0.68 -2.30 119.26 119.67 3gvp h ALA 204 Ca 0.10 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gvp h ALA 204 Cb 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 3gvp h ALA 204 CO -0.09 0.60 0.59 0.93 0.00 0.00 0.00 179.25 181.28 3gvp h GLU 205 N 1.19 1.05 0.00 0.00 5.08 -0.94 -1.16 114.58 119.80 3gvp h GLU 205 Ca 0.31 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3gvp h GLU 205 Cb -0.07 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3gvp h GLU 205 CO -0.06 0.70 -0.37 1.96 -1.00 0.00 0.00 179.01 180.23 3gvp h GLN 206 N 1.08 0.00 -0.01 2.33 4.20 -1.07 -2.68 115.11 118.96 3gvp h GLN 206 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3gvp h GLN 206 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gvp h GLN 206 CO -0.16 0.37 -0.18 0.39 -0.67 0.00 0.00 178.83 178.58 3gvp n GLU 207 N -3.45 0.72 -2.93 1.46 1.02 -0.85 -4.40 120.64 112.21 3gvp n GLU 207 Ca 0.00 -0.34 -0.25 0.00 -0.02 0.00 0.00 57.16 56.56 3gvp n GLU 207 Cb 0.54 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 3gvp n GLU 207 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3gvp n MET 208 N -0.84 2.77 0.16 3.49 2.81 -0.50 -4.57 117.12 120.44 3gvp n MET 208 Ca 0.13 -4.50 0.11 0.00 -1.81 0.00 0.00 57.70 51.64 3gvp n MET 208 Cb 0.31 -2.11 0.63 0.00 -0.71 0.00 0.00 33.22 31.35 3gvp n MET 208 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3gvp h PRO 209 N 2.94 0.05 -0.09 0.03 0.13 -1.77 -1.85 132.00 131.44 3gvp h PRO 209 Ca 0.14 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 3gvp h PRO 209 Cb 0.66 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3gvp h PRO 209 CO 0.75 0.04 -0.61 0.00 -0.23 0.00 0.00 178.00 177.95 3gvp h ALA 210 N 1.90 0.80 -0.15 -0.56 0.00 -1.91 0.33 119.26 119.66 3gvp h ALA 210 Ca 0.09 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 3gvp h ALA 210 Cb 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gvp h ALA 210 CO -0.01 0.72 -0.79 1.25 0.00 0.00 0.00 179.25 180.43 3gvp h LEU 211 N 0.23 0.93 -1.08 0.00 5.85 -1.69 -0.08 115.31 119.45 3gvp h LEU 211 Ca -0.01 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.06 3gvp h LEU 211 Cb 1.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3gvp h LEU 211 CO 0.10 1.41 0.18 0.24 -0.34 0.00 0.00 178.44 180.03 3gvp h MET 212 N 0.53 0.83 -0.46 1.25 2.86 -1.15 -0.49 114.93 118.31 3gvp h MET 212 Ca -0.06 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 3gvp h MET 212 Cb 1.42 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3gvp h MET 212 CO 0.16 0.72 -0.10 0.00 1.06 0.00 0.00 176.91 178.75 3gvp h ALA 213 N 1.39 0.63 -0.24 6.32 0.00 -0.19 -1.49 119.26 125.68 3gvp h ALA 213 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gvp h ALA 213 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gvp h ALA 213 CO -0.01 0.52 0.09 1.25 0.00 0.00 0.00 179.25 181.10 3gvp h LEU 214 N 0.72 0.34 -0.23 0.00 5.85 -0.75 -1.42 115.31 119.81 3gvp h LEU 214 Ca 0.12 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3gvp h LEU 214 Cb 0.64 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3gvp h LEU 214 CO 0.04 0.43 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.09 3gvp h ARG 215 N 0.23 -0.39 -0.48 1.25 2.43 -0.95 -1.18 114.38 115.28 3gvp h ARG 215 Ca 0.08 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3gvp h ARG 215 Cb 0.20 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3gvp h ARG 215 CO -0.01 -0.26 0.25 -0.22 -1.51 0.00 0.00 179.97 178.22 3gvp h LYS 216 N -0.41 0.69 -0.80 0.20 3.64 -1.14 -1.11 116.57 117.64 3gvp h LYS 216 Ca 0.11 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3gvp h LYS 216 Cb 0.59 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3gvp h LYS 216 CO -0.45 0.56 0.51 -0.09 -2.27 0.00 0.00 179.45 177.71 3gvp h ARG 217 N 0.64 0.96 0.00 1.90 9.65 -0.98 -3.32 114.38 123.22 3gvp h ARG 217 Ca 0.17 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3gvp h ARG 217 Cb 0.09 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3gvp h ARG 217 CO -0.02 0.63 -1.52 0.00 2.80 0.00 0.00 179.97 181.86 3gvp n ALA 218 N -2.33 3.51 -0.02 2.80 0.00 -0.47 -4.57 120.51 119.43 3gvp n ALA 218 Ca 0.10 -0.52 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 3gvp n ALA 218 Cb 0.09 -0.80 0.14 0.00 0.00 0.00 0.00 19.45 18.89 3gvp n ALA 218 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3gvp h GLN 219 N 0.00 0.59 -0.69 0.00 3.07 -1.31 -3.20 115.11 113.57 3gvp h GLN 219 Ca 0.00 -0.25 0.09 0.00 0.09 0.00 0.00 58.65 58.58 3gvp h GLN 219 Cb 0.80 -0.02 -0.07 0.00 0.08 0.00 0.00 27.48 28.27 3gvp h GLN 219 CO 0.00 0.82 0.34 0.78 0.09 0.00 0.00 178.83 180.86 3gvp h GLY 220 N 1.02 1.02 0.92 0.06 0.00 -1.80 -1.38 103.07 102.91 3gvp h GLY 220 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3gvp h GLY 220 CO 0.06 0.06 -0.00 1.18 0.00 0.00 0.00 176.54 177.84 3gvp n GLU 221 N -4.87 1.00 -4.05 4.80 -0.58 -1.21 -4.95 120.64 110.78 3gvp n GLU 221 Ca 0.10 -0.08 -0.40 0.00 -0.42 0.00 0.00 57.16 56.36 3gvp n GLU 221 Cb 0.26 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.64 3gvp n GLU 221 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gvp n LYS 222 N -0.93 -0.36 0.00 3.49 4.76 -0.52 -4.81 118.16 119.80 3gvp n LYS 222 Ca 0.23 -0.02 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 3gvp n LYS 222 Cb 0.14 -2.09 0.34 0.00 -1.84 0.00 0.00 35.03 31.58 3gvp n LYS 222 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3gvp n PRO 223 N -4.53 0.24 -0.20 1.97 -0.04 -1.08 -1.37 135.00 130.00 3gvp n PRO 223 Ca -0.11 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 3gvp n PRO 223 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 3gvp n PRO 223 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gvp n LEU 224 N -1.22 2.91 -4.68 1.53 4.77 0.23 -4.76 117.00 115.78 3gvp n LEU 224 Ca 0.07 -2.74 -0.44 0.00 -0.03 0.00 0.00 56.01 52.87 3gvp n LEU 224 Cb 0.09 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3gvp n LEU 224 CO 0.09 0.67 1.42 0.00 -1.33 0.00 0.00 177.39 178.24 3gvp n ALA 225 N -0.69 1.77 -0.31 -1.18 0.00 -0.47 -0.39 120.51 119.24 3gvp n ALA 225 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3gvp n ALA 225 Cb 0.63 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3gvp n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvp n GLY 226 N 4.09 1.48 3.74 0.00 0.00 -1.26 -5.00 105.19 108.24 3gvp n GLY 226 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gvp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvp s ALA 227 N -2.99 3.45 -0.37 4.61 0.00 0.48 -4.93 121.76 121.99 3gvp s ALA 227 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3gvp s ALA 227 Cb 0.00 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.81 3gvp s ALA 227 CO 0.00 -0.40 0.16 0.15 0.00 0.00 0.00 175.76 175.68 3gvp s LYS 228 N -0.19 1.02 -0.18 0.00 1.02 -1.26 -1.29 119.74 118.86 3gvp s LYS 228 Ca 0.53 -1.56 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 3gvp s LYS 228 Cb -0.33 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 3gvp s LYS 228 CO 0.37 -1.07 0.08 0.42 -0.92 0.00 0.00 175.35 174.22 3gvp s ILE 229 N 0.98 4.93 -0.15 2.17 1.01 0.11 -1.15 121.20 129.10 3gvp s ILE 229 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 3gvp s ILE 229 Cb -0.21 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3gvp s ILE 229 CO -0.11 0.47 -0.06 0.68 0.00 0.00 0.00 174.94 175.92 3gvp s VAL 230 N 0.21 3.67 0.03 2.92 -7.23 -0.59 -1.19 120.40 118.22 3gvp s VAL 230 Ca 0.05 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 3gvp s VAL 230 Cb -0.12 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3gvp s VAL 230 CO 0.00 0.50 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.27 3gvp s GLY 231 N 0.37 1.01 -0.32 2.32 0.00 -0.20 -1.34 107.32 109.15 3gvp s GLY 231 Ca -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 3gvp s GLY 231 CO 0.04 -0.88 0.12 0.00 0.00 0.00 0.00 173.10 172.37 3gvp n THR 233 N 4.78 0.00 -2.40 0.00 -2.24 -1.00 -1.05 114.28 112.37 3gvp n THR 233 Ca -0.01 -1.26 -0.41 0.00 -2.27 0.00 0.00 64.05 60.10 3gvp n THR 233 Cb 0.41 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 3gvp n THR 233 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gvp s HIS 234 N -3.35 3.46 -1.15 4.78 3.76 -1.26 -1.82 115.29 119.71 3gvp s HIS 234 Ca 0.21 1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 56.47 3gvp s HIS 234 Cb 0.00 -3.40 0.25 0.00 1.11 0.00 0.00 32.58 30.54 3gvp s HIS 234 CO 0.15 -1.09 1.22 -0.89 -0.85 0.00 0.00 174.74 173.28 3gvp n ILE 235 N 2.46 4.48 -4.35 0.60 2.08 -1.26 -4.64 119.36 118.73 3gvp n ILE 235 Ca 0.04 -5.19 -0.28 0.00 0.56 0.00 0.00 62.75 57.89 3gvp n ILE 235 Cb 0.45 -2.55 -0.07 0.00 -0.75 0.00 0.00 39.64 36.72 3gvp n ILE 235 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3gvp s THR 236 N -0.42 1.82 0.33 1.39 -4.23 -1.26 -1.38 115.64 111.90 3gvp s THR 236 Ca 0.35 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3gvp s THR 236 Cb -0.08 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.37 3gvp s THR 236 CO -0.05 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 175.97 3gvp h ALA 237 N 1.35 1.44 -0.34 3.99 0.00 -1.93 -1.37 119.26 122.39 3gvp h ALA 237 Ca -0.42 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3gvp h ALA 237 Cb 1.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gvp h ALA 237 CO 0.71 0.45 -0.30 1.96 0.00 0.00 0.00 179.25 182.07 3gvp h GLN 238 N 0.81 0.81 -0.72 0.00 7.50 -1.93 -2.44 115.11 119.14 3gvp h GLN 238 Ca 0.20 -0.41 -0.02 0.00 0.50 0.00 0.00 58.65 58.92 3gvp h GLN 238 Cb 0.05 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.55 3gvp h GLN 238 CO -0.03 1.05 0.37 1.15 -1.50 0.00 0.00 178.83 179.86 3gvp h THR 239 N 0.59 1.22 -0.92 -0.54 2.02 -1.71 -2.11 112.91 111.46 3gvp h THR 239 Ca 0.06 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3gvp h THR 239 Cb 0.88 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3gvp h THR 239 CO 0.08 0.25 0.61 0.00 0.37 0.00 0.00 175.52 176.83 3gvp h ALA 240 N 1.40 1.38 -0.53 6.16 0.00 -0.97 -0.08 119.26 126.62 3gvp h ALA 240 Ca 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3gvp h ALA 240 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gvp h ALA 240 CO -0.04 0.56 0.08 0.28 0.00 0.00 0.00 179.25 180.13 3gvp h VAL 241 N 1.20 1.24 -0.12 0.00 2.07 -0.93 -0.66 116.25 119.05 3gvp h VAL 241 Ca 0.35 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3gvp h VAL 241 Cb -0.07 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3gvp h VAL 241 CO -0.09 0.33 0.04 0.25 0.02 0.00 0.00 177.57 178.12 3gvp h LEU 242 N 0.80 0.17 -0.39 2.57 5.85 -0.91 -1.99 115.31 121.41 3gvp h LEU 242 Ca 0.17 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3gvp h LEU 242 Cb 0.36 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3gvp h LEU 242 CO 0.01 0.31 0.13 0.24 -0.34 0.00 0.00 178.44 178.79 3gvp h MET 243 N 0.03 0.28 0.00 1.25 2.86 -0.78 -0.08 114.93 118.48 3gvp h MET 243 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3gvp h MET 243 Cb 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3gvp h MET 243 CO -0.00 0.18 -0.03 0.93 1.06 0.00 0.00 176.91 179.05 3gvp h GLU 244 N 0.29 0.00 -0.10 1.72 5.08 -1.15 -1.17 114.58 119.25 3gvp h GLU 244 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3gvp h GLU 244 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gvp h GLU 244 CO -0.19 0.03 -0.27 1.15 -1.00 0.00 0.00 179.01 178.73 3gvp h THR 245 N 0.00 1.40 -0.35 1.13 2.02 -0.50 -1.02 112.91 115.59 3gvp h THR 245 Ca -0.00 -1.59 0.05 0.00 0.77 0.00 0.00 66.41 65.63 3gvp h THR 245 Cb 0.58 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 3gvp h THR 245 CO 0.00 0.46 0.09 -0.07 0.37 0.00 0.00 175.52 176.38 3gvp h LEU 246 N -0.09 0.06 -0.49 2.58 3.38 -0.55 -1.03 115.31 119.19 3gvp h LEU 246 Ca -0.01 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3gvp h LEU 246 Cb 0.88 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3gvp h LEU 246 CO 0.06 0.07 0.08 1.23 0.09 0.00 0.00 178.44 179.97 3gvp h GLY 247 N 0.22 0.57 2.00 0.83 0.00 -1.25 -1.06 103.07 104.38 3gvp h GLY 247 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3gvp h GLY 247 CO -0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 176.54 176.21 3gvp h ALA 248 N 1.39 1.78 -0.01 3.60 0.00 -0.53 -1.48 119.26 124.01 3gvp h ALA 248 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gvp h ALA 248 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gvp h ALA 248 CO -0.34 0.07 -0.01 1.28 0.00 0.00 0.00 179.25 180.26 3gvp n LEU 249 N -4.28 0.98 0.00 0.00 4.77 -0.45 -4.71 117.00 113.31 3gvp n LEU 249 Ca -0.03 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3gvp n LEU 249 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3gvp n LEU 249 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3gvp n GLY 250 N 1.12 0.87 3.82 -0.72 0.00 -0.56 -0.60 105.19 109.13 3gvp n GLY 250 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3gvp n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvp s ALA 251 N -2.00 2.77 -0.10 4.61 0.00 -0.45 -3.90 121.76 122.69 3gvp s ALA 251 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3gvp s ALA 251 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3gvp s ALA 251 CO 0.00 -1.01 -0.14 -0.65 0.00 0.00 0.00 175.76 173.96 3gvp s GLN 252 N -4.80 3.08 0.03 0.00 -0.21 -0.41 -4.28 119.66 113.07 3gvp s GLN 252 Ca 0.59 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 55.33 3gvp s GLN 252 Cb -0.14 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 3gvp s GLN 252 CO 0.50 0.35 -0.16 0.00 -2.12 0.00 0.00 175.29 173.86 3gvp s ARG 254 N -1.05 1.04 -0.04 0.00 0.52 -0.34 -4.17 118.95 114.91 3gvp s ARG 254 Ca 0.03 -1.12 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 3gvp s ARG 254 Cb -0.08 -1.19 0.02 0.00 0.52 0.00 0.00 34.95 34.22 3gvp s ARG 254 CO 0.01 0.27 0.25 -0.46 0.02 0.00 0.00 175.30 175.39 3gvp s TRP 255 N -1.32 -0.17 0.11 -0.53 -0.11 -0.66 -1.04 118.94 115.23 3gvp s TRP 255 Ca 0.05 0.34 0.00 0.00 1.22 0.00 0.00 56.10 57.71 3gvp s TRP 255 Cb -0.09 0.06 -0.04 0.00 -1.50 0.00 0.00 33.47 31.89 3gvp s TRP 255 CO 0.04 -0.26 -0.01 0.00 -4.62 0.00 0.00 176.95 172.09 3gvp s ALA 256 N -0.75 0.89 0.36 5.86 0.00 -0.11 -1.48 121.76 126.53 3gvp s ALA 256 Ca -0.08 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 3gvp s ALA 256 Cb -0.04 0.43 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 3gvp s ALA 256 CO 0.02 -0.35 1.02 0.00 0.00 0.00 0.00 175.76 176.46 3gvp s ALA 257 N -3.81 3.16 -2.55 0.00 0.00 -1.24 -2.37 121.76 114.95 3gvp s ALA 257 Ca 0.16 0.67 0.27 0.00 0.00 0.00 0.00 51.96 53.05 3gvp s ALA 257 Cb 0.07 -3.25 0.90 0.00 0.00 0.00 0.00 23.12 20.83 3gvp s ALA 257 CO -0.03 -0.09 1.66 0.00 0.00 0.00 0.00 175.76 177.30 3gvp s ASN 259 N -1.96 -0.39 0.17 0.00 3.84 -1.26 -5.01 114.94 110.33 3gvp s ASN 259 Ca 0.36 0.65 0.26 0.00 0.21 0.00 0.00 52.86 54.34 3gvp s ASN 259 Cb 0.21 0.70 0.90 0.00 -0.55 0.00 0.00 41.25 42.51 3gvp s ASN 259 CO 0.32 -0.25 1.79 2.30 -2.79 0.00 0.00 177.10 178.47 3gvp n ILE 260 N 2.32 0.53 -0.01 -5.21 -5.35 -1.26 -3.89 119.36 106.48 3gvp n ILE 260 Ca -0.16 -0.17 0.03 0.00 -0.27 0.00 0.00 62.75 62.18 3gvp n ILE 260 Cb 0.57 -0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 37.75 3gvp n ILE 260 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3gvp n TYR 261 N -2.11 0.00 0.80 4.28 4.01 -1.26 -0.72 117.16 122.15 3gvp n TYR 261 Ca 0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 3gvp n TYR 261 Cb 0.39 -0.27 0.44 0.00 -0.31 0.00 0.00 39.34 39.59 3gvp n TYR 261 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3gvp n SER 262 N -1.94 0.46 -4.71 7.72 3.41 -1.25 -4.54 113.62 112.77 3gvp n SER 262 Ca -0.04 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 3gvp n SER 262 Cb 0.36 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3gvp n SER 262 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvp s THR 263 N -3.06 2.81 -0.53 6.66 2.01 -1.26 -4.60 115.64 117.66 3gvp s THR 263 Ca 0.11 0.49 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 3gvp s THR 263 Cb 0.15 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.39 3gvp s THR 263 CO 0.60 0.02 0.96 -0.76 -0.69 0.00 0.00 174.62 174.75 3gvp s LEU 264 N 1.68 4.02 0.22 4.42 1.02 -0.48 -4.11 118.68 125.46 3gvp s LEU 264 Ca 0.71 -0.20 -0.08 0.00 0.02 0.00 0.00 54.13 54.58 3gvp s LEU 264 Cb -0.42 -2.95 0.24 0.00 0.02 0.00 0.00 46.19 43.08 3gvp s LEU 264 CO 0.31 -1.20 1.86 0.78 0.02 0.00 0.00 176.35 178.12 3gvp h ASN 265 N 9.27 0.82 -0.28 2.29 2.35 -1.93 -1.29 115.58 126.81 3gvp h ASN 265 Ca -0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3gvp h ASN 265 Cb 1.07 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 3gvp h ASN 265 CO 1.08 0.56 0.16 1.05 -1.65 0.00 0.00 177.43 178.63 3gvp h GLU 266 N 0.96 0.42 -0.07 0.81 9.09 -1.92 0.94 114.58 124.82 3gvp h GLU 266 Ca 0.32 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 59.63 3gvp h GLU 266 Cb 0.04 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.05 3gvp h GLU 266 CO -0.12 0.32 -0.20 0.28 0.05 0.00 0.00 179.01 179.34 3gvp h VAL 267 N 0.43 1.43 -0.86 -1.06 2.07 -1.55 -1.33 116.25 115.38 3gvp h VAL 267 Ca 0.11 -1.57 0.18 0.00 0.82 0.00 0.00 66.70 66.24 3gvp h VAL 267 Cb 0.03 2.27 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 3gvp h VAL 267 CO -0.02 0.44 0.38 0.00 0.02 0.00 0.00 177.57 178.40 3gvp h ALA 268 N 0.45 1.31 -0.29 1.67 0.00 -0.87 -0.25 119.26 121.28 3gvp h ALA 268 Ca -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gvp h ALA 268 Cb 0.82 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3gvp h ALA 268 CO 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 179.25 178.99 3gvp h ALA 269 N 1.63 0.40 -0.75 0.00 0.00 -0.64 -1.37 119.26 118.54 3gvp h ALA 269 Ca 0.50 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3gvp h ALA 269 Cb 0.85 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3gvp h ALA 269 CO -0.46 0.22 0.46 0.00 0.00 0.00 0.00 179.25 179.47 3gvp h ALA 270 N 0.79 0.99 -0.40 0.00 0.00 -0.64 -0.21 119.26 119.80 3gvp h ALA 270 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gvp h ALA 270 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gvp h ALA 270 CO 0.03 0.23 0.06 -0.07 0.00 0.00 0.00 179.25 179.50 3gvp h LEU 271 N 0.89 0.64 -0.44 0.00 3.38 -0.93 -1.54 115.31 117.30 3gvp h LEU 271 Ca 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gvp h LEU 271 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3gvp h LEU 271 CO -0.13 0.74 0.20 0.00 0.09 0.00 0.00 178.44 179.34 3gvp h ALA 272 N 0.92 0.57 -0.62 1.53 0.00 -0.96 -0.16 119.26 120.55 3gvp h ALA 272 Ca 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gvp h ALA 272 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gvp h ALA 272 CO 0.01 0.16 0.41 1.49 0.00 0.00 0.00 179.25 181.32 3gvp h GLU 273 N 0.57 0.71 0.00 0.00 4.57 -0.98 -1.31 114.58 118.14 3gvp h GLU 273 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3gvp h GLU 273 Cb 0.16 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3gvp h GLU 273 CO -0.02 0.47 0.00 0.43 -1.18 0.00 0.00 179.01 178.72 3gvp n SER 274 N -4.46 0.00 0.00 1.04 7.64 -0.59 -4.77 113.62 112.48 3gvp n SER 274 Ca 0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3gvp n SER 274 Cb 0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3gvp n SER 274 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gvp n GLY 275 N 1.38 1.23 3.67 0.23 0.00 -0.49 -5.07 105.19 106.13 3gvp n GLY 275 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3gvp n GLY 275 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gvp s PHE 276 N -2.00 3.44 -0.56 1.61 0.08 -0.14 -4.99 117.98 115.42 3gvp s PHE 276 Ca 0.00 1.37 -0.27 0.00 0.12 0.00 0.00 56.93 58.15 3gvp s PHE 276 Cb 0.00 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 3gvp s PHE 276 CO 0.00 -0.25 1.97 -2.14 -0.10 0.00 0.00 175.22 174.70 3gvp s PRO 277 N 2.17 2.57 -0.05 0.24 0.02 -1.26 -3.89 135.00 134.81 3gvp s PRO 277 Ca 0.42 0.84 0.05 0.00 0.02 0.00 0.00 61.00 62.33 3gvp s PRO 277 Cb -0.17 -4.41 -0.01 0.00 0.02 0.00 0.00 34.50 29.93 3gvp s PRO 277 CO 0.13 -2.78 -0.22 0.08 -0.33 0.00 0.00 177.00 173.89 3gvp s VAL 278 N 9.56 1.83 -0.36 3.83 1.01 -1.26 -1.65 120.40 133.36 3gvp s VAL 278 Ca 0.75 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3gvp s VAL 278 Cb -0.14 -1.55 0.11 0.00 0.00 0.00 0.00 36.38 34.79 3gvp s VAL 278 CO 0.23 0.51 0.12 -0.36 0.00 0.00 0.00 175.10 175.60 3gvp s PHE 279 N -0.07 2.41 -0.29 5.22 0.08 -0.55 -0.40 117.98 124.37 3gvp s PHE 279 Ca -0.04 -2.30 -0.19 0.00 0.12 0.00 0.00 56.93 54.51 3gvp s PHE 279 Cb -0.13 -2.14 0.15 0.00 -0.57 0.00 0.00 43.02 40.33 3gvp s PHE 279 CO 0.03 -0.87 1.08 0.00 -0.10 0.00 0.00 175.22 175.36 3gvp s ALA 280 N 1.06 -2.26 0.15 5.36 0.00 -0.58 -3.73 121.76 121.77 3gvp s ALA 280 Ca 0.12 2.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.96 3gvp s ALA 280 Cb -0.20 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3gvp s ALA 280 CO -0.14 -0.29 0.45 1.67 0.00 0.00 0.00 175.76 177.45 3gvp s TRP 281 N 0.90 -0.16 0.28 0.00 -2.14 -1.26 -4.38 118.94 112.17 3gvp s TRP 281 Ca -0.04 -0.16 -0.29 0.00 2.66 0.00 0.00 56.10 58.26 3gvp s TRP 281 Cb -0.04 0.31 -0.10 0.00 -3.10 0.00 0.00 33.47 30.54 3gvp s TRP 281 CO -0.12 -0.78 1.28 0.21 -2.66 0.00 0.00 176.95 174.87 3gvp s LYS 282 N -3.83 4.41 -0.53 3.25 2.20 -1.26 -3.59 119.74 120.39 3gvp s LYS 282 Ca 0.06 2.10 -0.02 0.00 -0.36 0.00 0.00 55.97 57.75 3gvp s LYS 282 Cb 0.01 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3gvp s LYS 282 CO -0.08 -0.15 0.26 0.41 -0.36 0.00 0.00 175.35 175.43 3gvp n GLY 283 N 1.45 0.30 3.74 5.54 0.00 0.10 -5.00 105.19 111.32 3gvp n GLY 283 Ca 0.02 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3gvp n GLY 283 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gvp s GLU 284 N -5.06 2.61 0.67 1.61 2.02 -0.71 -5.03 118.70 114.81 3gvp s GLU 284 Ca 0.13 1.81 -0.04 0.00 0.02 0.00 0.00 54.97 56.90 3gvp s GLU 284 Cb -0.06 -1.88 0.07 0.00 0.10 0.00 0.00 34.13 32.36 3gvp s GLU 284 CO 0.16 -1.49 0.96 -1.54 0.02 0.00 0.00 175.26 173.37 3gvp s SER 285 N -1.78 4.78 0.18 -0.19 1.04 -1.26 -4.87 113.70 111.61 3gvp s SER 285 Ca 0.77 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 3gvp s SER 285 Cb -0.30 -0.82 0.13 0.00 0.10 0.00 0.00 66.02 65.13 3gvp s SER 285 CO 0.39 -1.57 1.81 -0.08 0.98 0.00 0.00 173.24 174.77 3gvp h GLU 286 N -0.44 0.58 -0.73 4.02 4.57 -1.99 -0.13 114.58 120.45 3gvp h GLU 286 Ca -0.42 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3gvp h GLU 286 Cb 1.30 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 3gvp h GLU 286 CO 0.53 0.39 0.32 -0.44 -1.18 0.00 0.00 179.01 178.63 3gvp h ASP 287 N 0.60 0.97 -0.20 1.04 3.32 -2.00 -2.46 116.42 117.69 3gvp h ASP 287 Ca 0.23 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gvp h ASP 287 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3gvp h ASP 287 CO -0.13 0.84 0.12 0.44 -1.72 0.00 0.00 179.24 178.80 3gvp h ASP 288 N 1.05 0.24 -0.26 6.45 3.32 -1.74 -1.15 116.42 124.32 3gvp h ASP 288 Ca 0.25 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.29 3gvp h ASP 288 Cb 0.16 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 3gvp h ASP 288 CO -0.03 0.23 -0.45 0.15 -1.72 0.00 0.00 179.24 177.42 3gvp h PHE 289 N 0.23 -1.32 -0.31 4.55 3.57 -0.59 0.11 116.94 123.18 3gvp h PHE 289 Ca 0.07 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3gvp h PHE 289 Cb 0.03 0.61 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3gvp h PHE 289 CO -0.05 -0.47 -0.10 -1.49 -2.23 0.00 0.00 178.31 173.97 3gvp h TRP 290 N -0.43 0.55 -0.59 0.41 4.06 -1.48 -2.67 115.95 115.79 3gvp h TRP 290 Ca 0.09 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 60.99 3gvp h TRP 290 Cb 0.62 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 3gvp h TRP 290 CO -0.57 0.60 0.36 2.35 -3.56 0.00 0.00 178.44 177.62 3gvp h TRP 291 N 0.48 0.68 -0.36 0.49 7.01 -0.11 -1.88 115.95 122.26 3gvp h TRP 291 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 3gvp h TRP 291 Cb 0.47 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 3gvp h TRP 291 CO 0.02 0.39 0.10 0.00 -2.79 0.00 0.00 178.44 176.15 3gvp h ILE 293 N 0.42 0.99 -0.17 0.00 2.04 -1.32 0.90 117.51 120.37 3gvp h ILE 293 Ca 0.11 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3gvp h ILE 293 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3gvp h ILE 293 CO -0.00 0.14 0.01 -0.78 0.00 0.00 0.00 178.15 177.52 3gvp h ASP 294 N 0.77 0.29 -0.32 1.72 3.58 -1.17 -0.84 116.42 120.45 3gvp h ASP 294 Ca 0.32 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gvp h ASP 294 Cb 0.18 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3gvp h ASP 294 CO -0.18 0.51 0.21 0.03 -2.88 0.00 0.00 179.24 176.93 3gvp h ARG 295 N 0.06 0.42 -0.48 0.28 2.47 -1.06 0.52 114.38 116.59 3gvp h ARG 295 Ca 0.05 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 3gvp h ARG 295 Cb 0.36 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3gvp h ARG 295 CO 0.01 0.28 0.10 0.00 0.56 0.00 0.00 179.97 180.92 3gvp n VAL 297 N -4.45 1.77 -3.60 0.00 0.31 -0.35 -4.80 118.33 107.21 3gvp n VAL 297 Ca 0.01 -0.62 -0.40 0.00 -0.01 0.00 0.00 64.34 63.32 3gvp n VAL 297 Cb 0.24 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 3gvp n VAL 297 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gvp s ASN 298 N -7.03 5.61 0.00 4.52 2.47 0.18 -4.69 114.94 116.00 3gvp s ASN 298 Ca -0.23 -1.88 -0.03 0.00 0.42 0.00 0.00 52.86 51.15 3gvp s ASN 298 Cb 0.07 -1.97 -0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3gvp s ASN 298 CO 0.76 -0.64 0.04 0.54 -3.72 0.00 0.00 177.10 174.07 3gvp s VAL 299 N 1.33 0.07 0.18 -5.21 0.11 -1.26 -4.60 120.40 111.02 3gvp s VAL 299 Ca 0.06 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 3gvp s VAL 299 Cb -0.25 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 3gvp s VAL 299 CO -0.01 -0.32 1.34 -0.70 -3.33 0.00 0.00 175.10 172.09 3gvp s GLU 300 N -0.99 4.36 -1.32 1.54 -6.30 -1.26 -3.53 118.70 111.20 3gvp s GLU 300 Ca -0.11 2.09 -0.01 0.00 -2.50 0.00 0.00 54.97 54.44 3gvp s GLU 300 Cb -0.07 -3.20 0.00 0.00 0.00 0.00 0.00 34.13 30.87 3gvp s GLU 300 CO 0.00 -0.32 0.08 0.41 0.02 0.00 0.00 175.26 175.45 3gvp n GLY 301 N 2.62 -0.27 3.49 -1.50 0.00 -1.26 -4.98 105.19 103.29 3gvp n GLY 301 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3gvp n GLY 301 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gvp s TRP 302 N -2.82 -1.31 -0.03 1.61 -0.00 -1.23 -5.17 118.94 109.99 3gvp s TRP 302 Ca 0.04 2.02 0.07 0.00 -0.00 0.00 0.00 56.10 58.23 3gvp s TRP 302 Cb -0.02 0.69 -0.02 0.00 -0.00 0.00 0.00 33.47 34.13 3gvp s TRP 302 CO 0.05 -0.67 -0.24 -0.65 -0.00 0.00 0.00 176.95 175.44 3gvp s GLN 303 N 2.84 2.22 0.40 5.86 -0.21 -1.26 -4.35 119.66 125.16 3gvp s GLN 303 Ca 0.01 -0.89 -0.26 0.00 0.02 0.00 0.00 55.36 54.24 3gvp s GLN 303 Cb -0.12 -2.10 -0.09 0.00 1.00 0.00 0.00 33.01 31.70 3gvp s GLN 303 CO -0.19 0.55 1.23 -1.25 -2.12 0.00 0.00 175.29 173.51 3gvp s PRO 304 N -0.58 4.04 0.00 2.91 0.04 -1.26 -4.86 135.00 135.29 3gvp s PRO 304 Ca 0.09 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.18 3gvp s PRO 304 Cb -0.10 -2.74 0.02 0.00 0.04 0.00 0.00 34.50 31.71 3gvp s PRO 304 CO -0.00 -0.38 0.58 0.27 0.04 0.00 0.00 177.00 177.51 3gvp n ASN 305 N 0.16 1.18 -3.90 6.66 0.23 -0.30 -4.70 115.26 114.60 3gvp n ASN 305 Ca 0.04 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.58 52.86 3gvp n ASN 305 Cb 0.45 0.29 -0.14 0.00 -2.08 0.00 0.00 39.78 38.30 3gvp n ASN 305 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3gvp s MET 306 N -0.85 0.12 -0.11 -3.83 -1.94 -0.87 -0.09 119.30 111.73 3gvp s MET 306 Ca 0.06 -0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.01 3gvp s MET 306 Cb 0.05 -0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.77 3gvp s MET 306 CO 0.13 0.03 -0.19 0.42 -0.01 0.00 0.00 175.02 175.40 3gvp s ILE 307 N -0.04 2.49 -0.19 2.53 1.01 0.16 -1.54 121.20 125.62 3gvp s ILE 307 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3gvp s ILE 307 Cb -0.01 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3gvp s ILE 307 CO -0.00 0.55 -0.12 -0.22 0.00 0.00 0.00 174.94 175.14 3gvp s LEU 308 N 0.31 2.52 0.00 2.97 2.96 -0.45 0.05 118.68 127.04 3gvp s LEU 308 Ca -0.15 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3gvp s LEU 308 Cb -0.17 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3gvp s LEU 308 CO 0.07 0.01 -0.02 -0.62 -1.32 0.00 0.00 176.35 174.47 3gvp s ASP 309 N 1.29 0.20 -0.53 3.68 -1.08 -0.35 -1.31 116.67 118.58 3gvp s ASP 309 Ca 0.04 -0.12 0.04 0.00 -0.52 0.00 0.00 52.55 51.99 3gvp s ASP 309 Cb -0.14 0.00 0.14 0.00 -1.46 0.00 0.00 42.92 41.46 3gvp s ASP 309 CO -0.07 -0.04 0.29 -0.62 0.52 0.00 0.00 175.17 175.25 3gvp s ASP 310 N -0.31 4.19 0.00 -0.34 -1.08 -0.22 -1.56 116.67 117.36 3gvp s ASP 310 Ca -0.02 -3.05 0.00 0.00 -0.52 0.00 0.00 52.55 48.96 3gvp s ASP 310 Cb -0.02 -1.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.94 3gvp s ASP 310 CO -0.00 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.08 3gvp n GLY 311 N 3.04 1.76 2.96 2.66 0.00 -1.26 -4.80 105.19 109.55 3gvp n GLY 311 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gvp n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvp n GLY 312 N 0.00 1.17 0.27 -0.02 0.00 -1.26 -3.96 105.19 101.39 3gvp n GLY 312 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3gvp n GLY 312 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gvp h ASP 313 N 0.00 0.88 -0.36 1.61 3.32 -1.97 -0.22 116.42 119.68 3gvp h ASP 313 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 3gvp h ASP 313 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3gvp h ASP 313 CO 0.00 0.86 -0.30 0.25 -1.72 0.00 0.00 179.24 178.32 3gvp h LEU 314 N 0.85 0.92 0.13 1.55 6.46 -1.95 -1.38 115.31 121.90 3gvp h LEU 314 Ca 0.19 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 3gvp h LEU 314 Cb 0.30 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3gvp h LEU 314 CO -0.01 1.15 -0.06 0.74 -0.62 0.00 0.00 178.44 179.64 3gvp h THR 315 N 0.74 0.91 -0.96 1.05 2.02 -1.93 -2.35 112.91 112.40 3gvp h THR 315 Ca 0.08 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3gvp h THR 315 Cb 0.86 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 3gvp h THR 315 CO 0.08 0.04 0.63 -0.74 0.37 0.00 0.00 175.52 175.90 3gvp h HIS 316 N -0.25 1.19 -0.17 3.16 -0.00 -0.99 0.01 115.15 118.11 3gvp h HIS 316 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3gvp h HIS 316 Cb 0.20 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3gvp h HIS 316 CO -0.05 0.74 0.10 2.35 -0.00 0.00 0.00 177.93 181.07 3gvp h TRP 317 N 1.28 0.19 -0.93 5.26 2.91 -1.07 0.93 115.95 124.53 3gvp h TRP 317 Ca 0.36 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.38 3gvp h TRP 317 Cb -0.12 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.42 3gvp h TRP 317 CO -0.01 0.12 0.57 0.82 -1.03 0.00 0.00 178.44 178.91 3gvp h ILE 318 N 0.21 1.25 0.64 2.65 2.04 -1.20 -0.55 117.51 122.56 3gvp h ILE 318 Ca 0.06 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3gvp h ILE 318 Cb -0.01 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 3gvp h ILE 318 CO -0.02 0.26 -0.47 0.22 0.00 0.00 0.00 178.15 178.14 3gvp h TYR 319 N 1.28 -1.28 0.02 1.37 3.20 0.15 -0.51 116.97 121.19 3gvp h TYR 319 Ca 0.33 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3gvp h TYR 319 Cb -0.07 0.47 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3gvp h TYR 319 CO 0.00 -0.67 -0.01 0.87 -1.64 0.00 0.00 178.16 176.71 3gvp h LYS 320 N -1.07 -0.02 0.00 1.82 1.79 -0.85 -3.21 116.57 115.03 3gvp h LYS 320 Ca -0.08 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3gvp h LYS 320 Cb 0.88 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 3gvp h LYS 320 CO 0.04 0.34 -0.96 1.57 -1.08 0.00 0.00 179.45 179.36 3gvp h LYS 321 N -0.39 0.00 -1.64 3.15 5.09 -1.16 -3.39 116.57 118.23 3gvp h LYS 321 Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 60.65 60.29 3gvp h LYS 321 Cb 0.38 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 32.30 3gvp h LYS 321 CO 0.00 0.07 -1.15 0.66 -2.09 0.00 0.00 179.45 176.94 3gvp n TYR 322 N -2.78 0.89 -0.35 0.07 4.01 -0.20 -4.98 117.16 113.82 3gvp n TYR 322 Ca -0.01 -3.43 0.26 0.00 -0.16 0.00 0.00 57.90 54.56 3gvp n TYR 322 Cb 0.61 -0.40 0.55 0.00 -0.31 0.00 0.00 39.34 39.79 3gvp n TYR 322 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gvp h PRO 323 N 2.98 0.30 0.06 -0.72 0.13 -1.55 0.21 132.00 133.40 3gvp h PRO 323 Ca 0.04 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.91 3gvp h PRO 323 Cb 1.02 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3gvp h PRO 323 CO 0.53 0.20 -1.08 -0.91 -0.23 0.00 0.00 178.00 176.51 3gvp h ASN 324 N 0.30 0.25 -0.37 1.44 4.21 -1.90 -1.78 115.58 117.73 3gvp h ASN 324 Ca 0.64 -0.25 -0.05 0.00 1.21 0.00 0.00 56.30 57.85 3gvp h ASN 324 Cb 1.78 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.88 3gvp h ASN 324 CO -0.31 1.16 0.02 -0.03 -1.29 0.00 0.00 177.43 176.98 3gvp h MET 325 N 0.06 0.63 -0.86 0.81 1.85 -1.52 -3.20 114.93 112.70 3gvp h MET 325 Ca -0.07 -0.19 0.10 0.00 -0.61 0.00 0.00 59.70 58.92 3gvp h MET 325 Cb 1.80 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 33.69 3gvp h MET 325 CO 0.16 0.73 0.50 0.35 -0.40 0.00 0.00 176.91 178.25 3gvp h PHE 326 N 0.46 0.91 0.00 1.39 3.57 -0.51 -1.69 116.94 121.07 3gvp h PHE 326 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3gvp h PHE 326 Cb 0.43 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3gvp h PHE 326 CO 0.03 0.37 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.15 3gvp h LYS 327 N 0.83 0.00 -0.01 1.11 3.64 -1.32 -2.51 116.57 118.32 3gvp h LYS 327 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3gvp h LYS 327 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3gvp h LYS 327 CO -0.25 0.11 -0.08 1.63 -2.27 0.00 0.00 179.45 178.58 3gvp n LYS 328 N -3.98 1.17 -2.34 1.90 4.76 -0.64 -4.89 118.16 114.14 3gvp n LYS 328 Ca -0.02 -0.56 -0.42 0.00 -2.87 0.00 0.00 58.31 54.43 3gvp n LYS 328 Cb 0.20 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 3gvp n LYS 328 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gvp s ILE 329 N -2.22 3.93 0.23 -0.18 -1.09 -0.95 -4.84 121.20 116.08 3gvp s ILE 329 Ca 0.34 1.32 0.01 0.00 -2.23 0.00 0.00 60.65 60.08 3gvp s ILE 329 Cb 0.21 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 3gvp s ILE 329 CO 0.41 0.02 1.58 0.50 -1.23 0.00 0.00 174.94 176.22 3gvp h LYS 330 N 7.48 0.43 -1.79 2.79 1.63 -0.85 -3.44 116.57 122.82 3gvp h LYS 330 Ca -0.37 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.19 3gvp h LYS 330 Cb 1.18 0.02 -0.24 0.00 -0.60 0.00 0.00 32.23 32.59 3gvp h LYS 330 CO 0.88 0.83 0.30 0.20 -3.45 0.00 0.00 179.45 178.21 3gvp s GLY 331 N -4.17 -0.34 -0.25 5.01 0.00 -1.20 -4.37 107.32 102.00 3gvp s GLY 331 Ca -0.06 2.36 -0.04 0.00 0.00 0.00 0.00 44.72 46.98 3gvp s GLY 331 CO 0.81 1.79 -0.01 -0.42 0.00 0.00 0.00 173.10 175.27 3gvp s ILE 332 N 0.28 3.42 -0.29 0.90 1.01 -0.53 -0.66 121.20 125.33 3gvp s ILE 332 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3gvp s ILE 332 Cb -0.05 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3gvp s ILE 332 CO -0.03 0.23 0.23 -0.69 0.00 0.00 0.00 174.94 174.68 3gvp s VAL 333 N 1.44 5.29 -0.08 2.92 1.01 0.11 -0.71 120.40 130.37 3gvp s VAL 333 Ca 0.03 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3gvp s VAL 333 Cb -0.16 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 3gvp s VAL 333 CO -0.02 0.19 -0.24 -0.70 0.00 0.00 0.00 175.10 174.34 3gvp s GLU 334 N 1.80 2.73 -0.11 2.72 2.56 -0.90 -1.21 118.70 126.29 3gvp s GLU 334 Ca 0.08 -0.86 0.20 0.00 0.00 0.00 0.00 54.97 54.39 3gvp s GLU 334 Cb -0.16 -2.17 -0.29 0.00 2.00 0.00 0.00 34.13 33.50 3gvp s GLU 334 CO 0.11 0.26 0.29 -1.91 -0.56 0.00 0.00 175.26 173.45 3gvp n GLU 335 N 3.28 0.67 -3.93 4.30 4.07 -0.60 -2.29 120.64 126.14 3gvp n GLU 335 Ca -0.18 -0.10 -0.23 0.00 -0.06 0.00 0.00 57.16 56.58 3gvp n GLU 335 Cb 0.53 -1.52 -0.02 0.00 -0.06 0.00 0.00 31.44 30.36 3gvp n GLU 335 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3gvp s SER 336 N -4.99 6.33 0.07 4.31 1.04 -1.26 -4.02 113.70 115.17 3gvp s SER 336 Ca -0.09 0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 3gvp s SER 336 Cb 0.10 -1.89 -0.11 0.00 0.10 0.00 0.00 66.02 64.23 3gvp s SER 336 CO 0.87 -0.03 1.51 0.58 0.98 0.00 0.00 173.24 177.14 3gvp h VAL 337 N 1.33 1.25 -0.28 5.02 2.07 -1.97 -1.34 116.25 122.33 3gvp h VAL 337 Ca -0.51 -0.84 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 3gvp h VAL 337 Cb 1.22 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3gvp h VAL 337 CO 0.64 0.26 -0.52 0.71 0.02 0.00 0.00 177.57 178.68 3gvp h THR 338 N 0.09 1.28 -0.83 2.57 1.35 -1.96 -1.66 112.91 113.76 3gvp h THR 338 Ca 0.05 -1.71 0.04 0.00 -0.55 0.00 0.00 66.41 64.24 3gvp h THR 338 Cb 0.38 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 68.36 3gvp h THR 338 CO 0.01 0.56 0.53 1.23 -0.25 0.00 0.00 175.52 177.59 3gvp h GLY 339 N 0.80 1.23 1.15 5.82 0.00 -1.67 -1.52 103.07 108.87 3gvp h GLY 339 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3gvp h GLY 339 CO 0.11 0.31 -0.14 -2.08 0.00 0.00 0.00 176.54 174.75 3gvp h VAL 340 N 1.00 1.27 -0.63 4.60 2.07 -1.02 -2.54 116.25 121.00 3gvp h VAL 340 Ca 0.34 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3gvp h VAL 340 Cb 0.07 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3gvp h VAL 340 CO -0.14 0.45 0.38 -0.74 0.02 0.00 0.00 177.57 177.54 3gvp h HIS 341 N 0.87 0.70 -0.51 1.57 2.76 -0.92 -2.02 115.15 117.60 3gvp h HIS 341 Ca 0.13 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3gvp h HIS 341 Cb 0.70 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 3gvp h HIS 341 CO 0.05 0.38 0.14 0.00 -1.30 0.00 0.00 177.93 177.20 3gvp h ARG 342 N 0.73 0.76 -0.03 5.26 3.08 -1.15 -0.19 114.38 122.84 3gvp h ARG 342 Ca 0.26 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3gvp h ARG 342 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3gvp h ARG 342 CO -0.12 0.67 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.93 3gvp h LEU 343 N 0.74 0.07 -0.42 3.04 3.38 -1.18 -2.97 115.31 117.96 3gvp h LEU 343 Ca 0.17 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3gvp h LEU 343 Cb 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gvp h LEU 343 CO -0.01 0.52 -0.71 1.88 0.09 0.00 0.00 178.44 180.21 3gvp h TYR 344 N 0.06 0.00 0.00 1.13 0.99 -0.59 -2.91 116.97 115.65 3gvp h TYR 344 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3gvp h TYR 344 Cb 0.82 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.55 3gvp h TYR 344 CO 0.00 0.71 -0.14 1.96 -0.00 0.00 0.00 178.16 180.69 3gvp h GLN 345 N 0.00 0.00 -3.94 4.88 4.20 -0.91 -3.41 115.11 115.93 3gvp h GLN 345 Ca -0.01 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.98 3gvp h GLN 345 Cb 1.35 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.06 3gvp h GLN 345 CO 0.09 0.14 2.84 1.28 -0.67 0.00 0.00 178.83 182.51 3gvp n LEU 346 N -4.07 6.75 -0.30 1.46 4.77 -1.10 -4.77 117.00 119.74 3gvp n LEU 346 Ca -0.02 -4.25 -0.03 0.00 -0.03 0.00 0.00 56.01 51.67 3gvp n LEU 346 Cb 0.22 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 39.68 3gvp n LEU 346 CO 0.33 1.14 -0.03 0.00 -1.33 0.00 0.00 177.39 177.50 3gvp n ALA 349 N 5.64 -0.05 -0.78 -1.18 0.00 -1.26 -4.01 120.51 118.86 3gvp n ALA 349 Ca 0.49 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gvp n ALA 349 Cb 0.39 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3gvp n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvp n GLY 350 N 0.56 0.13 0.27 0.00 0.00 -1.26 -4.84 105.19 100.05 3gvp n GLY 350 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3gvp n GLY 350 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gvp n LYS 351 N -0.91 1.02 -2.95 1.61 -0.00 -1.26 -4.78 118.16 110.90 3gvp n LYS 351 Ca 0.00 -0.53 -0.42 0.00 -0.00 0.00 0.00 58.31 57.35 3gvp n LYS 351 Cb 0.20 -1.49 -0.05 0.00 -0.00 0.00 0.00 35.03 33.69 3gvp n LYS 351 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3gvp s LEU 352 N -2.35 4.14 0.00 -5.58 2.96 -1.26 -4.91 118.68 111.68 3gvp s LEU 352 Ca 0.30 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 3gvp s LEU 352 Cb 0.20 -3.03 0.07 0.00 0.50 0.00 0.00 46.19 43.93 3gvp s LEU 352 CO 0.46 -0.78 0.87 0.00 -1.32 0.00 0.00 176.35 175.58 3gvp s VAL 354 N -0.68 1.53 0.28 0.00 -7.23 -1.26 -4.66 120.40 108.38 3gvp s VAL 354 Ca 0.07 -1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 3gvp s VAL 354 Cb 0.04 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.16 3gvp s VAL 354 CO 0.05 -0.44 1.32 -2.16 -0.31 0.00 0.00 175.10 173.57 3gvp s PRO 355 N -2.93 4.36 0.03 4.82 0.04 -1.26 -4.11 135.00 135.96 3gvp s PRO 355 Ca 0.13 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.43 3gvp s PRO 355 Cb -0.04 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3gvp s PRO 355 CO 0.04 -0.22 -0.25 0.00 0.04 0.00 0.00 177.00 176.61 3gvp s ALA 356 N -0.60 2.12 -0.22 8.56 0.00 -0.86 -1.45 121.76 129.31 3gvp s ALA 356 Ca 0.53 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3gvp s ALA 356 Cb -0.39 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.30 3gvp s ALA 356 CO 0.47 0.50 -0.14 1.41 0.00 0.00 0.00 175.76 178.00 3gvp s MET 357 N -1.11 2.76 -0.75 0.00 1.75 0.11 0.56 119.30 122.63 3gvp s MET 357 Ca 0.11 -1.00 -0.24 0.00 -1.25 0.00 0.00 55.69 53.30 3gvp s MET 357 Cb -0.10 -2.77 0.05 0.00 2.84 0.00 0.00 34.83 34.85 3gvp s MET 357 CO 0.01 -0.35 1.17 1.21 -0.65 0.00 0.00 175.02 176.41 3gvp s ASN 358 N 1.25 6.23 0.00 1.11 2.47 0.59 -2.12 114.94 124.48 3gvp s ASN 358 Ca 0.00 -0.85 0.26 0.00 0.42 0.00 0.00 52.86 52.69 3gvp s ASN 358 Cb -0.16 -2.50 0.62 0.00 -1.45 0.00 0.00 41.25 37.77 3gvp s ASN 358 CO -0.08 -1.61 1.48 1.33 -3.72 0.00 0.00 177.10 174.50 3gvp n VAL 359 N 6.21 0.00 -0.30 -5.21 0.24 -0.97 -3.73 118.33 114.57 3gvp n VAL 359 Ca 0.05 -0.09 0.03 0.00 -2.04 0.00 0.00 64.34 62.29 3gvp n VAL 359 Cb 0.48 0.39 0.22 0.00 -1.47 0.00 0.00 33.84 33.46 3gvp n VAL 359 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3gvp h ASN 360 N 0.80 0.93 -0.75 -1.34 -0.73 -1.69 -2.76 115.58 110.04 3gvp h ASN 360 Ca 0.00 -0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 3gvp h ASN 360 Cb 0.51 -0.20 -0.17 0.00 0.27 0.00 0.00 38.32 38.73 3gvp h ASN 360 CO 0.00 0.62 0.33 0.47 -0.37 0.00 0.00 177.43 178.48 3gvp n ASP 361 N -4.47 4.31 -4.76 1.15 8.00 -1.24 -4.59 116.55 114.93 3gvp n ASP 361 Ca 0.13 -3.37 -0.38 0.00 0.71 0.00 0.00 54.79 51.88 3gvp n ASP 361 Cb 0.16 -0.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.51 3gvp n ASP 361 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gvp s SER 362 N -1.29 5.99 0.06 -2.24 0.01 -1.04 -4.90 113.70 110.28 3gvp s SER 362 Ca 0.54 2.58 -0.24 0.00 1.31 0.00 0.00 55.95 60.14 3gvp s SER 362 Cb 0.44 -2.63 -0.16 0.00 0.21 0.00 0.00 66.02 63.88 3gvp s SER 362 CO 0.11 -1.06 1.59 0.58 0.41 0.00 0.00 173.24 174.87 3gvp h VAL 363 N 2.02 1.12 -0.12 3.43 2.07 -1.92 -1.62 116.25 121.23 3gvp h VAL 363 Ca -0.50 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3gvp h VAL 363 Cb 1.26 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3gvp h VAL 363 CO 0.60 0.10 0.01 0.74 0.02 0.00 0.00 177.57 179.04 3gvp h THR 364 N -0.14 1.23 -0.57 2.57 2.02 -1.92 -2.98 112.91 113.11 3gvp h THR 364 Ca 0.00 -0.73 0.11 0.00 0.77 0.00 0.00 66.41 66.56 3gvp h THR 364 Cb 0.15 1.49 -0.11 0.00 -1.74 0.00 0.00 68.15 67.94 3gvp h THR 364 CO -0.00 0.21 -0.30 0.11 0.37 0.00 0.00 175.52 175.91 3gvp h LYS 365 N -0.04 -0.14 -0.77 6.66 1.79 -1.89 -2.83 116.57 119.34 3gvp h LYS 365 Ca 0.04 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.62 3gvp h LYS 365 Cb 0.31 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.92 3gvp h LYS 365 CO 0.00 -0.10 0.41 1.96 -1.08 0.00 0.00 179.45 180.65 3gvp h GLN 366 N -0.15 0.65 -0.75 3.15 4.20 -1.14 0.15 115.11 121.23 3gvp h GLN 366 Ca 0.24 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.08 3gvp h GLN 366 Cb 0.54 -0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 3gvp h GLN 366 CO -0.65 0.43 0.01 0.87 -0.67 0.00 0.00 178.83 178.82 3gvp h LYS 367 N 0.67 0.11 0.07 1.46 1.79 -1.44 -1.41 116.57 117.82 3gvp h LYS 367 Ca 0.39 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.74 3gvp h LYS 367 Cb 0.41 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3gvp h LYS 367 CO -0.28 0.07 -0.50 0.74 -1.08 0.00 0.00 179.45 178.40 3gvp h PHE 368 N 0.11 0.25 -0.75 -1.35 -1.00 -1.17 -2.61 116.94 110.43 3gvp h PHE 368 Ca 0.41 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 3gvp h PHE 368 Cb 0.72 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.23 3gvp h PHE 368 CO -0.41 1.19 0.44 -0.44 -1.61 0.00 0.00 178.31 177.48 3gvp h ASP 369 N -0.70 0.91 0.00 2.17 5.19 -0.63 0.52 116.42 123.88 3gvp h ASP 369 Ca -0.10 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3gvp h ASP 369 Cb 1.33 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3gvp h ASP 369 CO 0.05 0.72 0.00 0.59 -3.12 0.00 0.00 179.24 177.48 3gvp n ASN 370 N -4.49 0.00 0.30 6.45 3.02 -0.54 -4.46 115.26 115.53 3gvp n ASN 370 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.50 3gvp n ASN 370 Cb 0.07 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 3gvp n ASN 370 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3gvp h LEU 371 N 0.00 -0.67 -0.63 3.41 5.85 -1.68 -2.77 115.31 118.82 3gvp h LEU 371 Ca 0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3gvp h LEU 371 Cb 0.00 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3gvp h LEU 371 CO 0.00 -0.38 0.11 1.88 -0.34 0.00 0.00 178.44 179.71 3gvp h TYR 372 N -1.00 1.11 -0.32 1.25 0.05 -1.51 -1.91 116.97 114.63 3gvp h TYR 372 Ca -0.08 -0.15 -0.15 0.00 0.05 0.00 0.00 58.73 58.40 3gvp h TYR 372 Cb 0.61 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 3gvp h TYR 372 CO 0.04 0.94 -0.39 0.00 -1.05 0.00 0.00 178.16 177.70 3gvp h ARG 375 N 0.41 0.37 0.06 0.00 2.43 -1.44 -0.53 114.38 115.69 3gvp h ARG 375 Ca -0.04 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 3gvp h ARG 375 Cb 1.34 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3gvp h ARG 375 CO 0.14 0.25 -0.93 0.93 -1.51 0.00 0.00 179.97 178.85 3gvp h GLU 376 N 0.39 0.53 0.00 0.20 5.08 -1.47 -3.36 114.58 115.95 3gvp h GLU 376 Ca 0.30 -0.64 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 3gvp h GLU 376 Cb 0.38 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3gvp h GLU 376 CO -0.31 1.26 -0.55 0.66 -1.00 0.00 0.00 179.01 179.07 3gvp h SER 377 N 0.08 0.00 -0.69 1.42 4.64 -0.77 -1.59 113.55 116.64 3gvp h SER 377 Ca -0.13 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3gvp h SER 377 Cb 1.63 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.68 3gvp h SER 377 CO 0.18 0.55 0.45 -0.29 -0.87 0.00 0.00 176.83 176.85 3gvp h ILE 378 N 0.00 1.15 -0.16 0.95 6.09 -1.25 0.14 117.51 124.43 3gvp h ILE 378 Ca -0.01 -0.31 -0.16 0.00 -1.37 0.00 0.00 64.86 63.01 3gvp h ILE 378 Cb 1.13 0.16 0.01 0.00 0.47 0.00 0.00 36.82 38.59 3gvp h ILE 378 CO 0.07 0.17 -0.54 -0.07 -3.07 0.00 0.00 178.15 174.71 3gvp h LEU 379 N 0.91 0.76 -0.10 2.19 3.38 -1.64 -2.10 115.31 118.70 3gvp h LEU 379 Ca 0.26 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3gvp h LEU 379 Cb -0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3gvp h LEU 379 CO -0.07 1.23 0.05 -0.78 0.09 0.00 0.00 178.44 178.95 3gvp h ASP 380 N 0.33 0.14 -0.45 -0.43 3.58 -1.17 -1.60 116.42 116.81 3gvp h ASP 380 Ca -0.02 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 3gvp h ASP 380 Cb 1.17 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 3gvp h ASP 380 CO 0.11 0.22 0.04 1.23 -2.88 0.00 0.00 179.24 177.96 3gvp h GLY 381 N 0.04 0.91 0.98 -0.78 0.00 -0.73 -0.79 103.07 102.70 3gvp h GLY 381 Ca 0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3gvp h GLY 381 CO -0.00 0.55 -0.13 1.41 0.00 0.00 0.00 176.54 178.36 3gvp h LEU 382 N 0.79 0.77 -0.38 3.11 3.38 -1.33 -1.59 115.31 120.06 3gvp h LEU 382 Ca 0.16 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gvp h LEU 382 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3gvp h LEU 382 CO 0.01 0.98 0.19 0.11 0.09 0.00 0.00 178.44 179.82 3gvp h LYS 383 N 0.55 0.54 -0.75 1.13 1.79 -1.19 -1.66 116.57 116.98 3gvp h LYS 383 Ca 0.09 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3gvp h LYS 383 Cb 0.66 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 3gvp h LYS 383 CO 0.05 0.47 0.50 -0.09 -1.08 0.00 0.00 179.45 179.29 3gvp h ARG 384 N 0.47 0.98 0.00 3.15 9.65 -1.00 -0.87 114.38 126.77 3gvp h ARG 384 Ca 0.13 -0.06 -0.24 0.00 -1.10 0.00 0.00 59.98 58.71 3gvp h ARG 384 Cb 0.10 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 3gvp h ARG 384 CO -0.02 0.65 -1.30 1.79 2.80 0.00 0.00 179.97 183.89 3gvp h THR 385 N 1.01 1.24 0.00 0.20 1.35 -1.26 -3.42 112.91 112.04 3gvp h THR 385 Ca 0.28 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 3gvp h THR 385 Cb -0.11 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3gvp h THR 385 CO -0.06 0.71 -0.23 0.35 -0.25 0.00 0.00 175.52 176.03 3gvp n THR 386 N -3.19 0.00 -2.05 6.82 -2.24 -0.63 -4.95 114.28 108.04 3gvp n THR 386 Ca -0.08 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 3gvp n THR 386 Cb 0.97 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 3gvp n THR 386 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gvp n ASP 387 N -0.65 -4.86 -4.78 3.42 8.00 -0.33 -4.93 116.55 112.42 3gvp n ASP 387 Ca 0.00 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.40 3gvp n ASP 387 Cb 0.00 -4.19 0.08 0.00 -0.02 0.00 0.00 41.12 36.99 3gvp n ASP 387 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvp s MET 388 N -4.40 2.50 -0.07 -1.24 0.23 -1.26 -5.04 119.30 110.01 3gvp s MET 388 Ca 0.00 1.14 -0.08 0.00 -1.03 0.00 0.00 55.69 55.71 3gvp s MET 388 Cb 0.00 -1.93 -0.04 0.00 -1.53 0.00 0.00 34.83 31.33 3gvp s MET 388 CO 0.00 -1.46 0.22 0.00 -2.03 0.00 0.00 175.02 171.75 3gvp s MET 389 N -4.84 3.56 0.16 3.16 0.23 -1.26 -4.87 119.30 115.44 3gvp s MET 389 Ca 0.61 -0.01 0.14 0.00 -1.03 0.00 0.00 55.69 55.40 3gvp s MET 389 Cb -0.17 -3.18 -0.07 0.00 -1.53 0.00 0.00 34.83 29.88 3gvp s MET 389 CO 0.54 0.74 1.15 0.74 -2.03 0.00 0.00 175.02 176.16 3gvp h PHE 390 N 4.75 0.00 -2.55 3.16 0.04 -1.97 -3.45 116.94 116.93 3gvp h PHE 390 Ca -0.53 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.71 3gvp h PHE 390 Cb 1.22 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.42 3gvp h PHE 390 CO 0.74 0.65 1.09 0.41 -0.60 0.00 0.00 178.31 180.60 3gvp n GLY 391 N 1.33 1.66 2.79 -1.45 0.00 -1.23 -2.35 105.19 105.94 3gvp n GLY 391 Ca -0.04 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3gvp n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvp n GLY 392 N 4.18 0.75 3.75 -0.02 0.00 0.04 -4.91 105.19 108.98 3gvp n GLY 392 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gvp n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvp s LYS 393 N -0.14 4.40 -0.19 1.61 -0.14 -0.99 -4.75 119.74 119.54 3gvp s LYS 393 Ca 0.00 2.07 -0.20 0.00 -1.36 0.00 0.00 55.97 56.48 3gvp s LYS 393 Cb 0.00 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 3gvp s LYS 393 CO 0.00 -0.20 0.58 -0.65 -0.76 0.00 0.00 175.35 174.32 3gvp s GLN 394 N -0.61 4.22 -0.03 1.68 -0.21 -1.26 0.11 119.66 123.56 3gvp s GLN 394 Ca 0.54 0.54 0.05 0.00 0.02 0.00 0.00 55.36 56.50 3gvp s GLN 394 Cb -0.37 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.07 3gvp s GLN 394 CO 0.42 -0.18 -0.16 0.08 -2.12 0.00 0.00 175.29 173.33 3gvp s VAL 395 N 1.71 1.32 -0.11 1.09 1.01 0.54 -0.40 120.40 125.55 3gvp s VAL 395 Ca 0.27 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3gvp s VAL 395 Cb -0.16 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3gvp s VAL 395 CO 0.10 0.38 -0.17 0.54 0.00 0.00 0.00 175.10 175.95 3gvp s VAL 396 N -0.16 2.73 -0.21 2.92 0.11 -0.42 -0.20 120.40 125.16 3gvp s VAL 396 Ca 0.01 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.24 3gvp s VAL 396 Cb -0.09 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 3gvp s VAL 396 CO 0.01 0.54 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.59 3gvp s VAL 397 N 0.18 3.43 -0.31 2.04 1.01 -0.15 -1.08 120.40 125.52 3gvp s VAL 397 Ca -0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 3gvp s VAL 397 Cb -0.16 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3gvp s VAL 397 CO 0.06 0.43 0.55 0.00 0.00 0.00 0.00 175.10 176.15 3gvp n GLY 399 N 4.54 1.21 2.40 0.00 0.00 -0.13 -0.84 105.19 112.37 3gvp n GLY 399 Ca -0.03 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 3gvp n GLY 399 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gvp n TYR 400 N 1.95 2.14 -0.86 1.61 9.36 -1.26 -4.19 117.16 125.91 3gvp n TYR 400 Ca 0.00 -2.29 0.00 0.00 3.32 0.00 0.00 57.90 58.93 3gvp n TYR 400 Cb 0.00 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 3gvp n TYR 400 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gvp n GLY 401 N -0.61 -1.19 0.35 2.98 0.00 -1.26 -4.58 105.19 100.88 3gvp n GLY 401 Ca 0.28 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.77 3gvp n GLY 401 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gvp h GLU 402 N 0.00 0.76 -0.01 1.61 4.39 -1.95 0.67 114.58 120.05 3gvp h GLU 402 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gvp h GLU 402 Cb 0.00 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3gvp h GLU 402 CO 0.00 0.50 -0.00 0.28 -1.16 0.00 0.00 179.01 178.63 3gvp h VAL 403 N 0.78 1.30 -0.34 3.13 2.07 -1.90 -1.41 116.25 119.88 3gvp h VAL 403 Ca 0.57 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3gvp h VAL 403 Cb 0.86 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3gvp h VAL 403 CO -0.37 0.23 0.14 1.23 0.02 0.00 0.00 177.57 178.82 3gvp h GLY 404 N -0.36 0.44 0.20 2.17 0.00 -1.63 -1.51 103.07 102.39 3gvp h GLY 404 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3gvp h GLY 404 CO 0.00 0.06 -0.13 0.50 0.00 0.00 0.00 176.54 176.98 3gvp h LYS 405 N 0.31 -0.05 -0.76 4.80 1.57 -0.83 0.18 116.57 121.78 3gvp h LYS 405 Ca 0.15 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3gvp h LYS 405 Cb 0.09 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3gvp h LYS 405 CO -0.13 -0.03 0.48 0.78 -0.57 0.00 0.00 179.45 179.98 3gvp h GLY 406 N -0.05 1.10 0.89 3.86 0.00 -0.96 -1.01 103.07 106.90 3gvp h GLY 406 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3gvp h GLY 406 CO -0.40 0.31 -0.05 0.00 0.00 0.00 0.00 176.54 176.40 3gvp h ALA 409 N 1.16 1.13 -0.20 0.00 0.00 -1.14 0.12 119.26 120.33 3gvp h ALA 409 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gvp h ALA 409 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gvp h ALA 409 CO -0.13 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.73 3gvp h ALA 410 N 1.29 0.27 -0.30 0.00 0.00 -1.15 -1.54 119.26 117.83 3gvp h ALA 410 Ca 0.32 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3gvp h ALA 410 Cb -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gvp h ALA 410 CO -0.06 -0.03 -0.47 -0.07 0.00 0.00 0.00 179.25 178.62 3gvp h LEU 411 N 0.12 0.93 -0.79 0.00 3.38 -1.18 -2.54 115.31 115.22 3gvp h LEU 411 Ca 0.06 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.53 3gvp h LEU 411 Cb 0.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3gvp h LEU 411 CO 0.01 1.27 0.52 0.50 0.09 0.00 0.00 178.44 180.82 3gvp h LYS 412 N 0.62 1.01 0.00 1.13 3.64 -0.99 -0.67 116.57 121.31 3gvp h LYS 412 Ca 0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3gvp h LYS 412 Cb 1.08 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3gvp h LYS 412 CO 0.11 0.67 -0.16 0.00 -2.27 0.00 0.00 179.45 177.79 3gvp h ALA 413 N 1.31 1.46 -0.12 5.00 0.00 -1.09 -1.84 119.26 123.98 3gvp h ALA 413 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gvp h ALA 413 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gvp h ALA 413 CO -0.08 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 3gvp n MET 414 N -3.95 1.76 -0.25 0.00 2.81 -0.89 -4.93 117.12 111.67 3gvp n MET 414 Ca -0.02 -1.13 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 3gvp n MET 414 Cb 0.25 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3gvp n MET 414 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gvp n GLY 415 N 1.17 0.86 3.82 3.03 0.00 -0.69 -3.50 105.19 109.89 3gvp n GLY 415 Ca 0.17 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3gvp n GLY 415 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gvp s SER 416 N -2.11 5.97 -0.31 1.61 0.01 -0.31 -0.78 113.70 117.77 3gvp s SER 416 Ca 0.00 1.67 -0.10 0.00 1.31 0.00 0.00 55.95 58.83 3gvp s SER 416 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3gvp s SER 416 CO 0.00 -1.04 0.17 -0.63 0.41 0.00 0.00 173.24 172.15 3gvp s ILE 417 N -2.70 4.78 -0.16 1.44 1.09 0.12 -4.39 121.20 121.38 3gvp s ILE 417 Ca 0.60 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.82 3gvp s ILE 417 Cb -0.13 -3.42 -0.02 0.00 -1.06 0.00 0.00 42.46 37.83 3gvp s ILE 417 CO 0.41 0.09 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.56 3gvp s VAL 418 N 1.65 3.34 0.07 2.92 1.01 -1.26 -0.34 120.40 127.79 3gvp s VAL 418 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3gvp s VAL 418 Cb -0.17 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3gvp s VAL 418 CO 0.07 0.50 0.04 -0.31 0.00 0.00 0.00 175.10 175.40 3gvp s TYR 419 N 0.58 3.11 0.00 5.22 2.02 0.72 -4.10 117.35 124.90 3gvp s TYR 419 Ca -0.06 0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.75 3gvp s TYR 419 Cb -0.15 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 3gvp s TYR 419 CO 0.03 0.50 -0.19 0.08 -1.57 0.00 0.00 175.55 174.40 3gvp s VAL 420 N -1.31 1.50 0.11 0.71 1.01 -0.06 -0.98 120.40 121.38 3gvp s VAL 420 Ca 0.26 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3gvp s VAL 420 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3gvp s VAL 420 CO 0.19 0.35 -0.12 0.42 0.00 0.00 0.00 175.10 175.94 3gvp s THR 421 N -0.54 3.22 -0.01 3.92 -4.23 -0.58 -0.54 115.64 116.89 3gvp s THR 421 Ca 0.07 -1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 59.00 3gvp s THR 421 Cb -0.08 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.30 3gvp s THR 421 CO -0.00 0.09 0.50 -1.61 -0.54 0.00 0.00 174.62 173.06 3gvp s GLU 422 N -2.23 0.92 -0.01 3.99 0.41 -1.26 -0.95 118.70 119.56 3gvp s GLU 422 Ca 0.21 -0.07 0.18 0.00 -0.41 0.00 0.00 54.97 54.88 3gvp s GLU 422 Cb -0.11 0.42 -0.24 0.00 -1.78 0.00 0.00 34.13 32.42 3gvp s GLU 422 CO 0.13 -0.29 0.57 0.44 -0.49 0.00 0.00 175.26 175.62 3gvp n ILE 423 N 0.86 0.00 -3.66 -1.63 -5.35 -1.26 -4.94 119.36 103.39 3gvp n ILE 423 Ca -0.20 -0.25 -0.38 0.00 -0.27 0.00 0.00 62.75 61.65 3gvp n ILE 423 Cb 0.58 0.53 -0.12 0.00 -1.74 0.00 0.00 39.64 38.89 3gvp n ILE 423 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3gvp s ASP 424 N -3.40 5.59 0.56 7.28 -1.08 -1.26 -4.98 116.67 119.38 3gvp s ASP 424 Ca -0.00 -0.28 0.30 0.00 -0.52 0.00 0.00 52.55 52.05 3gvp s ASP 424 Cb 0.12 -2.02 1.65 0.00 -1.46 0.00 0.00 42.92 41.21 3gvp s ASP 424 CO 0.74 -0.11 2.15 1.55 0.52 0.00 0.00 175.17 180.02 3gvp h PRO 425 N 8.33 0.00 -0.01 4.34 0.13 -1.99 -0.88 132.00 141.92 3gvp h PRO 425 Ca -0.35 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 3gvp h PRO 425 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gvp h PRO 425 CO 0.59 0.07 -0.13 0.82 -0.23 0.00 0.00 178.00 179.12 3gvp h ILE 426 N 0.00 1.53 -0.65 -3.56 2.04 -1.99 -0.78 117.51 114.10 3gvp h ILE 426 Ca -0.00 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 3gvp h ILE 426 Cb 0.21 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3gvp h ILE 426 CO 0.01 0.47 0.32 0.00 0.00 0.00 0.00 178.15 178.95 3gvp h ALA 428 N 1.44 0.46 -0.97 0.00 0.00 -1.06 -1.39 119.26 117.74 3gvp h ALA 428 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gvp h ALA 428 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3gvp h ALA 428 CO -0.03 -0.17 0.62 1.25 0.00 0.00 0.00 179.25 180.92 3gvp h LEU 429 N 0.39 1.13 -0.96 0.00 5.85 -1.00 -1.65 115.31 119.08 3gvp h LEU 429 Ca 0.16 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3gvp h LEU 429 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3gvp h LEU 429 CO -0.10 0.84 0.35 1.56 -0.34 0.00 0.00 178.44 180.75 3gvp h GLN 430 N 1.32 1.10 -0.53 1.25 4.20 -0.91 -1.02 115.11 120.53 3gvp h GLN 430 Ca 0.35 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3gvp h GLN 430 Cb -0.12 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.43 3gvp h GLN 430 CO -0.07 0.86 0.35 0.00 -0.67 0.00 0.00 178.83 179.29 3gvp h ALA 431 N 1.30 0.67 -0.26 3.87 0.00 -0.39 -0.14 119.26 124.31 3gvp h ALA 431 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3gvp h ALA 431 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3gvp h ALA 431 CO -0.03 0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.43 3gvp h MET 433 N 0.23 0.00 -0.00 0.00 2.07 -0.89 -1.52 114.93 114.82 3gvp h MET 433 Ca 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 3gvp h MET 433 Cb 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3gvp h MET 433 CO -0.10 0.14 -0.10 -0.25 1.07 0.00 0.00 176.91 177.66 3gvp n ASP 434 N -3.58 0.50 0.00 1.22 8.00 -0.09 -4.94 116.55 117.67 3gvp n ASP 434 Ca -0.01 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3gvp n ASP 434 Cb 0.27 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3gvp n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvp n GLY 435 N 1.26 1.35 3.48 0.44 0.00 -0.57 -5.06 105.19 106.08 3gvp n GLY 435 Ca 0.15 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3gvp n GLY 435 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gvp s PHE 436 N -2.00 2.60 0.20 1.61 0.08 -0.84 -5.03 117.98 114.60 3gvp s PHE 436 Ca 0.00 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 3gvp s PHE 436 Cb 0.00 -1.47 -0.08 0.00 -0.57 0.00 0.00 43.02 40.90 3gvp s PHE 436 CO 0.00 0.28 1.15 1.03 -0.10 0.00 0.00 175.22 177.58 3gvp s ARG 437 N -1.52 4.55 -0.31 0.44 1.81 -1.26 -3.87 118.95 118.80 3gvp s ARG 437 Ca 0.15 1.82 -0.06 0.00 -1.72 0.00 0.00 55.73 55.92 3gvp s ARG 437 Cb -0.11 -3.24 0.02 0.00 -0.45 0.00 0.00 34.95 31.18 3gvp s ARG 437 CO 0.06 0.01 0.08 -1.17 -0.68 0.00 0.00 175.30 173.60 3gvp s LEU 438 N -0.53 3.96 0.16 2.53 1.98 -1.26 -0.88 118.68 124.64 3gvp s LEU 438 Ca 0.50 -0.88 0.05 0.00 -2.89 0.00 0.00 54.13 50.92 3gvp s LEU 438 Cb -0.32 -1.86 -0.04 0.00 0.66 0.00 0.00 46.19 44.63 3gvp s LEU 438 CO 0.37 -0.23 -0.11 0.68 -1.89 0.00 0.00 176.35 175.17 3gvp s VAL 439 N 1.45 1.30 0.32 1.68 -7.23 0.30 -4.97 120.40 113.25 3gvp s VAL 439 Ca 0.01 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 3gvp s VAL 439 Cb -0.18 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3gvp s VAL 439 CO 0.02 -0.71 0.99 -0.54 -0.31 0.00 0.00 175.10 174.55 3gvp s LYS 440 N -3.71 4.53 0.25 4.82 1.02 -1.26 -4.01 119.74 121.37 3gvp s LYS 440 Ca 0.18 1.46 -0.04 0.00 0.02 0.00 0.00 55.97 57.59 3gvp s LYS 440 Cb 0.02 -2.85 0.46 0.00 -0.52 0.00 0.00 37.83 34.94 3gvp s LYS 440 CO 0.02 0.20 1.72 1.25 -0.92 0.00 0.00 175.35 177.62 3gvp h LEU 441 N 3.22 0.26 -1.52 3.17 5.85 -1.98 -1.35 115.31 122.97 3gvp h LEU 441 Ca -0.47 0.11 0.25 0.00 0.84 0.00 0.00 57.88 58.61 3gvp h LEU 441 Cb 1.20 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 3gvp h LEU 441 CO 0.65 0.09 0.66 0.78 -0.34 0.00 0.00 178.44 180.28 3gvp h ASN 442 N 0.43 0.36 0.58 1.25 2.35 -1.99 0.14 115.58 118.69 3gvp h ASN 442 Ca 0.42 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.20 3gvp h ASN 442 Cb 0.64 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3gvp h ASN 442 CO -0.41 0.10 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.03 3gvp h GLU 443 N 0.34 0.00 0.00 0.81 5.08 -1.64 -3.28 114.58 115.89 3gvp h GLU 443 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3gvp h GLU 443 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3gvp h GLU 443 CO -0.21 0.11 0.00 1.33 -1.00 0.00 0.00 179.01 179.24 3gvp n VAL 444 N -3.42 0.00 -0.30 3.13 0.24 -0.60 -4.81 118.33 112.57 3gvp n VAL 444 Ca -0.01 -0.37 0.23 0.00 -2.04 0.00 0.00 64.34 62.15 3gvp n VAL 444 Cb 0.28 1.01 0.54 0.00 -1.47 0.00 0.00 33.84 34.20 3gvp n VAL 444 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3gvp h ILE 445 N 0.01 0.55 0.00 1.34 6.09 -0.82 -1.22 117.51 123.46 3gvp h ILE 445 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3gvp h ILE 445 Cb 0.00 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.48 3gvp h ILE 445 CO 0.00 0.06 -0.22 0.54 -3.07 0.00 0.00 178.15 175.46 3gvp n ARG 446 N -4.53 0.25 -0.00 2.19 1.74 -1.26 -4.04 116.66 111.01 3gvp n ARG 446 Ca 0.23 0.16 0.05 0.00 -0.77 0.00 0.00 57.85 57.52 3gvp n ARG 446 Cb 0.87 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 3gvp n ARG 446 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gvp n GLN 447 N -2.16 1.68 -2.28 5.56 10.64 -0.51 -4.02 117.38 126.28 3gvp n GLN 447 Ca 0.05 -0.05 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 3gvp n GLN 447 Cb 0.43 -1.12 -0.00 0.00 -0.86 0.00 0.00 30.24 28.68 3gvp n GLN 447 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3gvp s VAL 448 N -2.38 3.27 -0.11 -0.39 -7.23 -0.88 -4.86 120.40 107.83 3gvp s VAL 448 Ca -0.01 0.78 0.16 0.00 -1.81 0.00 0.00 61.98 61.11 3gvp s VAL 448 Cb 0.07 -3.31 -0.19 0.00 0.56 0.00 0.00 36.38 33.50 3gvp s VAL 448 CO 0.40 -0.18 0.62 0.47 -0.31 0.00 0.00 175.10 176.10 3gvp n ASP 449 N -1.30 0.65 -3.82 4.85 8.00 0.46 -4.68 116.55 120.71 3gvp n ASP 449 Ca 0.11 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.75 3gvp n ASP 449 Cb 0.51 0.39 -0.16 0.00 -0.02 0.00 0.00 41.12 41.85 3gvp n ASP 449 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gvp s ILE 450 N -2.81 0.05 -0.12 0.53 1.01 -0.98 -1.12 121.20 117.76 3gvp s ILE 450 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.73 3gvp s ILE 450 Cb 0.08 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.41 3gvp s ILE 450 CO 0.83 0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.97 3gvp s VAL 451 N 0.77 2.40 -0.09 2.92 1.01 0.33 -1.30 120.40 126.44 3gvp s VAL 451 Ca -0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3gvp s VAL 451 Cb -0.10 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3gvp s VAL 451 CO -0.02 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.95 3gvp s ILE 452 N 0.51 0.74 -0.14 2.22 1.01 -0.24 -1.14 121.20 124.15 3gvp s ILE 452 Ca -0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3gvp s ILE 452 Cb -0.17 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 3gvp s ILE 452 CO 0.05 0.32 0.26 0.42 0.00 0.00 0.00 174.94 175.98 3gvp s THR 453 N 1.75 5.32 -0.29 2.92 -4.23 -0.74 -0.62 115.64 119.75 3gvp s THR 453 Ca 0.04 0.48 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 3gvp s THR 453 Cb -0.13 -3.59 0.49 0.00 1.34 0.00 0.00 72.50 70.61 3gvp s THR 453 CO -0.06 0.45 1.12 0.00 -0.54 0.00 0.00 174.62 175.58 3gvp n THR 455 N -0.55 0.95 -1.00 0.00 -2.24 -1.24 -4.54 114.28 105.67 3gvp n THR 455 Ca 0.05 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3gvp n THR 455 Cb 0.81 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3gvp n THR 455 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gvp n GLY 456 N 2.13 0.32 3.81 3.38 0.00 -1.26 -5.03 105.19 108.54 3gvp n GLY 456 Ca -0.23 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3gvp n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gvp s ASN 457 N -2.00 4.65 0.19 1.61 3.84 -1.26 -4.93 114.94 117.03 3gvp s ASN 457 Ca 0.00 -1.02 0.08 0.00 0.21 0.00 0.00 52.86 52.13 3gvp s ASN 457 Cb 0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 41.25 40.34 3gvp s ASN 457 CO 0.00 -0.69 -0.03 -1.59 -2.79 0.00 0.00 177.10 172.01 3gvp s LYS 458 N -4.04 2.30 -1.47 0.43 -2.85 -1.26 -3.83 119.74 109.01 3gvp s LYS 458 Ca 0.41 -1.20 -0.11 0.00 -1.00 0.00 0.00 55.97 54.07 3gvp s LYS 458 Cb 0.01 -2.28 0.06 0.00 -2.06 0.00 0.00 37.83 33.56 3gvp s LYS 458 CO 0.23 0.44 1.02 0.09 0.10 0.00 0.00 175.35 177.23 3gvp n ASN 459 N -0.20 -4.88 0.04 0.03 3.02 -0.34 -4.88 115.26 108.04 3gvp n ASN 459 Ca -0.09 -0.72 -0.20 0.00 -0.03 0.00 0.00 54.58 53.54 3gvp n ASN 459 Cb 0.56 -4.21 -0.11 0.00 -0.61 0.00 0.00 39.78 35.42 3gvp n ASN 459 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gvp h VAL 460 N -2.23 1.29 -3.66 2.41 2.07 -1.18 -3.40 116.25 111.55 3gvp h VAL 460 Ca -0.58 -2.23 -0.70 0.00 0.82 0.00 0.00 66.70 64.02 3gvp h VAL 460 Cb 1.37 2.40 -0.28 0.00 -1.52 0.00 0.00 31.29 33.26 3gvp h VAL 460 CO 0.63 0.69 -0.60 -0.69 0.02 0.00 0.00 177.57 177.62 3gvp s VAL 461 N -3.31 3.87 0.59 2.57 1.01 -0.74 -5.03 120.40 119.36 3gvp s VAL 461 Ca -0.10 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3gvp s VAL 461 Cb 0.07 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.34 3gvp s VAL 461 CO 0.91 -0.17 0.82 0.42 0.00 0.00 0.00 175.10 177.09 3gvp s THR 462 N 1.42 2.48 0.22 3.92 -4.23 -1.26 -1.55 115.64 116.63 3gvp s THR 462 Ca -0.01 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 3gvp s THR 462 Cb -0.19 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.05 3gvp s THR 462 CO 0.03 0.00 1.82 -0.09 -0.54 0.00 0.00 174.62 175.85 3gvp h ARG 463 N -0.04 0.76 -0.60 3.99 9.65 -1.94 -0.98 114.38 125.22 3gvp h ARG 463 Ca -0.39 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.44 3gvp h ARG 463 Cb 1.29 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 3gvp h ARG 463 CO 0.46 0.50 0.34 1.49 2.80 0.00 0.00 179.97 185.57 3gvp h GLU 464 N 0.78 0.83 -0.36 0.20 4.57 -1.98 0.21 114.58 118.83 3gvp h GLU 464 Ca 0.32 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.48 3gvp h GLU 464 Cb 0.16 -0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3gvp h GLU 464 CO -0.17 0.62 -0.06 0.45 -1.18 0.00 0.00 179.01 178.66 3gvp h HIS 465 N 0.81 -0.14 -0.99 0.92 3.86 -1.81 0.46 115.15 118.26 3gvp h HIS 465 Ca 0.21 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3gvp h HIS 465 Cb 0.02 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3gvp h HIS 465 CO -0.01 -0.13 0.66 -0.07 0.86 0.00 0.00 177.93 179.23 3gvp h LEU 466 N 0.03 1.11 -0.97 2.43 3.38 -0.60 -0.76 115.31 119.94 3gvp h LEU 466 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3gvp h LEU 466 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gvp h LEU 466 CO -0.35 0.78 -0.01 0.44 0.09 0.00 0.00 178.44 179.39 3gvp h ASP 467 N 1.30 0.70 1.33 -0.43 3.32 -0.08 -3.03 116.42 119.53 3gvp h ASP 467 Ca 0.38 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gvp h ASP 467 Cb -0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3gvp h ASP 467 CO -0.10 0.78 -0.13 0.54 -1.72 0.00 0.00 179.24 178.61 3gvp n ARG 468 N -4.22 0.26 -1.75 3.56 1.74 0.10 -4.89 116.66 111.45 3gvp n ARG 468 Ca 0.02 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.89 3gvp n ARG 468 Cb 0.30 -1.77 0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3gvp n ARG 468 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gvp n MET 469 N -2.20 2.06 -1.59 5.56 2.81 -0.38 -4.13 117.12 119.24 3gvp n MET 469 Ca 0.05 0.74 -0.31 0.00 -1.81 0.00 0.00 57.70 56.37 3gvp n MET 469 Cb 0.43 -2.59 0.06 0.00 -0.71 0.00 0.00 33.22 30.41 3gvp n MET 469 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3gvp s LYS 470 N -2.55 2.68 0.19 0.03 -2.85 -1.26 -4.97 119.74 111.00 3gvp s LYS 470 Ca 0.64 0.81 -0.33 0.00 -1.00 0.00 0.00 55.97 56.10 3gvp s LYS 470 Cb -0.44 -1.97 -0.14 0.00 -2.06 0.00 0.00 37.83 33.21 3gvp s LYS 470 CO 0.55 -1.25 1.48 -1.71 0.10 0.00 0.00 175.35 174.52 3gvp n ASN 471 N -3.21 2.79 0.00 0.03 5.15 -1.26 -2.09 115.26 116.67 3gvp n ASN 471 Ca 0.07 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.16 3gvp n ASN 471 Cb 0.55 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 3gvp n ASN 471 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3gvp n SER 472 N 2.80 -2.96 -4.76 1.20 3.41 0.22 -4.95 113.62 108.58 3gvp n SER 472 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 3gvp n SER 472 Cb 0.29 -0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 3gvp n SER 472 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gvp s ILE 474 N -0.28 5.43 -0.08 0.00 1.01 -0.27 -0.28 121.20 126.73 3gvp s ILE 474 Ca 0.61 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.54 3gvp s ILE 474 Cb -0.48 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.54 3gvp s ILE 474 CO 0.52 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 175.16 3gvp s VAL 475 N -0.37 1.34 0.16 2.92 1.01 0.68 -0.52 120.40 125.63 3gvp s VAL 475 Ca 0.13 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3gvp s VAL 475 Cb -0.12 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3gvp s VAL 475 CO 0.02 0.40 0.37 0.00 0.00 0.00 0.00 175.10 175.89 3gvp s ASN 477 N -2.90 2.82 -0.03 0.00 2.47 -1.26 -1.79 114.94 114.25 3gvp s ASN 477 Ca 0.11 -0.51 0.05 0.00 0.42 0.00 0.00 52.86 52.93 3gvp s ASN 477 Cb 0.02 -1.29 0.07 0.00 -1.45 0.00 0.00 41.25 38.60 3gvp s ASN 477 CO -0.04 0.13 1.01 0.23 -3.72 0.00 0.00 177.10 174.71 3gvp n MET 478 N 3.60 2.29 0.00 0.43 2.81 0.12 -1.05 117.12 125.33 3gvp n MET 478 Ca -0.20 -1.70 0.00 0.00 -1.81 0.00 0.00 57.70 53.99 3gvp n MET 478 Cb 0.53 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 3gvp n MET 478 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gvp n GLY 479 N -0.69 0.14 3.23 3.03 0.00 -1.01 -4.83 105.19 105.06 3gvp n GLY 479 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3gvp n GLY 479 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gvp s HIS 480 N 1.43 1.31 0.00 1.61 -3.43 -1.26 -4.91 115.29 110.04 3gvp s HIS 480 Ca 0.00 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 3gvp s HIS 480 Cb 0.00 -0.69 0.00 0.00 -1.43 0.00 0.00 32.58 30.46 3gvp s HIS 480 CO 0.00 0.11 0.00 0.45 -2.00 0.00 0.00 174.74 173.30 3gvp n SER 481 N 0.47 0.00 -0.88 7.38 2.88 -1.26 -4.18 113.62 118.02 3gvp n SER 481 Ca -0.15 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.41 3gvp n SER 481 Cb 0.57 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 3gvp n SER 481 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3gvp n ASN 482 N -1.19 0.60 -0.16 -3.46 6.94 -1.26 -3.82 115.26 112.90 3gvp n ASN 482 Ca 0.00 -2.14 0.04 0.00 -0.02 0.00 0.00 54.58 52.46 3gvp n ASN 482 Cb 0.00 -0.27 -0.01 0.00 -2.36 0.00 0.00 39.78 37.15 3gvp n ASN 482 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3gvp n THR 483 N 0.08 0.00 -0.16 5.53 -2.24 -1.26 -4.52 114.28 111.71 3gvp n THR 483 Ca 0.04 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 3gvp n THR 483 Cb 0.88 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 3gvp n THR 483 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3gvp h GLU 484 N 0.79 0.72 -5.73 -0.78 5.08 -1.77 -0.90 114.58 111.99 3gvp h GLU 484 Ca 0.00 -0.16 -0.60 0.00 -1.00 0.00 0.00 59.36 57.60 3gvp h GLU 484 Cb 0.26 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 3gvp h GLU 484 CO 0.00 0.70 -0.24 0.42 -1.00 0.00 0.00 179.01 178.88 3gvp s ILE 485 N -5.38 5.20 -1.36 3.13 1.01 -1.26 -0.75 121.20 121.78 3gvp s ILE 485 Ca -0.13 0.73 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 3gvp s ILE 485 Cb 0.11 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.95 3gvp s ILE 485 CO 0.78 0.45 1.91 -0.67 0.00 0.00 0.00 174.94 177.41 3gvp n ASP 486 N 2.95 4.56 -0.13 3.58 -0.08 -0.60 -4.74 116.55 122.09 3gvp n ASP 486 Ca -0.12 -2.89 -0.10 0.00 -1.51 0.00 0.00 54.79 50.17 3gvp n ASP 486 Cb 0.52 -1.71 0.03 0.00 2.34 0.00 0.00 41.12 42.30 3gvp n ASP 486 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3gvp h VAL 487 N 4.98 1.27 -1.04 5.18 2.07 -1.89 -2.53 116.25 124.29 3gvp h VAL 487 Ca 0.49 -1.38 0.29 0.00 0.82 0.00 0.00 66.70 66.91 3gvp h VAL 487 Cb 0.79 1.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.60 3gvp h VAL 487 CO 1.61 0.47 0.63 0.00 0.02 0.00 0.00 177.57 180.31 3gvp h ALA 488 N 0.94 2.04 0.00 1.67 0.00 -1.90 0.43 119.26 122.43 3gvp h ALA 488 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gvp h ALA 488 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3gvp h ALA 488 CO 0.07 -0.54 0.00 -1.13 0.00 0.00 0.00 179.25 177.65 3gvp n SER 489 N -4.83 0.31 -0.76 0.00 3.41 -0.95 -1.51 113.62 109.28 3gvp n SER 489 Ca 0.28 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.60 3gvp n SER 489 Cb 0.90 -0.65 0.31 0.00 -0.26 0.00 0.00 64.21 64.51 3gvp n SER 489 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gvp n LEU 490 N -1.86 2.30 -2.15 1.04 4.77 0.14 -4.30 117.00 116.93 3gvp n LEU 490 Ca 0.02 -0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 3gvp n LEU 490 Cb 0.13 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3gvp n LEU 490 CO 0.12 0.48 1.34 0.54 -1.33 0.00 0.00 177.39 178.54 3gvp n ARG 491 N 0.74 2.33 -3.63 3.23 5.12 -0.57 -4.83 116.66 119.05 3gvp n ARG 491 Ca 0.17 -2.66 -0.33 0.00 -1.93 0.00 0.00 57.85 53.11 3gvp n ARG 491 Cb 0.43 -2.04 -0.05 0.00 -1.16 0.00 0.00 32.46 29.64 3gvp n ARG 491 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gvp s THR 492 N -3.76 5.14 0.43 0.55 -4.23 -1.26 -4.99 115.64 107.52 3gvp s THR 492 Ca 0.52 0.20 0.12 0.00 -1.18 0.00 0.00 61.69 61.35 3gvp s THR 492 Cb 0.41 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.94 3gvp s THR 492 CO 0.01 0.13 2.00 -0.65 -0.54 0.00 0.00 174.62 175.57 3gvp h PRO 493 N 3.16 0.42 -0.27 3.99 0.11 -1.98 -0.43 132.00 136.99 3gvp h PRO 493 Ca -0.47 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3gvp h PRO 493 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gvp h PRO 493 CO 0.70 0.27 0.22 1.05 -0.21 0.00 0.00 178.00 180.03 3gvp h GLU 494 N 0.43 0.00 -6.16 1.05 4.11 -1.97 -3.44 114.58 108.60 3gvp h GLU 494 Ca 0.24 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.09 3gvp h GLU 494 Cb 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3gvp h GLU 494 CO -0.06 0.00 -0.23 -0.51 0.07 0.00 0.00 179.01 178.27 3gvp s LEU 495 N -8.52 4.32 -0.09 3.06 1.43 -0.17 -4.27 118.68 114.43 3gvp s LEU 495 Ca -0.05 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3gvp s LEU 495 Cb 0.18 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 3gvp s LEU 495 CO 0.66 0.13 -0.13 -0.89 0.23 0.00 0.00 176.35 176.35 3gvp s THR 496 N -1.47 3.08 -0.08 5.49 2.01 -0.53 -4.86 115.64 119.27 3gvp s THR 496 Ca 0.36 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3gvp s THR 496 Cb -0.13 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 3gvp s THR 496 CO 0.19 0.56 -0.06 0.26 -0.69 0.00 0.00 174.62 174.88 3gvp s TRP 497 N -0.16 2.97 -0.07 4.92 0.52 -1.26 0.18 118.94 126.05 3gvp s TRP 497 Ca -0.00 0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.13 3gvp s TRP 497 Cb -0.13 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.46 3gvp s TRP 497 CO 0.03 0.31 -0.08 -1.21 0.02 0.00 0.00 176.95 176.03 3gvp s GLU 498 N -0.71 1.29 -0.49 4.98 2.02 0.14 -4.99 118.70 120.94 3gvp s GLU 498 Ca 0.11 -0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 3gvp s GLU 498 Cb -0.11 -1.21 0.03 0.00 0.10 0.00 0.00 34.13 32.94 3gvp s GLU 498 CO 0.02 -0.08 1.11 0.50 0.02 0.00 0.00 175.26 176.82 3gvp s ARG 499 N 1.01 3.66 0.02 1.61 6.06 -1.26 -0.56 118.95 129.50 3gvp s ARG 499 Ca -0.09 0.45 0.22 0.00 -2.50 0.00 0.00 55.73 53.81 3gvp s ARG 499 Cb -0.15 -3.93 -0.15 0.00 0.06 0.00 0.00 34.95 30.79 3gvp s ARG 499 CO -0.00 -1.39 0.80 1.33 -2.50 0.00 0.00 175.30 173.53 3gvp n VAL 500 N 6.76 0.12 -3.54 7.11 0.24 -0.51 -4.99 118.33 123.52 3gvp n VAL 500 Ca 0.11 -0.32 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 3gvp n VAL 500 Cb 0.49 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.07 3gvp n VAL 500 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3gvp s ARG 501 N -3.30 1.07 0.09 7.34 3.52 -1.22 -5.04 118.95 121.41 3gvp s ARG 501 Ca -0.00 -0.44 -0.35 0.00 -0.13 0.00 0.00 55.73 54.81 3gvp s ARG 501 Cb 0.14 0.46 -0.14 0.00 -1.56 0.00 0.00 34.95 33.85 3gvp s ARG 501 CO 0.85 -0.47 1.60 0.45 -0.81 0.00 0.00 175.30 176.92 3gvp n SER 502 N -0.33 2.89 -0.42 -2.12 2.88 -1.26 -1.67 113.62 113.59 3gvp n SER 502 Ca -0.11 1.07 -0.05 0.00 -1.33 0.00 0.00 58.87 58.45 3gvp n SER 502 Cb 0.62 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 3gvp n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gvp n GLN 503 N 3.89 -0.79 -3.78 -1.46 1.13 -1.26 -4.94 117.38 110.18 3gvp n GLN 503 Ca 0.19 0.57 -0.26 0.00 -1.94 0.00 0.00 57.00 55.56 3gvp n GLN 503 Cb 0.27 -4.39 -0.17 0.00 0.11 0.00 0.00 30.24 26.05 3gvp n GLN 503 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gvp s VAL 504 N -1.99 0.55 -0.12 5.09 1.01 -0.67 0.05 120.40 124.30 3gvp s VAL 504 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3gvp s VAL 504 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3gvp s VAL 504 CO 0.00 0.06 -0.13 -1.81 0.00 0.00 0.00 175.10 173.22 3gvp s ASP 505 N 1.88 4.05 -0.23 3.32 1.01 -0.79 -1.43 116.67 124.48 3gvp s ASP 505 Ca 0.02 -0.30 -0.24 0.00 0.71 0.00 0.00 52.55 52.74 3gvp s ASP 505 Cb -0.15 -1.55 -0.01 0.00 1.01 0.00 0.00 42.92 42.23 3gvp s ASP 505 CO -0.07 0.18 0.78 -1.00 0.21 0.00 0.00 175.17 175.28 3gvp s HIS 506 N 0.24 3.32 -0.26 4.23 3.76 0.28 -0.89 115.29 125.97 3gvp s HIS 506 Ca -0.09 1.08 -0.11 0.00 -0.15 0.00 0.00 55.06 55.79 3gvp s HIS 506 Cb -0.15 -2.99 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 3gvp s HIS 506 CO 0.05 -0.36 0.20 0.08 -0.85 0.00 0.00 174.74 173.87 3gvp s VAL 507 N 2.65 5.32 -0.08 -0.90 1.01 -0.59 -0.68 120.40 127.12 3gvp s VAL 507 Ca 0.33 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.60 3gvp s VAL 507 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3gvp s VAL 507 CO 0.08 0.29 -0.24 -0.63 0.00 0.00 0.00 175.10 174.60 3gvp s ILE 508 N 1.44 2.02 0.47 2.22 1.01 0.13 -1.28 121.20 127.21 3gvp s ILE 508 Ca 0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3gvp s ILE 508 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3gvp s ILE 508 CO 0.08 0.56 0.75 0.26 0.00 0.00 0.00 174.94 176.59 3gvp s TRP 509 N 0.08 3.46 0.36 3.97 0.51 0.13 -1.46 118.94 125.99 3gvp s TRP 509 Ca -0.11 0.64 0.13 0.00 -2.12 0.00 0.00 56.10 54.64 3gvp s TRP 509 Cb -0.16 -2.31 0.97 0.00 -0.81 0.00 0.00 33.47 31.16 3gvp s TRP 509 CO 0.06 -0.31 1.77 -1.35 -0.51 0.00 0.00 176.95 176.61 3gvp h PRO 510 N 0.26 0.51 -0.01 4.98 0.11 -1.89 0.77 132.00 136.74 3gvp h PRO 510 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gvp h PRO 510 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gvp h PRO 510 CO 0.61 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3gvp n ASP 511 N -4.71 0.31 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.69 3gvp n ASP 511 Ca 0.25 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 3gvp n ASP 511 Cb 0.76 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 3gvp n ASP 511 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gvp n GLY 512 N 1.01 0.10 3.76 6.12 0.00 0.26 -5.06 105.19 111.37 3gvp n GLY 512 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3gvp n GLY 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gvp n LYS 513 N -1.98 2.02 -4.27 1.61 4.81 -1.26 -4.67 118.16 114.42 3gvp n LYS 513 Ca 0.00 0.73 -0.18 0.00 -0.87 0.00 0.00 58.31 57.99 3gvp n LYS 513 Cb 0.00 -2.62 -0.15 0.00 0.02 0.00 0.00 35.03 32.28 3gvp n LYS 513 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3gvp s ARG 514 N -2.66 0.63 0.14 1.64 3.52 -1.26 0.17 118.95 121.12 3gvp s ARG 514 Ca 0.66 -0.25 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3gvp s ARG 514 Cb -0.43 -0.61 -0.04 0.00 -1.56 0.00 0.00 34.95 32.31 3gvp s ARG 514 CO 0.54 0.14 -0.18 0.96 -0.81 0.00 0.00 175.30 175.94 3gvp s ILE 515 N -0.07 2.79 -0.37 4.11 -5.25 -0.41 0.72 121.20 122.72 3gvp s ILE 515 Ca 0.01 -1.61 -0.12 0.00 -0.99 0.00 0.00 60.65 57.95 3gvp s ILE 515 Cb -0.04 -2.30 0.02 0.00 2.95 0.00 0.00 42.46 43.09 3gvp s ILE 515 CO -0.00 0.04 0.22 -0.69 -1.79 0.00 0.00 174.94 172.72 3gvp s VAL 516 N -1.28 4.75 -0.17 8.37 1.01 0.61 -1.54 120.40 132.15 3gvp s VAL 516 Ca 0.19 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 3gvp s VAL 516 Cb -0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3gvp s VAL 516 CO 0.11 -0.22 0.12 -0.22 0.00 0.00 0.00 175.10 174.89 3gvp s LEU 517 N 1.59 4.17 -0.13 3.92 2.96 -0.07 -0.23 118.68 130.90 3gvp s LEU 517 Ca 0.03 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3gvp s LEU 517 Cb -0.19 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3gvp s LEU 517 CO 0.07 0.24 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.52 3gvp s LEU 518 N -0.03 3.09 -1.53 -0.68 1.43 -0.67 -1.89 118.68 118.40 3gvp s LEU 518 Ca 0.09 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3gvp s LEU 518 Cb -0.11 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3gvp s LEU 518 CO -0.00 0.22 0.20 0.00 0.23 0.00 0.00 176.35 177.00 3gvp n ALA 519 N 3.18 -0.78 -2.56 4.21 0.00 0.11 -1.06 120.51 123.60 3gvp n ALA 519 Ca -0.18 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3gvp n ALA 519 Cb 0.53 -2.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.43 3gvp n ALA 519 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gvp n GLU 520 N -3.30 -2.62 -0.99 0.00 1.02 -1.26 -0.93 120.64 112.55 3gvp n GLU 520 Ca -0.17 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3gvp n GLU 520 Cb 0.64 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.20 3gvp n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvp n GLY 521 N -0.69 0.58 3.88 0.62 0.00 -0.23 -4.92 105.19 104.44 3gvp n GLY 521 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3gvp n GLY 521 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gvp s ARG 522 N -0.10 1.19 -0.06 1.61 0.52 -0.11 -4.17 118.95 117.83 3gvp s ARG 522 Ca 0.00 -0.07 -0.34 0.00 -0.52 0.00 0.00 55.73 54.81 3gvp s ARG 522 Cb 0.00 -1.88 -0.11 0.00 0.52 0.00 0.00 34.95 33.48 3gvp s ARG 522 CO 0.00 -2.09 1.88 1.28 0.02 0.00 0.00 175.30 176.39 3gvp n LEU 523 N -3.62 3.55 -0.25 2.53 4.32 -1.25 -4.22 117.00 118.06 3gvp n LEU 523 Ca 0.11 0.97 -0.05 0.00 -0.02 0.00 0.00 56.01 57.01 3gvp n LEU 523 Cb 0.60 -1.40 0.05 0.00 -1.62 0.00 0.00 43.42 41.06 3gvp n LEU 523 CO 0.52 -0.02 1.16 0.25 -1.22 0.00 0.00 177.39 178.08 3gvp h LEU 524 N 9.24 0.82 -1.37 2.23 5.85 -1.43 -3.03 115.31 127.62 3gvp h LEU 524 Ca -0.48 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 3gvp h LEU 524 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3gvp h LEU 524 CO 0.94 0.61 -0.32 -0.55 -0.34 0.00 0.00 178.44 178.79 3gvp h ASN 525 N 0.95 0.00 0.17 1.25 -1.07 -1.87 -0.55 115.58 114.46 3gvp h ASN 525 Ca 0.25 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.54 3gvp h ASN 525 Cb -0.08 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.16 3gvp h ASN 525 CO -0.05 0.32 -0.30 -0.07 0.07 0.00 0.00 177.43 177.39 3gvp h LEU 526 N 0.00 0.22 0.00 6.14 3.38 -1.82 -2.45 115.31 120.77 3gvp h LEU 526 Ca -0.00 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.62 3gvp h LEU 526 Cb 0.57 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3gvp h LEU 526 CO 0.04 0.52 -2.27 -1.20 0.09 0.00 0.00 178.44 175.62 3gvp n SER 527 N -4.12 0.02 -0.03 -0.43 7.64 -1.09 -4.73 113.62 110.88 3gvp n SER 527 Ca -0.01 0.01 0.02 0.00 1.01 0.00 0.00 58.87 59.89 3gvp n SER 527 Cb 0.40 1.23 0.02 0.00 -1.01 0.00 0.00 64.21 64.85 3gvp n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvp s SER 529 N -1.13 0.81 -0.04 0.00 0.15 -0.93 -3.77 113.70 108.79 3gvp s SER 529 Ca 0.05 -1.44 0.03 0.00 0.70 0.00 0.00 55.95 55.29 3gvp s SER 529 Cb 0.05 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 3gvp s SER 529 CO 0.00 -1.22 -0.12 -0.89 1.20 0.00 0.00 173.24 172.21 3gvp s THR 530 N -3.29 1.03 -0.01 6.45 2.01 -1.26 -4.75 115.64 115.82 3gvp s THR 530 Ca 0.31 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3gvp s THR 530 Cb 0.00 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 3gvp s THR 530 CO 0.19 0.31 1.42 -0.69 -0.69 0.00 0.00 174.62 175.16 3gvp s VAL 531 N 0.24 3.71 0.36 3.82 1.01 -1.26 -4.98 120.40 123.29 3gvp s VAL 531 Ca -0.05 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 3gvp s VAL 531 Cb -0.11 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 3gvp s VAL 531 CO 0.01 -0.01 1.30 -2.65 0.00 0.00 0.00 175.10 173.76 3gvp n PRO 532 N 5.54 2.15 -0.33 2.72 -0.02 -1.26 -4.85 135.00 138.95 3gvp n PRO 532 Ca 0.13 0.75 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 3gvp n PRO 532 Cb 0.44 -2.36 0.34 0.00 -0.02 0.00 0.00 33.50 31.89 3gvp n PRO 532 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3gvp h THR 533 N 2.51 0.76 -0.83 3.45 2.02 -1.93 -0.57 112.91 118.32 3gvp h THR 533 Ca -0.47 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 66.56 3gvp h THR 533 Cb 1.28 -0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 3gvp h THR 533 CO 0.62 0.14 0.46 0.15 0.37 0.00 0.00 175.52 177.26 3gvp h PHE 534 N 0.75 0.83 -0.27 3.16 3.57 -1.90 0.28 116.94 123.35 3gvp h PHE 534 Ca 0.53 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.93 3gvp h PHE 534 Cb 0.84 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3gvp h PHE 534 CO -0.00 0.31 -0.38 0.28 -2.23 0.00 0.00 178.31 176.28 3gvp h VAL 535 N 0.75 1.29 -0.04 1.41 2.07 -1.49 -1.87 116.25 118.38 3gvp h VAL 535 Ca 0.41 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3gvp h VAL 535 Cb 0.43 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3gvp h VAL 535 CO -0.28 0.49 -0.29 -0.07 0.02 0.00 0.00 177.57 177.45 3gvp h LEU 536 N 0.52 0.07 -0.50 2.57 3.38 -0.50 -2.23 115.31 118.62 3gvp h LEU 536 Ca 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3gvp h LEU 536 Cb 0.90 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3gvp h LEU 536 CO 0.08 0.36 0.01 -1.28 0.09 0.00 0.00 178.44 177.70 3gvp h SER 537 N 0.06 0.86 -0.42 -0.43 0.87 0.04 -0.09 113.55 114.44 3gvp h SER 537 Ca 0.01 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.31 3gvp h SER 537 Cb 0.55 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 3gvp h SER 537 CO 0.04 0.95 0.17 0.40 -0.53 0.00 0.00 176.83 177.86 3gvp h ILE 538 N 0.74 0.90 -0.01 2.23 1.08 -0.92 -0.58 117.51 120.95 3gvp h ILE 538 Ca 0.14 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3gvp h ILE 538 Cb 0.51 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3gvp h ILE 538 CO 0.02 0.06 -0.00 0.74 -0.69 0.00 0.00 178.15 178.28 3gvp h THR 539 N 0.34 1.30 -0.32 -0.27 2.02 -1.32 -1.93 112.91 112.74 3gvp h THR 539 Ca 0.19 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3gvp h THR 539 Cb 0.16 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3gvp h THR 539 CO -0.18 0.24 0.21 0.00 0.37 0.00 0.00 175.52 176.16 3gvp h ALA 540 N 0.63 0.40 -0.58 6.16 0.00 -0.93 -0.31 119.26 124.63 3gvp h ALA 540 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gvp h ALA 540 Cb 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3gvp h ALA 540 CO 0.00 -0.12 0.28 1.15 0.00 0.00 0.00 179.25 180.56 3gvp h THR 541 N 0.43 0.90 -0.57 0.00 2.02 -1.14 0.37 112.91 114.92 3gvp h THR 541 Ca 0.12 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gvp h THR 541 Cb -0.04 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3gvp h THR 541 CO -0.02 0.09 0.35 0.74 0.37 0.00 0.00 175.52 177.05 3gvp h THR 542 N 0.52 1.16 -0.51 3.16 2.02 -0.72 -2.15 112.91 116.39 3gvp h THR 542 Ca 0.27 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3gvp h THR 542 Cb 0.23 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3gvp h THR 542 CO -0.21 0.17 0.15 1.56 0.37 0.00 0.00 175.52 177.56 3gvp h GLN 543 N 0.77 0.80 -0.44 6.66 4.20 -0.56 -0.96 115.11 125.57 3gvp h GLN 543 Ca 0.20 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3gvp h GLN 543 Cb -0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3gvp h GLN 543 CO -0.04 0.75 0.28 0.00 -0.67 0.00 0.00 178.83 179.15 3gvp h ALA 544 N 1.01 0.56 -0.17 3.87 0.00 -0.76 -1.15 119.26 122.63 3gvp h ALA 544 Ca 0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3gvp h ALA 544 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gvp h ALA 544 CO -0.00 -0.01 -0.54 -0.07 0.00 0.00 0.00 179.25 178.62 3gvp h LEU 545 N 0.57 0.57 -0.93 0.00 3.38 -1.22 -1.28 115.31 116.42 3gvp h LEU 545 Ca 0.17 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3gvp h LEU 545 Cb -0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3gvp h LEU 545 CO -0.05 1.00 0.38 0.00 0.09 0.00 0.00 178.44 179.86 3gvp h ALA 546 N 1.01 1.16 -0.16 1.53 0.00 -0.99 -0.59 119.26 121.23 3gvp h ALA 546 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3gvp h ALA 546 Cb 1.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3gvp h ALA 546 CO 0.10 0.64 0.01 -0.07 0.00 0.00 0.00 179.25 179.93 3gvp h LEU 547 N 1.14 0.26 -0.29 0.00 3.38 -0.78 -1.35 115.31 117.66 3gvp h LEU 547 Ca 0.28 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3gvp h LEU 547 Cb 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3gvp h LEU 547 CO -0.03 0.48 -0.00 0.40 0.09 0.00 0.00 178.44 179.37 3gvp h ILE 548 N 0.03 0.78 0.17 1.22 2.04 -1.19 -0.92 117.51 119.65 3gvp h ILE 548 Ca 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3gvp h ILE 548 Cb 0.34 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3gvp h ILE 548 CO 0.01 0.02 -0.16 -0.08 0.00 0.00 0.00 178.15 177.93 3gvp h GLU 549 N 0.08 -0.34 -0.34 2.37 4.57 -0.95 -1.29 114.58 118.69 3gvp h GLU 549 Ca 0.14 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3gvp h GLU 549 Cb 0.19 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3gvp h GLU 549 CO -0.24 -0.23 0.02 -0.07 -1.18 0.00 0.00 179.01 177.32 3gvp h LEU 550 N -0.35 0.57 -0.73 1.64 3.38 -1.19 -2.48 115.31 116.14 3gvp h LEU 550 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3gvp h LEU 550 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3gvp h LEU 550 CO -0.03 0.72 0.36 0.22 0.09 0.00 0.00 178.44 179.80 3gvp h TYR 551 N 0.41 1.06 -0.51 1.13 3.20 -1.11 -2.98 116.97 118.17 3gvp h TYR 551 Ca 0.10 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3gvp h TYR 551 Cb 0.41 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3gvp h TYR 551 CO 0.03 0.78 0.00 0.09 -1.64 0.00 0.00 178.16 177.42 3gvp n ASN 552 N -4.41 2.93 -4.75 -2.11 3.02 -0.49 -4.99 115.26 104.45 3gvp n ASN 552 Ca 0.06 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 3gvp n ASN 552 Cb 0.13 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3gvp n ASN 552 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gvp s ALA 553 N -1.33 3.47 0.61 5.41 0.00 -0.93 -5.00 121.76 123.99 3gvp s ALA 553 Ca 0.37 1.07 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 3gvp s ALA 553 Cb 0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3gvp s ALA 553 CO 0.26 -0.44 1.12 -1.25 0.00 0.00 0.00 175.76 175.45 3gvp s PRO 554 N -0.98 3.05 0.16 0.00 0.04 -1.26 -4.95 135.00 131.05 3gvp s PRO 554 Ca 0.50 1.48 -0.33 0.00 0.04 0.00 0.00 61.00 62.70 3gvp s PRO 554 Cb -0.36 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.04 3gvp s PRO 554 CO 0.43 -1.07 1.03 -0.85 0.04 0.00 0.00 177.00 176.59 3gvp n GLU 555 N -1.93 0.80 0.00 4.56 0.00 -1.26 -2.38 120.64 120.43 3gvp n GLU 555 Ca 0.11 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.55 3gvp n GLU 555 Cb 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.26 3gvp n GLU 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gvp n GLY 556 N 1.88 3.29 0.15 -1.84 0.00 -1.26 -4.91 105.19 102.51 3gvp n GLY 556 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3gvp n GLY 556 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gvp h ARG 557 N 2.10 -0.28 -6.18 1.61 2.43 -1.85 -3.45 114.38 108.76 3gvp h ARG 557 Ca 0.00 0.02 -0.56 0.00 -0.81 0.00 0.00 59.98 58.63 3gvp h ARG 557 Cb 0.00 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3gvp h ARG 557 CO 0.00 0.06 -0.63 0.71 -1.51 0.00 0.00 179.97 178.61 3gvp s TYR 558 N -4.59 2.71 0.13 2.20 1.51 -1.26 -5.12 117.35 112.92 3gvp s TYR 558 Ca -0.14 -0.24 -0.23 0.00 -1.01 0.00 0.00 57.07 55.45 3gvp s TYR 558 Cb 0.02 -1.26 0.06 0.00 -0.11 0.00 0.00 41.96 40.68 3gvp s TYR 558 CO 0.57 0.58 0.58 0.15 -1.11 0.00 0.00 175.55 176.32 3gvp s LYS 559 N -3.70 1.22 0.00 -0.62 -0.14 -1.26 -4.93 119.74 110.31 3gvp s LYS 559 Ca 0.32 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 3gvp s LYS 559 Cb -0.06 0.56 0.00 0.00 -1.68 0.00 0.00 37.83 36.65 3gvp s LYS 559 CO 0.20 -0.51 0.02 0.00 -0.76 0.00 0.00 175.35 174.31 3gvp n GLN 560 N -0.18 0.00 -3.62 1.68 0.00 -1.26 -4.33 117.38 109.66 3gvp n GLN 560 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.78 3gvp n GLN 560 Cb 0.64 -0.36 -0.02 0.00 0.00 0.00 0.00 30.24 30.50 3gvp n GLN 560 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3gvp s ASP 561 N 0.46 -0.23 -0.22 2.61 -1.08 -1.26 -4.87 116.67 112.08 3gvp s ASP 561 Ca 0.00 -0.17 -0.20 0.00 -0.52 0.00 0.00 52.55 51.66 3gvp s ASP 561 Cb 0.00 0.37 -0.03 0.00 -1.46 0.00 0.00 42.92 41.81 3gvp s ASP 561 CO 0.00 -0.65 0.60 -0.69 0.52 0.00 0.00 175.17 174.95 3gvp s VAL 562 N -3.03 5.03 0.35 1.11 1.01 -1.26 -2.02 120.40 121.59 3gvp s VAL 562 Ca 0.09 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.26 3gvp s VAL 562 Cb -0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3gvp s VAL 562 CO -0.04 0.10 0.10 -0.31 0.00 0.00 0.00 175.10 174.96 3gvp s TYR 563 N 2.03 2.64 0.20 5.22 2.02 0.19 -4.94 117.35 124.71 3gvp s TYR 563 Ca 0.27 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 3gvp s TYR 563 Cb -0.16 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3gvp s TYR 563 CO 0.10 0.36 0.29 -0.51 -1.57 0.00 0.00 175.55 174.22 3gvp s LEU 564 N -3.81 4.21 0.25 -1.29 1.43 -1.26 -0.30 118.68 117.91 3gvp s LEU 564 Ca 0.37 0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.21 3gvp s LEU 564 Cb -0.01 -2.77 -0.12 0.00 0.03 0.00 0.00 46.19 43.32 3gvp s LEU 564 CO 0.22 -0.01 1.64 -0.11 0.23 0.00 0.00 176.35 178.32 3gvp n LEU 565 N -0.96 4.09 -4.60 1.79 7.94 -1.26 -4.93 117.00 119.07 3gvp n LEU 565 Ca -0.08 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.51 3gvp n LEU 565 Cb 0.56 -1.57 0.01 0.00 0.53 0.00 0.00 43.42 42.95 3gvp n LEU 565 CO 0.46 0.12 0.56 -2.65 -1.11 0.00 0.00 177.39 174.76 3gvp n PRO 566 N 2.98 1.30 -0.30 1.96 -0.02 -1.26 -4.81 135.00 134.84 3gvp n PRO 566 Ca 0.12 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3gvp n PRO 566 Cb 0.35 -2.02 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 3gvp n PRO 566 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gvp h LYS 567 N 1.48 1.07 -0.67 -0.52 3.64 -1.95 -2.04 116.57 117.58 3gvp h LYS 567 Ca -0.44 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3gvp h LYS 567 Cb 1.34 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3gvp h LYS 567 CO 0.56 0.71 0.44 0.87 -2.27 0.00 0.00 179.45 179.76 3gvp h LYS 568 N 1.10 0.80 -0.16 1.90 1.79 -1.96 -0.57 116.57 119.46 3gvp h LYS 568 Ca 0.36 -0.05 -0.20 0.00 -2.18 0.00 0.00 60.65 58.58 3gvp h LYS 568 Cb 0.05 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 3gvp h LYS 568 CO -0.11 0.53 -0.70 0.52 -1.08 0.00 0.00 179.45 178.61 3gvp h MET 569 N 0.82 0.69 -0.63 3.15 2.86 -1.74 -1.50 114.93 118.59 3gvp h MET 569 Ca 0.26 -0.53 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3gvp h MET 569 Cb 0.03 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3gvp h MET 569 CO -0.07 1.15 0.41 0.22 1.06 0.00 0.00 176.91 179.67 3gvp h ASP 570 N 0.49 0.70 -0.51 1.22 1.82 -1.05 -1.12 116.42 117.98 3gvp h ASP 570 Ca -0.03 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 3gvp h ASP 570 Cb 1.31 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 3gvp h ASP 570 CO 0.14 0.50 0.23 -0.33 -1.61 0.00 0.00 179.24 178.17 3gvp h GLU 571 N 0.83 0.80 -0.41 0.28 5.08 -1.06 -2.36 114.58 117.73 3gvp h GLU 571 Ca 0.24 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3gvp h GLU 571 Cb -0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3gvp h GLU 571 CO -0.06 0.65 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.56 3gvp h TYR 572 N 0.79 0.81 -0.19 4.33 3.20 -0.62 0.13 116.97 125.41 3gvp h TYR 572 Ca 0.19 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3gvp h TYR 572 Cb 0.14 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3gvp h TYR 572 CO 0.01 0.81 0.11 0.28 -1.64 0.00 0.00 178.16 177.74 3gvp h VAL 573 N 0.67 1.09 -0.07 1.81 2.07 -0.72 0.91 116.25 122.00 3gvp h VAL 573 Ca 0.11 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gvp h VAL 573 Cb 0.58 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3gvp h VAL 573 CO 0.04 0.09 0.02 0.00 0.02 0.00 0.00 177.57 177.74 3gvp h ALA 574 N 1.01 0.08 -0.92 1.67 0.00 -1.10 -2.82 119.26 117.18 3gvp h ALA 574 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gvp h ALA 574 Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3gvp h ALA 574 CO -0.01 -0.45 0.60 1.03 0.00 0.00 0.00 179.25 180.42 3gvp h SER 575 N 0.06 1.00 0.23 0.00 0.87 -0.47 -0.40 113.55 114.84 3gvp h SER 575 Ca 0.03 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 3gvp h SER 575 Cb 0.02 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3gvp h SER 575 CO -0.03 0.69 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.72 3gvp h LEU 576 N 1.16 0.00 0.00 2.23 3.38 -0.60 -3.08 115.31 118.41 3gvp h LEU 576 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3gvp h LEU 576 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gvp h LEU 576 CO -0.11 0.17 -0.97 1.41 0.09 0.00 0.00 178.44 179.03 3gvp n HIS 577 N -4.11 0.19 -0.34 1.13 8.25 -0.24 -4.41 115.22 115.69 3gvp n HIS 577 Ca -0.02 0.05 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3gvp n HIS 577 Cb 0.25 -0.35 0.30 0.00 1.12 0.00 0.00 29.99 31.30 3gvp n HIS 577 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gvp h LEU 578 N 0.00 0.74 -2.33 2.41 3.38 -1.25 -1.80 115.31 116.46 3gvp h LEU 578 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gvp h LEU 578 Cb 0.67 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gvp h LEU 578 CO 0.00 0.28 0.10 -0.65 0.09 0.00 0.00 178.44 178.26 3gvp h PRO 579 N 0.75 0.00 -0.84 1.13 0.11 -1.78 -0.71 132.00 130.67 3gvp h PRO 579 Ca 0.56 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.88 3gvp h PRO 579 Cb 0.83 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 3gvp h PRO 579 CO -0.38 0.00 0.58 1.15 -0.21 0.00 0.00 178.00 179.14 3gvp h THR 580 N 0.00 0.65 -0.19 -1.15 2.02 -1.63 -1.82 112.91 110.79 3gvp h THR 580 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3gvp h THR 580 Cb 0.25 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3gvp h THR 580 CO -0.00 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3gvp n PHE 581 N -4.41 0.23 -4.21 3.16 3.72 -0.28 -4.95 117.46 110.71 3gvp n PHE 581 Ca 0.17 -0.14 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 3gvp n PHE 581 Cb 0.76 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.27 3gvp n PHE 581 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gvp n ASP 582 N 1.14 -2.59 -4.74 4.37 2.03 -0.69 -4.95 116.55 111.13 3gvp n ASP 582 Ca 0.14 -1.04 -0.41 0.00 0.52 0.00 0.00 54.79 54.00 3gvp n ASP 582 Cb 0.51 -2.67 -0.04 0.00 -0.72 0.00 0.00 41.12 38.19 3gvp n ASP 582 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gvp s ALA 583 N -3.43 3.36 -0.34 -1.67 0.00 -1.15 -5.03 121.76 113.49 3gvp s ALA 583 Ca 0.61 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 3gvp s ALA 583 Cb -0.33 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.53 3gvp s ALA 583 CO 0.93 -0.13 0.08 -1.01 0.00 0.00 0.00 175.76 175.64 3gvp s HIS 584 N -0.53 3.39 0.37 0.00 3.76 -1.26 -4.75 115.29 116.27 3gvp s HIS 584 Ca 0.47 -2.03 -0.26 0.00 -0.15 0.00 0.00 55.06 53.09 3gvp s HIS 584 Cb -0.29 -2.52 -0.09 0.00 1.11 0.00 0.00 32.58 30.79 3gvp s HIS 584 CO 0.35 -0.86 1.14 -1.17 -0.85 0.00 0.00 174.74 173.35 3gvp s LEU 585 N 1.22 4.26 0.03 0.89 2.96 -1.26 -5.03 118.68 121.75 3gvp s LEU 585 Ca 0.00 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.05 3gvp s LEU 585 Cb -0.21 -3.96 -0.06 0.00 0.50 0.00 0.00 46.19 42.46 3gvp s LEU 585 CO -0.02 -0.53 0.43 -0.89 -1.32 0.00 0.00 176.35 174.02 3gvp s THR 586 N -1.41 5.00 -0.15 3.68 2.01 -1.26 -5.09 115.64 118.43 3gvp s THR 586 Ca 0.54 0.80 -0.12 0.00 0.31 0.00 0.00 61.69 63.23 3gvp s THR 586 Cb -0.29 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3gvp s THR 586 CO 0.37 0.50 0.24 -0.70 -0.69 0.00 0.00 174.62 174.34 3gvp s GLU 587 N -1.29 4.08 0.53 4.92 2.12 -1.26 -5.08 118.70 122.71 3gvp s GLU 587 Ca 0.27 0.00 -0.22 0.00 0.36 0.00 0.00 54.97 55.38 3gvp s GLU 587 Cb -0.16 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 3gvp s GLU 587 CO 0.15 0.38 1.33 1.28 -0.54 0.00 0.00 175.26 177.86 3gvp n LEU 588 N 3.14 5.22 -4.89 2.70 4.77 -1.26 -5.03 117.00 121.65 3gvp n LEU 588 Ca -0.14 0.99 -0.29 0.00 -0.03 0.00 0.00 56.01 56.53 3gvp n LEU 588 Cb 0.52 -1.56 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 3gvp n LEU 588 CO 0.37 -0.66 0.77 0.42 -1.33 0.00 0.00 177.39 176.97 3gvp s THR 589 N -1.29 2.50 0.15 -5.08 -4.23 -1.26 -4.87 115.64 101.56 3gvp s THR 589 Ca 0.70 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 61.21 3gvp s THR 589 Cb -0.43 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.27 3gvp s THR 589 CO 0.50 -0.21 1.77 0.44 -0.54 0.00 0.00 174.62 176.58 3gvp h ASP 590 N -0.95 0.22 -0.21 3.99 3.32 -1.99 0.43 116.42 121.23 3gvp h ASP 590 Ca -0.46 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.65 3gvp h ASP 590 Cb 1.30 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 3gvp h ASP 590 CO 0.65 0.17 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.20 3gvp h GLU 591 N 0.33 -0.00 -0.79 3.56 4.81 -1.99 -1.07 114.58 119.42 3gvp h GLU 591 Ca 0.15 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3gvp h GLU 591 Cb 0.07 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3gvp h GLU 591 CO -0.11 -0.00 0.33 1.96 -0.73 0.00 0.00 179.01 180.46 3gvp h GLN 592 N -0.00 1.17 -0.39 1.92 4.20 -1.88 0.90 115.11 121.03 3gvp h GLN 592 Ca 0.10 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.63 3gvp h GLN 592 Cb 0.16 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3gvp h GLN 592 CO -0.22 0.94 0.21 0.00 -0.67 0.00 0.00 178.83 179.09 3gvp h ALA 593 N 1.17 0.49 -0.48 3.87 0.00 -0.49 -1.24 119.26 122.59 3gvp h ALA 593 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3gvp h ALA 593 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gvp h ALA 593 CO -0.02 -0.14 0.24 0.87 0.00 0.00 0.00 179.25 180.20 3gvp h LYS 594 N 0.43 0.69 -0.82 0.00 1.57 -0.96 -0.35 116.57 117.13 3gvp h LYS 594 Ca 0.16 -0.10 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 3gvp h LYS 594 Cb 0.04 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.14 3gvp h LYS 594 CO -0.09 0.57 0.41 -0.92 -0.57 0.00 0.00 179.45 178.84 3gvp h TYR 595 N 0.64 0.72 0.00 -1.35 3.20 -0.33 -2.75 116.97 117.10 3gvp h TYR 595 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3gvp h TYR 595 Cb 0.10 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3gvp h TYR 595 CO -0.01 0.19 -0.81 1.28 -1.64 0.00 0.00 178.16 177.17 3gvp n LEU 596 N -4.87 0.64 -0.93 2.82 4.77 -0.51 -4.97 117.00 113.94 3gvp n LEU 596 Ca 0.16 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3gvp n LEU 596 Cb 0.40 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3gvp n LEU 596 CO 0.22 0.09 0.03 0.61 -1.33 0.00 0.00 177.39 177.00 3gvp n GLY 597 N 1.42 0.72 3.17 -0.72 0.00 -0.23 -5.06 105.19 104.50 3gvp n GLY 597 Ca 0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 3gvp n GLY 597 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvp s LEU 598 N -1.86 2.37 0.30 0.99 1.43 -0.65 -5.05 118.68 116.21 3gvp s LEU 598 Ca 0.06 -0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 3gvp s LEU 598 Cb -0.03 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 3gvp s LEU 598 CO 0.09 -0.21 1.02 0.21 0.23 0.00 0.00 176.35 177.69 3gvp s ASN 599 N -2.24 7.29 0.59 2.29 3.04 -1.26 -4.46 114.94 120.18 3gvp s ASN 599 Ca 0.03 2.07 0.28 0.00 0.04 0.00 0.00 52.86 55.29 3gvp s ASN 599 Cb -0.05 -2.61 1.55 0.00 -1.54 0.00 0.00 41.25 38.60 3gvp s ASN 599 CO 0.01 -0.11 1.99 0.11 -3.04 0.00 0.00 177.10 176.05 3gvp h LYS 600 N 3.56 0.00 -0.33 0.43 1.57 -1.94 -1.41 116.57 118.45 3gvp h LYS 600 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3gvp h LYS 600 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3gvp h LYS 600 CO 0.66 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.63 3gvp n ASN 601 N -3.79 3.32 0.00 0.86 3.02 -1.26 -4.75 115.26 112.66 3gvp n ASN 601 Ca 0.05 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3gvp n ASN 601 Cb 0.51 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 3gvp n ASN 601 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvp n GLY 602 N 1.39 -0.63 3.76 7.41 0.00 -0.53 -4.91 105.19 111.68 3gvp n GLY 602 Ca 0.18 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3gvp n GLY 602 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gvp s PRO 603 N -1.27 4.56 0.30 1.61 0.04 -1.26 -4.61 135.00 134.37 3gvp s PRO 603 Ca 0.00 1.72 0.19 0.00 0.04 0.00 0.00 61.00 62.95 3gvp s PRO 603 Cb 0.00 -3.07 0.13 0.00 0.04 0.00 0.00 34.50 31.60 3gvp s PRO 603 CO 0.00 0.17 1.37 0.74 0.04 0.00 0.00 177.00 179.32 3gvp h PHE 604 N 3.58 0.00 -3.95 0.56 0.04 -1.91 -3.44 116.94 111.83 3gvp h PHE 604 Ca -0.47 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 59.99 3gvp h PHE 604 Cb 1.21 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 39.12 3gvp h PHE 604 CO 0.59 0.27 -0.75 0.15 -0.60 0.00 0.00 178.31 177.97 3gvp s LYS 605 N -3.10 0.52 0.00 1.51 -0.14 -1.26 -5.06 119.74 112.21 3gvp s LYS 605 Ca 0.04 -0.54 0.23 0.00 -1.36 0.00 0.00 55.97 54.34 3gvp s LYS 605 Cb 0.07 -0.39 1.39 0.00 -1.68 0.00 0.00 37.83 37.22 3gvp s LYS 605 CO 0.73 0.09 1.76 -0.35 -0.76 0.00 0.00 175.35 176.82