#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h94 n GLY 173 N 0.00 -0.47 0.26 5.00 0.00 -1.26 -3.61 105.19 105.12 2h94 n GLY 173 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2h94 n GLY 173 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2h94 h VAL 174 N -0.40 1.26 -0.00 1.61 2.07 -1.98 -2.02 116.25 116.79 2h94 h VAL 174 Ca -0.57 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2h94 h VAL 174 Cb 1.77 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2h94 h VAL 174 CO -0.18 0.39 -0.08 -1.84 0.02 0.00 0.00 177.57 175.88 2h94 n GLU 175 N -4.16 0.06 -0.02 1.57 0.28 -1.26 -3.46 120.64 113.65 2h94 n GLU 175 Ca 0.01 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2h94 n GLU 175 Cb 0.37 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 2h94 n GLU 175 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2h94 h GLY 176 N 5.00 -0.04 0.01 -1.84 0.00 -1.43 -3.25 103.07 101.52 2h94 h GLY 176 Ca 0.00 0.02 0.21 0.00 0.00 0.00 0.00 47.33 47.56 2h94 h GLY 176 CO 0.00 -0.02 0.59 0.00 0.00 0.00 0.00 176.54 177.12 2h94 h ALA 177 N 0.15 1.70 -0.74 3.60 0.00 -1.54 0.16 119.26 122.60 2h94 h ALA 177 Ca -0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2h94 h ALA 177 Cb 0.66 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2h94 h ALA 177 CO 0.01 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.53 2h94 h ALA 178 N 1.68 1.01 -0.56 0.00 0.00 -1.64 -0.50 119.26 119.26 2h94 h ALA 178 Ca 0.60 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.42 2h94 h ALA 178 Cb 1.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2h94 h ALA 178 CO -0.42 0.08 -0.08 0.35 0.00 0.00 0.00 179.25 179.18 2h94 h PHE 179 N 0.74 1.15 0.00 0.00 3.57 -0.76 0.22 116.94 121.86 2h94 h PHE 179 Ca 0.34 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2h94 h PHE 179 Cb 0.25 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2h94 h PHE 179 CO -0.07 1.05 0.00 0.94 -2.23 0.00 0.00 178.31 177.99 2h94 n GLN 180 N -4.15 0.09 -0.23 1.11 -0.06 -0.60 -1.76 117.38 111.77 2h94 n GLN 180 Ca 0.02 0.15 0.06 0.00 -2.00 0.00 0.00 57.00 55.23 2h94 n GLN 180 Cb 0.39 -1.50 0.18 0.00 -4.06 0.00 0.00 30.24 25.25 2h94 n GLN 180 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2h94 n SER 181 N -1.43 3.17 -3.73 1.69 7.64 -0.27 -4.44 113.62 116.24 2h94 n SER 181 Ca 0.06 -2.11 -0.26 0.00 1.01 0.00 0.00 58.87 57.57 2h94 n SER 181 Cb 0.20 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.16 2h94 n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2h94 n ARG 182 N 0.53 -6.56 -4.57 1.43 1.74 -0.72 -4.99 116.66 103.51 2h94 n ARG 182 Ca 0.14 0.71 -0.23 0.00 -0.77 0.00 0.00 57.85 57.70 2h94 n ARG 182 Cb 0.50 -5.65 -0.16 0.00 -1.02 0.00 0.00 32.46 26.14 2h94 n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2h94 s LEU 183 N -7.17 1.82 0.12 0.55 1.43 0.71 -5.02 118.68 111.13 2h94 s LEU 183 Ca 0.52 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2h94 s LEU 183 Cb -0.25 -0.73 -0.10 0.00 0.03 0.00 0.00 46.19 45.14 2h94 s LEU 183 CO 0.78 0.10 1.84 -2.84 0.23 0.00 0.00 176.35 176.45 2h94 s PRO 184 N 0.16 4.13 0.14 1.29 0.02 -1.26 -3.83 135.00 135.66 2h94 s PRO 184 Ca -0.04 2.60 -0.09 0.00 0.02 0.00 0.00 61.00 63.50 2h94 s PRO 184 Cb -0.10 -3.60 -0.03 0.00 0.02 0.00 0.00 34.50 30.79 2h94 s PRO 184 CO 0.01 -0.85 1.42 1.12 -0.33 0.00 0.00 177.00 178.38 2h94 h HIS 185 N 8.62 0.95 -0.02 6.54 2.07 -1.89 -3.26 115.15 128.16 2h94 h HIS 185 Ca -0.46 -0.36 0.00 0.00 -2.85 0.00 0.00 60.37 56.70 2h94 h HIS 185 Cb 1.22 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 31.03 2h94 h HIS 185 CO 0.79 1.16 -0.22 -0.40 -3.07 0.00 0.00 177.93 176.19 2h94 n ASP 186 N -3.97 2.02 -4.84 3.10 5.68 -1.26 -4.89 116.55 112.39 2h94 n ASP 186 Ca -0.04 -1.53 -0.26 0.00 -0.50 0.00 0.00 54.79 52.46 2h94 n ASP 186 Cb 0.65 0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 40.79 2h94 n ASP 186 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2h94 s ARG 187 N -2.27 2.27 -0.11 0.11 3.52 -1.23 -5.09 118.95 116.16 2h94 s ARG 187 Ca 0.26 -1.97 0.03 0.00 -0.13 0.00 0.00 55.73 53.92 2h94 s ARG 187 Cb 0.19 -2.03 0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2h94 s ARG 187 CO 0.44 -0.42 -0.21 -1.64 -0.81 0.00 0.00 175.30 172.66 2h94 s MET 188 N -4.13 2.82 0.87 5.12 -1.94 -1.26 -4.77 119.30 116.02 2h94 s MET 188 Ca 0.34 -0.79 -0.13 0.00 -1.71 0.00 0.00 55.69 53.40 2h94 s MET 188 Cb -0.00 -2.21 0.05 0.00 2.01 0.00 0.00 34.83 34.68 2h94 s MET 188 CO 0.20 0.09 0.74 2.41 -0.01 0.00 0.00 175.02 178.45 2h94 n THR 189 N 3.77 0.75 -0.28 2.05 -1.04 -1.26 -4.73 114.28 113.54 2h94 n THR 189 Ca -0.20 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.05 61.57 2h94 n THR 189 Cb 0.52 -0.84 0.07 0.00 -1.82 0.00 0.00 70.33 68.26 2h94 n THR 189 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2h94 h SER 190 N -1.28 0.89 0.68 8.00 0.02 -1.99 -0.67 113.55 119.19 2h94 h SER 190 Ca -0.44 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 2h94 h SER 190 Cb 1.29 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.62 2h94 h SER 190 CO 0.39 0.65 -0.33 1.56 -1.14 0.00 0.00 176.83 177.97 2h94 h GLN 191 N 1.04 -0.88 -0.87 3.45 4.20 -2.00 -2.66 115.11 117.39 2h94 h GLN 191 Ca 0.28 0.06 0.15 0.00 0.06 0.00 0.00 58.65 59.20 2h94 h GLN 191 Cb -0.11 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 2h94 h GLN 191 CO -0.06 -0.57 0.57 0.93 -0.67 0.00 0.00 178.83 179.03 2h94 h GLU 192 N -0.97 0.63 0.17 1.46 5.08 -1.86 -0.05 114.58 119.04 2h94 h GLU 192 Ca -0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2h94 h GLU 192 Cb 0.72 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2h94 h GLU 192 CO 0.15 0.42 -0.26 0.00 -1.00 0.00 0.00 179.01 178.32 2h94 h ALA 193 N 1.60 -0.47 0.29 3.43 0.00 -0.96 -2.12 119.26 121.03 2h94 h ALA 193 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2h94 h ALA 193 Cb 0.75 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2h94 h ALA 193 CO -0.19 -0.81 -0.49 0.00 0.00 0.00 0.00 179.25 177.76 2h94 h ALA 194 N 0.21 -0.98 0.00 0.00 0.00 -0.68 -2.07 119.26 115.74 2h94 h ALA 194 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2h94 h ALA 194 Cb 0.50 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2h94 h ALA 194 CO -0.11 -1.11 -0.00 0.00 0.00 0.00 0.00 179.25 178.02 2h94 n PHE 196 N -3.36 3.42 -1.39 0.00 3.01 -0.80 -3.79 117.46 114.55 2h94 n PHE 196 Ca -0.03 -3.18 -0.50 0.00 1.01 0.00 0.00 57.45 54.75 2h94 n PHE 196 Cb 0.08 -0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.31 2h94 n PHE 196 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2h94 n PRO 197 N -0.45 0.04 -0.03 -1.08 -0.04 -0.82 -2.47 135.00 130.14 2h94 n PRO 197 Ca 0.38 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2h94 n PRO 197 Cb 0.64 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2h94 n PRO 197 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2h94 n ASP 198 N 9.20 0.00 0.13 3.54 -0.08 -1.26 -4.43 116.55 123.64 2h94 n ASP 198 Ca 0.60 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.98 2h94 n ASP 198 Cb 0.01 -0.23 0.50 0.00 2.34 0.00 0.00 41.12 43.74 2h94 n ASP 198 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2h94 n ILE 199 N 0.37 1.08 0.00 5.18 5.41 -1.03 -0.99 119.36 129.37 2h94 n ILE 199 Ca 0.00 0.56 0.00 0.00 1.00 0.00 0.00 62.75 64.31 2h94 n ILE 199 Cb 0.00 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 2h94 n ILE 199 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2h94 n ILE 200 N -2.15 0.00 0.39 1.39 -6.64 -1.24 -4.71 119.36 106.40 2h94 n ILE 200 Ca -0.00 0.00 -0.02 0.00 -1.77 0.00 0.00 62.75 60.96 2h94 n ILE 200 Cb 0.09 0.04 0.09 0.00 -1.44 0.00 0.00 39.64 38.42 2h94 n ILE 200 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2h94 n SER 201 N -0.15 2.76 0.00 7.28 7.64 -0.98 -4.24 113.62 125.92 2h94 n SER 201 Ca 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 2h94 n SER 201 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2h94 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h94 n GLY 202 N 0.11 0.06 2.99 0.23 0.00 -0.17 -4.61 105.19 103.81 2h94 n GLY 202 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2h94 n GLY 202 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2h94 n PRO 203 N -1.37 -3.72 -0.04 1.61 -0.04 -1.26 -5.01 135.00 125.17 2h94 n PRO 203 Ca 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 63.50 62.25 2h94 n PRO 203 Cb 0.00 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 2h94 n PRO 203 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h94 n GLN 204 N -4.31 0.28 -1.10 0.54 0.00 -1.26 -4.65 117.38 106.87 2h94 n GLN 204 Ca 0.11 0.34 -0.12 0.00 0.00 0.00 0.00 57.00 57.34 2h94 n GLN 204 Cb 0.49 -1.25 0.27 0.00 0.00 0.00 0.00 30.24 29.75 2h94 n GLN 204 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2h94 n GLN 205 N -3.66 3.28 -0.03 2.61 3.00 -1.26 -4.19 117.38 117.13 2h94 n GLN 205 Ca -0.05 -3.08 -0.04 0.00 -0.01 0.00 0.00 57.00 53.82 2h94 n GLN 205 Cb 0.19 -2.21 -0.13 0.00 0.00 0.00 0.00 30.24 28.09 2h94 n GLN 205 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2h94 n THR 206 N -0.47 1.18 0.10 5.09 -1.04 -1.26 -3.93 114.28 113.96 2h94 n THR 206 Ca 0.47 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.05 61.71 2h94 n THR 206 Cb 1.49 -0.59 -0.03 0.00 -1.82 0.00 0.00 70.33 69.39 2h94 n THR 206 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2h94 h GLN 207 N 0.00 0.00 -0.32 -2.82 3.07 -1.75 -2.79 115.11 110.50 2h94 h GLN 207 Ca -0.31 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.50 2h94 h GLN 207 Cb 1.84 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 29.32 2h94 h GLN 207 CO 0.04 0.75 -0.25 -0.22 0.09 0.00 0.00 178.83 179.23 2h94 h LYS 208 N 0.00 -0.21 -0.39 0.06 3.11 -1.78 0.57 116.57 117.93 2h94 h LYS 208 Ca -0.01 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 2h94 h LYS 208 Cb 1.54 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.77 2h94 h LYS 208 CO 0.10 -0.14 0.13 0.28 -2.81 0.00 0.00 179.45 177.01 2h94 h VAL 209 N -0.22 0.88 0.00 2.00 2.07 -1.67 -2.51 116.25 116.79 2h94 h VAL 209 Ca 0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2h94 h VAL 209 Cb 0.47 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2h94 h VAL 209 CO -0.45 0.05 0.00 0.33 0.02 0.00 0.00 177.57 177.53 2h94 n PHE 210 N -5.02 0.00 -0.32 1.57 7.35 -0.03 -1.19 117.46 119.82 2h94 n PHE 210 Ca 0.02 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.81 2h94 n PHE 210 Cb 0.14 -0.49 0.22 0.00 0.35 0.00 0.00 39.48 39.70 2h94 n PHE 210 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2h94 h LEU 211 N 0.00 -0.52 -0.26 -2.13 3.38 -0.92 0.36 115.31 115.22 2h94 h LEU 211 Ca 0.00 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2h94 h LEU 211 Cb 0.00 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2h94 h LEU 211 CO 0.00 -0.30 -0.05 0.15 0.09 0.00 0.00 178.44 178.34 2h94 h PHE 212 N 0.04 -0.10 -0.27 1.13 3.57 -0.93 -0.44 116.94 119.94 2h94 h PHE 212 Ca 0.52 0.02 0.01 0.00 3.53 0.00 0.00 57.97 62.06 2h94 h PHE 212 Cb 0.99 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2h94 h PHE 212 CO -0.52 -0.09 0.18 0.82 -2.23 0.00 0.00 178.31 176.46 2h94 h ILE 213 N 0.02 1.04 0.20 1.41 2.04 0.11 0.19 117.51 122.52 2h94 h ILE 213 Ca 0.12 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2h94 h ILE 213 Cb 0.18 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2h94 h ILE 213 CO -0.25 0.06 -0.09 -0.09 0.00 0.00 0.00 178.15 177.77 2h94 h ARG 214 N 0.32 -0.25 -1.00 2.37 2.43 0.31 -2.88 114.38 115.67 2h94 h ARG 214 Ca 0.10 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.51 2h94 h ARG 214 Cb 0.03 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.52 2h94 h ARG 214 CO -0.02 -0.17 0.61 -0.91 -1.51 0.00 0.00 179.97 177.97 2h94 h ASN 215 N -0.34 0.73 -0.73 -3.80 2.35 -0.98 0.13 115.58 112.94 2h94 h ASN 215 Ca -0.03 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2h94 h ASN 215 Cb 0.20 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2h94 h ASN 215 CO 0.04 0.20 0.47 -0.09 -1.65 0.00 0.00 177.43 176.41 2h94 h ARG 216 N 0.68 0.90 0.14 0.81 9.65 -0.70 0.12 114.38 125.99 2h94 h ARG 216 Ca 0.61 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.42 2h94 h ARG 216 Cb 1.04 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2h94 h ARG 216 CO -0.41 0.59 -0.07 1.15 2.80 0.00 0.00 179.97 184.03 2h94 h THR 217 N 0.92 1.02 -1.19 0.20 2.02 -0.82 -1.49 112.91 113.56 2h94 h THR 217 Ca 0.29 -1.00 0.37 0.00 0.77 0.00 0.00 66.41 66.83 2h94 h THR 217 Cb -0.02 1.60 -0.12 0.00 -1.74 0.00 0.00 68.15 67.87 2h94 h THR 217 CO -0.09 0.22 0.76 -0.07 0.37 0.00 0.00 175.52 176.71 2h94 h LEU 218 N -0.69 0.33 0.09 2.58 4.07 -0.87 0.28 115.31 121.10 2h94 h LEU 218 Ca -0.02 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2h94 h LEU 218 Cb 0.51 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2h94 h LEU 218 CO 0.03 -0.09 -0.04 -0.61 -1.08 0.00 0.00 178.44 176.64 2h94 h GLN 219 N 0.20 -0.11 -0.26 1.13 4.15 -0.49 -1.99 115.11 117.73 2h94 h GLN 219 Ca 0.74 0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.23 2h94 h GLN 219 Cb 2.13 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 29.78 2h94 h GLN 219 CO -0.40 0.41 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.62 2h94 h LEU 220 N -0.76 -0.71 0.14 -2.39 3.38 0.49 0.12 115.31 115.57 2h94 h LEU 220 Ca -0.01 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2h94 h LEU 220 Cb 0.58 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2h94 h LEU 220 CO 0.02 -0.26 -0.33 -0.25 0.09 0.00 0.00 178.44 177.71 2h94 h TRP 221 N -0.21 -0.90 -0.26 1.13 2.91 -0.91 -2.58 115.95 115.13 2h94 h TRP 221 Ca 0.14 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.21 2h94 h TRP 221 Cb 0.44 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.45 2h94 h TRP 221 CO -0.39 -0.44 0.18 -0.07 -1.03 0.00 0.00 178.44 176.69 2h94 h LEU 222 N -0.57 0.20 0.00 0.65 3.38 -0.87 -1.50 115.31 116.61 2h94 h LEU 222 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h94 h LEU 222 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2h94 h LEU 222 CO -0.18 0.14 0.00 0.47 0.09 0.00 0.00 178.44 178.96 2h94 n ASP 223 N -4.49 0.00 -2.71 -0.43 8.00 0.37 -4.18 116.55 113.10 2h94 n ASP 223 Ca 0.02 0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.50 2h94 n ASP 223 Cb 0.16 -0.30 0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2h94 n ASP 223 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2h94 n ASN 224 N -1.30 -2.35 -0.29 -2.24 4.05 -0.63 -5.02 115.26 107.47 2h94 n ASN 224 Ca 0.09 -2.28 0.00 0.00 0.45 0.00 0.00 54.58 52.84 2h94 n ASN 224 Cb 0.17 1.30 0.00 0.00 1.23 0.00 0.00 39.78 42.48 2h94 n ASN 224 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2h94 n PRO 225 N 2.21 0.94 -0.19 1.20 -0.04 -0.80 -3.41 135.00 134.91 2h94 n PRO 225 Ca 0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2h94 n PRO 225 Cb 0.63 -1.28 0.25 0.00 -0.04 0.00 0.00 33.50 33.06 2h94 n PRO 225 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2h94 n LYS 226 N -0.19 2.39 -3.93 0.54 5.02 -1.26 -4.53 118.16 116.21 2h94 n LYS 226 Ca 0.00 -2.11 -0.10 0.00 -2.02 0.00 0.00 58.31 54.08 2h94 n LYS 226 Cb 0.14 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 2h94 n LYS 226 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2h94 s ILE 227 N -1.50 0.08 -0.25 -0.18 1.01 -1.22 -0.85 121.20 118.29 2h94 s ILE 227 Ca 0.38 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2h94 s ILE 227 Cb 0.22 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.39 2h94 s ILE 227 CO 0.31 -0.37 1.60 -1.58 0.00 0.00 0.00 174.94 174.89 2h94 s GLN 228 N -1.16 3.75 -0.67 2.79 0.74 -0.68 -4.82 119.66 119.61 2h94 s GLN 228 Ca -0.13 1.56 -0.27 0.00 0.05 0.00 0.00 55.36 56.58 2h94 s GLN 228 Cb -0.08 -4.04 0.03 0.00 1.10 0.00 0.00 33.01 30.03 2h94 s GLN 228 CO -0.00 -1.35 1.22 -1.17 -0.55 0.00 0.00 175.29 173.44 2h94 s LEU 229 N 5.31 3.35 0.65 3.68 2.96 -1.26 -4.74 118.68 128.62 2h94 s LEU 229 Ca 0.70 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 54.20 2h94 s LEU 229 Cb -0.23 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 2h94 s LEU 229 CO 0.29 -1.68 1.08 -0.89 -1.32 0.00 0.00 176.35 173.84 2h94 s THR 230 N 5.33 3.57 0.19 3.68 2.01 -1.26 -4.86 115.64 124.29 2h94 s THR 230 Ca 0.37 0.68 -0.12 0.00 0.31 0.00 0.00 61.69 62.93 2h94 s THR 230 Cb -0.08 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.30 2h94 s THR 230 CO 0.19 -0.50 1.82 0.15 -0.69 0.00 0.00 174.62 175.58 2h94 h PHE 231 N -0.04 0.84 -0.13 4.92 3.57 -1.98 0.18 116.94 124.31 2h94 h PHE 231 Ca -0.46 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 2h94 h PHE 231 Cb 1.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2h94 h PHE 231 CO 0.57 0.58 0.06 1.49 -2.23 0.00 0.00 178.31 178.78 2h94 h GLU 232 N 0.86 0.18 -0.92 1.11 4.81 -1.98 0.15 114.58 118.78 2h94 h GLU 232 Ca 0.23 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2h94 h GLU 232 Cb -0.01 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 2h94 h GLU 232 CO -0.04 0.25 0.60 0.00 -0.73 0.00 0.00 179.01 179.08 2h94 h ALA 233 N 0.93 1.24 -0.45 2.92 0.00 -1.82 0.10 119.26 122.18 2h94 h ALA 233 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2h94 h ALA 233 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2h94 h ALA 233 CO -0.01 0.44 -0.09 1.15 0.00 0.00 0.00 179.25 180.74 2h94 h THR 234 N 1.14 1.25 0.59 0.00 2.02 -0.28 -3.24 112.91 114.39 2h94 h THR 234 Ca 0.38 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2h94 h THR 234 Cb 0.05 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2h94 h THR 234 CO -0.13 0.39 -0.28 0.25 0.37 0.00 0.00 175.52 176.11 2h94 h LEU 235 N 0.72 -0.67 -3.41 2.58 5.85 0.27 -3.25 115.31 117.40 2h94 h LEU 235 Ca 0.13 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2h94 h LEU 235 Cb 0.56 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2h94 h LEU 235 CO 0.03 -0.30 -0.03 0.00 -0.34 0.00 0.00 178.44 177.81 2h94 n GLN 236 N -5.14 0.87 0.00 1.25 10.64 -0.07 -2.15 117.38 122.77 2h94 n GLN 236 Ca -0.10 -0.12 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 2h94 n GLN 236 Cb 0.31 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 2h94 n GLN 236 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2h94 n GLN 237 N 1.79 0.00 -2.89 2.61 7.27 -1.22 -4.99 117.38 119.94 2h94 n GLN 237 Ca 0.05 -0.14 -0.24 0.00 0.07 0.00 0.00 57.00 56.74 2h94 n GLN 237 Cb 0.42 -0.23 0.01 0.00 2.41 0.00 0.00 30.24 32.86 2h94 n GLN 237 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2h94 s LEU 238 N 0.00 3.60 0.60 1.69 1.43 -0.92 -5.07 118.68 120.01 2h94 s LEU 238 Ca 0.00 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2h94 s LEU 238 Cb 0.00 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 2h94 s LEU 238 CO 0.00 -0.74 0.96 -1.61 0.23 0.00 0.00 176.35 175.19 2h94 s GLU 239 N -4.62 3.25 0.00 1.70 8.01 -1.26 -4.75 118.70 121.03 2h94 s GLU 239 Ca 0.49 0.37 0.00 0.00 0.01 0.00 0.00 54.97 55.84 2h94 s GLU 239 Cb -0.10 -2.18 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 2h94 s GLU 239 CO 0.39 -0.62 0.00 0.00 0.01 0.00 0.00 175.26 175.04 2h94 n ALA 240 N -2.65 0.00 -1.00 5.21 0.00 -1.26 -3.17 120.51 117.64 2h94 n ALA 240 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2h94 n ALA 240 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2h94 n ALA 240 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2h94 n PRO 241 N -2.52 0.00 0.00 0.00 -0.02 -1.26 -4.42 135.00 126.77 2h94 n PRO 241 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2h94 n PRO 241 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 2h94 n PRO 241 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2h94 n TYR 242 N 0.00 0.00 0.31 6.00 4.02 -1.19 0.99 117.16 127.29 2h94 n TYR 242 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2h94 n TYR 242 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.40 2h94 n TYR 242 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2h94 n ASN 243 N -0.10 0.00 -0.05 7.72 6.94 -1.22 -1.81 115.26 126.75 2h94 n ASN 243 Ca 0.00 -0.22 -0.12 0.00 -0.02 0.00 0.00 54.58 54.22 2h94 n ASN 243 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 2h94 n ASN 243 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2h94 h SER 244 N 0.00 -0.02 -1.43 0.53 4.64 0.42 -3.37 113.55 114.32 2h94 h SER 244 Ca 0.00 -0.74 -0.61 0.00 -0.47 0.00 0.00 61.79 59.97 2h94 h SER 244 Cb 0.00 0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 61.99 2h94 h SER 244 CO 0.00 0.80 1.35 -0.62 -0.87 0.00 0.00 176.83 177.49 2h94 s ASP 245 N -5.99 6.48 0.48 4.97 -1.08 -0.75 -4.82 116.67 115.97 2h94 s ASP 245 Ca -0.16 -1.44 0.25 0.00 -0.52 0.00 0.00 52.55 50.69 2h94 s ASP 245 Cb -0.02 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.13 2h94 s ASP 245 CO 0.59 -1.48 1.98 0.00 0.52 0.00 0.00 175.17 176.78 2h94 h THR 246 N 6.58 0.64 -0.11 1.71 1.03 -1.80 -3.30 112.91 117.66 2h94 h THR 246 Ca 0.14 -0.77 -0.07 0.00 -0.01 0.00 0.00 66.41 65.70 2h94 h THR 246 Cb 1.02 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 2h94 h THR 246 CO 1.37 0.17 -0.21 0.58 -0.01 0.00 0.00 175.52 177.42 2h94 h VAL 247 N 0.00 1.38 -0.33 0.00 2.07 -1.95 -3.11 116.25 114.31 2h94 h VAL 247 Ca -0.00 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 2h94 h VAL 247 Cb 0.48 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2h94 h VAL 247 CO 0.02 0.43 -0.05 0.25 0.02 0.00 0.00 177.57 178.24 2h94 h LEU 248 N -0.10 0.51 0.12 2.57 5.85 -1.96 -1.83 115.31 120.46 2h94 h LEU 248 Ca 0.01 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2h94 h LEU 248 Cb 0.79 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2h94 h LEU 248 CO 0.05 0.61 -0.39 0.58 -0.34 0.00 0.00 178.44 178.95 2h94 h VAL 249 N 0.51 0.20 -0.58 1.05 2.07 -1.65 0.20 116.25 118.04 2h94 h VAL 249 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 2h94 h VAL 249 Cb 0.40 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 2h94 h VAL 249 CO 0.02 0.00 0.16 -0.74 0.02 0.00 0.00 177.57 177.03 2h94 h HIS 250 N -0.62 0.27 -0.19 1.57 -0.00 -1.42 0.14 115.15 114.91 2h94 h HIS 250 Ca 0.03 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2h94 h HIS 250 Cb 0.65 -0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 27.96 2h94 h HIS 250 CO -0.35 0.02 -0.31 0.00 -0.00 0.00 0.00 177.93 177.30 2h94 h ARG 251 N 0.31 -0.34 0.25 5.26 3.08 -0.39 -0.66 114.38 121.90 2h94 h ARG 251 Ca 0.30 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2h94 h ARG 251 Cb 0.41 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2h94 h ARG 251 CO -0.35 -0.22 -0.14 0.28 -1.07 0.00 0.00 179.97 178.46 2h94 h VAL 252 N -0.35 0.70 -0.14 2.04 2.07 0.53 -2.35 116.25 118.75 2h94 h VAL 252 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2h94 h VAL 252 Cb 0.53 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2h94 h VAL 252 CO -0.38 0.00 -0.40 -0.74 0.02 0.00 0.00 177.57 176.07 2h94 h HIS 253 N -0.37 -1.14 -0.55 1.57 -0.00 -0.49 0.13 115.15 114.30 2h94 h HIS 253 Ca -0.03 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.47 2h94 h HIS 253 Cb 0.30 0.52 -0.06 0.00 -0.00 0.00 0.00 27.41 28.17 2h94 h HIS 253 CO -0.08 -0.46 0.19 0.77 -0.00 0.00 0.00 177.93 178.35 2h94 h SER 254 N -0.47 0.18 0.15 3.26 0.02 -1.14 0.35 113.55 115.90 2h94 h SER 254 Ca 0.08 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2h94 h SER 254 Cb 0.61 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 2h94 h SER 254 CO -0.40 0.12 -0.42 0.22 -1.14 0.00 0.00 176.83 175.22 2h94 h TYR 255 N 0.36 -1.16 0.47 3.45 3.20 -0.74 0.10 116.97 122.66 2h94 h TYR 255 Ca 0.27 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2h94 h TYR 255 Cb 0.31 0.49 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2h94 h TYR 255 CO -0.17 -0.52 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.35 2h94 h LEU 256 N -0.67 -1.09 -1.67 2.82 3.38 0.00 -2.27 115.31 115.82 2h94 h LEU 256 Ca 0.02 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.31 2h94 h LEU 256 Cb 0.68 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2h94 h LEU 256 CO -0.22 -0.58 0.63 -0.08 0.09 0.00 0.00 178.44 178.28 2h94 h GLU 257 N -0.88 0.25 0.02 1.13 4.81 -0.15 -1.21 114.58 118.55 2h94 h GLU 257 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2h94 h GLU 257 Cb 0.76 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2h94 h GLU 257 CO -0.03 0.16 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.32 2h94 h ARG 258 N 0.25 -0.02 0.00 1.92 9.65 -0.24 -3.11 114.38 122.83 2h94 h ARG 258 Ca 0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.36 2h94 h ARG 258 Cb 1.45 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2h94 h ARG 258 CO -0.13 0.28 0.00 0.72 2.80 0.00 0.00 179.97 183.64 2h94 n HIS 259 N -4.95 0.00 -2.68 2.20 8.25 -0.50 -4.50 115.22 113.03 2h94 n HIS 259 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 2h94 n HIS 259 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 2h94 n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h94 n GLY 260 N 0.56 -0.20 0.10 -1.41 0.00 -0.93 -4.82 105.19 98.50 2h94 n GLY 260 Ca 0.05 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2h94 n GLY 260 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h94 n LEU 261 N -2.78 0.77 -4.13 0.99 4.77 -1.08 -4.76 117.00 110.79 2h94 n LEU 261 Ca -0.10 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2h94 n LEU 261 Cb 0.60 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2h94 n LEU 261 CO 0.31 -0.16 -0.39 0.27 -1.33 0.00 0.00 177.39 176.09 2h94 s ILE 262 N -3.37 0.59 -1.12 -0.08 -4.36 -1.26 -4.90 121.20 106.70 2h94 s ILE 262 Ca -0.01 -1.65 -0.15 0.00 -0.26 0.00 0.00 60.65 58.58 2h94 s ILE 262 Cb 0.10 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 2h94 s ILE 262 CO 0.80 -0.74 0.83 0.59 0.24 0.00 0.00 174.94 176.67 2h94 n ASN 263 N 0.44 -5.53 -4.15 4.36 4.13 -1.26 -4.56 115.26 108.69 2h94 n ASN 263 Ca -0.16 -0.90 -0.12 0.00 1.68 0.00 0.00 54.58 55.08 2h94 n ASN 263 Cb 0.59 -4.04 -0.11 0.00 -1.54 0.00 0.00 39.78 34.68 2h94 n ASN 263 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2h94 s PHE 264 N -3.45 0.90 0.00 3.10 -0.12 -1.26 -4.94 117.98 112.20 2h94 s PHE 264 Ca 0.44 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2h94 s PHE 264 Cb -0.12 -0.51 0.00 0.00 -0.63 0.00 0.00 43.02 41.76 2h94 s PHE 264 CO 0.82 -0.08 0.00 0.41 -0.05 0.00 0.00 175.22 176.31 2h94 n GLY 265 N 0.50 0.39 3.15 1.99 0.00 -1.26 -4.76 105.19 105.20 2h94 n GLY 265 Ca -0.16 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2h94 n GLY 265 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2h94 s ILE 266 N 0.00 2.46 0.08 -0.61 2.07 -1.26 -4.98 121.20 118.96 2h94 s ILE 266 Ca 0.00 -1.12 0.01 0.00 -1.41 0.00 0.00 60.65 58.12 2h94 s ILE 266 Cb 0.00 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.32 2h94 s ILE 266 CO 0.00 0.26 -0.05 -0.72 -1.91 0.00 0.00 174.94 172.52 2h94 s TYR 267 N 1.27 0.73 -0.43 3.50 -0.85 -1.26 -4.79 117.35 115.52 2h94 s TYR 267 Ca -0.00 -0.92 -0.28 0.00 -0.52 0.00 0.00 57.07 55.35 2h94 s TYR 267 Cb -0.16 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.72 2h94 s TYR 267 CO -0.07 -0.22 1.64 0.21 -1.52 0.00 0.00 175.55 175.58 2h94 s LYS 268 N -3.59 3.30 0.04 -3.49 2.20 -0.03 -4.82 119.74 113.36 2h94 s LYS 268 Ca 0.07 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 2h94 s LYS 268 Cb 0.04 -4.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.14 2h94 s LYS 268 CO -0.06 -1.91 1.28 0.50 -0.36 0.00 0.00 175.35 174.81 2h94 s ARG 269 N 5.62 4.36 0.14 4.03 3.52 -1.26 -1.68 118.95 133.69 2h94 s ARG 269 Ca 0.68 1.86 0.04 0.00 -0.13 0.00 0.00 55.73 58.19 2h94 s ARG 269 Cb -0.17 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2h94 s ARG 269 CO 0.30 -0.39 0.13 0.42 -0.81 0.00 0.00 175.30 174.95 2h94 s ILE 270 N 1.55 4.55 -0.29 4.11 1.01 -1.26 -4.79 121.20 126.09 2h94 s ILE 270 Ca 0.61 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2h94 s ILE 270 Cb -0.31 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2h94 s ILE 270 CO 0.28 -0.06 0.05 0.29 0.00 0.00 0.00 174.94 175.50 2h94 n LYS 271 N -0.19 -3.73 -1.56 2.79 5.02 -1.26 -4.93 118.16 114.30 2h94 n LYS 271 Ca -0.08 2.93 -0.37 0.00 -2.02 0.00 0.00 58.31 58.77 2h94 n LYS 271 Cb 0.54 -5.34 0.07 0.00 -0.02 0.00 0.00 35.03 30.28 2h94 n LYS 271 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2h94 n PRO 272 N 0.89 0.82 -1.61 1.97 -0.02 -1.26 -4.99 135.00 130.80 2h94 n PRO 272 Ca -0.08 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 2h94 n PRO 272 Cb 0.12 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.38 2h94 n PRO 272 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2h94 n LEU 273 N -1.42 4.59 -4.62 2.45 4.77 -1.26 -4.91 117.00 116.60 2h94 n LEU 273 Ca 0.14 0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 56.48 2h94 n LEU 273 Cb 0.48 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 2h94 n LEU 273 CO 0.48 -1.58 1.19 -2.16 -1.33 0.00 0.00 177.39 174.00 2h94 s PRO 274 N -3.11 3.81 0.50 3.23 0.04 -1.26 -4.89 135.00 133.32 2h94 s PRO 274 Ca 0.79 1.22 0.28 0.00 0.04 0.00 0.00 61.00 63.33 2h94 s PRO 274 Cb -0.39 -3.94 1.37 0.00 0.04 0.00 0.00 34.50 31.58 2h94 s PRO 274 CO 0.45 -1.26 1.85 1.15 0.04 0.00 0.00 177.00 179.23 2h94 h THR 275 N 6.12 0.55 -2.79 1.26 2.02 -2.02 -3.27 112.91 114.78 2h94 h THR 275 Ca -0.28 -0.04 -0.70 0.00 0.77 0.00 0.00 66.41 66.17 2h94 h THR 275 Cb 1.11 0.41 -0.19 0.00 -1.74 0.00 0.00 68.15 67.74 2h94 h THR 275 CO 1.04 0.02 0.46 -0.75 0.37 0.00 0.00 175.52 176.67 2h94 s LYS 276 N -5.12 3.34 0.73 6.66 2.47 -1.26 -5.03 119.74 121.52 2h94 s LYS 276 Ca -0.06 -1.55 -0.11 0.00 -1.56 0.00 0.00 55.97 52.69 2h94 s LYS 276 Cb 0.22 -4.52 0.03 0.00 -1.46 0.00 0.00 37.83 32.10 2h94 s LYS 276 CO 0.78 -1.65 1.07 0.15 0.16 0.00 0.00 175.35 175.87 2h94 s LYS 277 N 2.61 2.61 -0.11 4.03 -0.14 -1.24 -4.97 119.74 122.53 2h94 s LYS 277 Ca 0.22 0.89 0.01 0.00 -1.36 0.00 0.00 55.97 55.74 2h94 s LYS 277 Cb -0.14 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 2h94 s LYS 277 CO -0.01 -1.32 -0.14 0.99 -0.76 0.00 0.00 175.35 174.11 2h94 s THR 278 N -3.05 1.43 0.21 2.17 2.01 -1.10 -4.90 115.64 112.40 2h94 s THR 278 Ca 0.59 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2h94 s THR 278 Cb -0.15 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.04 2h94 s THR 278 CO 0.55 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 2h94 n GLY 279 N 4.37 -3.21 3.28 4.40 0.00 -1.26 -3.99 105.19 108.79 2h94 n GLY 279 Ca -0.18 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2h94 n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h94 s LYS 280 N -4.38 3.23 -0.08 1.61 2.47 -1.26 -1.24 119.74 120.09 2h94 s LYS 280 Ca 0.00 -0.75 0.05 0.00 -1.56 0.00 0.00 55.97 53.71 2h94 s LYS 280 Cb 0.00 -2.57 -0.00 0.00 -1.46 0.00 0.00 37.83 33.79 2h94 s LYS 280 CO 0.00 0.09 -0.24 0.08 0.16 0.00 0.00 175.35 175.45 2h94 s VAL 281 N 0.62 1.99 -0.22 4.02 1.01 0.72 -1.11 120.40 127.42 2h94 s VAL 281 Ca -0.09 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 2h94 s VAL 281 Cb -0.16 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2h94 s VAL 281 CO 0.03 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.04 2h94 s ILE 282 N 0.09 3.67 -0.24 2.22 -1.09 -0.20 -2.23 121.20 123.43 2h94 s ILE 282 Ca -0.11 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 2h94 s ILE 282 Cb -0.16 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 2h94 s ILE 282 CO 0.06 0.40 0.03 -0.63 -1.23 0.00 0.00 174.94 173.58 2h94 s ILE 283 N 1.44 4.04 -0.36 2.92 1.01 -0.56 -0.18 121.20 129.51 2h94 s ILE 283 Ca 0.05 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 2h94 s ILE 283 Cb -0.14 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2h94 s ILE 283 CO -0.01 0.37 0.95 -0.63 0.00 0.00 0.00 174.94 175.62 2h94 s ILE 284 N 1.51 4.57 0.00 2.92 1.01 0.76 -1.52 121.20 130.45 2h94 s ILE 284 Ca 0.06 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2h94 s ILE 284 Cb -0.15 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.98 2h94 s ILE 284 CO 0.02 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2h94 n GLY 285 N 4.32 -0.43 2.62 6.18 0.00 -0.25 -2.16 105.19 115.46 2h94 n GLY 285 Ca 0.08 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 2h94 n GLY 285 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h94 n SER 286 N -0.74 4.18 -2.01 1.61 3.41 -1.26 -4.58 113.62 114.22 2h94 n SER 286 Ca 0.00 -3.59 -0.00 0.00 -0.26 0.00 0.00 58.87 55.02 2h94 n SER 286 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2h94 n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h94 n GLY 287 N -0.34 -0.74 0.34 5.00 0.00 -1.26 -1.60 105.19 106.58 2h94 n GLY 287 Ca 0.33 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 2h94 n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2h94 h VAL 288 N -0.88 1.10 -0.68 1.61 2.07 -1.94 0.21 116.25 117.74 2h94 h VAL 288 Ca -0.00 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2h94 h VAL 288 Cb 0.01 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.68 2h94 h VAL 288 CO 0.00 0.20 0.12 0.77 0.02 0.00 0.00 177.57 178.67 2h94 h SER 289 N 1.08 1.08 0.71 0.57 4.64 -1.90 0.84 113.55 120.57 2h94 h SER 289 Ca 0.37 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2h94 h SER 289 Cb 0.08 -0.29 0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2h94 h SER 289 CO -0.14 1.07 -0.34 1.23 -0.87 0.00 0.00 176.83 177.77 2h94 h GLY 290 N 1.06 -0.99 0.44 -0.77 0.00 -1.52 -1.51 103.07 99.77 2h94 h GLY 290 Ca 0.21 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.99 2h94 h GLY 290 CO 0.01 -0.36 0.20 1.41 0.00 0.00 0.00 176.54 177.80 2h94 h LEU 291 N -0.95 0.19 -0.31 3.11 3.38 -0.99 0.18 115.31 119.92 2h94 h LEU 291 Ca -0.10 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2h94 h LEU 291 Cb 0.73 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2h94 h LEU 291 CO 0.16 0.13 -0.26 0.00 0.09 0.00 0.00 178.44 178.55 2h94 h ALA 292 N 1.39 -0.11 0.64 1.53 0.00 -0.80 -1.92 119.26 119.98 2h94 h ALA 292 Ca 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2h94 h ALA 292 Cb 0.33 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2h94 h ALA 292 CO -0.29 -0.67 -0.31 0.00 0.00 0.00 0.00 179.25 177.99 2h94 h ALA 293 N 0.84 -0.86 -0.10 0.00 0.00 -0.50 -3.08 119.26 115.55 2h94 h ALA 293 Ca 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2h94 h ALA 293 Cb 0.48 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2h94 h ALA 293 CO -0.44 -0.95 -0.06 0.00 0.00 0.00 0.00 179.25 177.79 2h94 n ALA 294 N -2.51 -0.07 -0.22 0.00 0.00 0.56 -0.98 120.51 117.30 2h94 n ALA 294 Ca -0.13 0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2h94 n ALA 294 Cb 0.36 0.35 0.07 0.00 0.00 0.00 0.00 19.45 20.23 2h94 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h94 h ARG 295 N 0.00 0.01 -0.00 0.00 3.08 -1.43 0.31 114.38 116.34 2h94 h ARG 295 Ca 0.02 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2h94 h ARG 295 Cb 0.04 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2h94 h ARG 295 CO -0.10 0.00 -0.35 1.96 -1.07 0.00 0.00 179.97 180.41 2h94 h GLN 296 N 0.01 -0.43 -0.63 0.04 1.08 -0.96 0.48 115.11 114.71 2h94 h GLN 296 Ca 0.32 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.67 2h94 h GLN 296 Cb 0.48 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 2h94 h GLN 296 CO -0.66 -0.28 0.05 -0.07 -0.95 0.00 0.00 178.83 176.92 2h94 h LEU 297 N -0.44 -0.17 0.27 1.46 3.38 -0.28 0.41 115.31 119.93 2h94 h LEU 297 Ca 0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2h94 h LEU 297 Cb 0.48 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2h94 h LEU 297 CO -0.24 -0.08 -0.48 -0.61 0.09 0.00 0.00 178.44 177.12 2h94 h GLN 298 N 0.17 -0.78 -0.94 1.13 4.15 0.71 -1.39 115.11 118.17 2h94 h GLN 298 Ca 0.33 0.05 0.20 0.00 0.77 0.00 0.00 58.65 60.01 2h94 h GLN 298 Cb 0.54 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 28.29 2h94 h GLN 298 CO -0.49 -0.52 0.52 1.03 -1.93 0.00 0.00 178.83 177.43 2h94 h SER 299 N -0.80 0.59 0.14 -0.69 0.87 0.12 0.55 113.55 114.31 2h94 h SER 299 Ca -0.03 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2h94 h SER 299 Cb 0.75 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2h94 h SER 299 CO -0.17 0.15 0.00 0.49 -0.53 0.00 0.00 176.83 176.76 2h94 n PHE 300 N -4.89 0.00 -1.09 2.24 0.99 0.13 -4.85 117.46 109.99 2h94 n PHE 300 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 2h94 n PHE 300 Cb 0.61 -0.50 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 2h94 n PHE 300 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2h94 n GLY 301 N -1.09 0.73 3.17 1.37 0.00 0.19 -5.01 105.19 104.55 2h94 n GLY 301 Ca 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 2h94 n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h94 s MET 302 N -2.73 0.80 -0.42 1.61 -1.94 -1.08 -2.73 119.30 112.82 2h94 s MET 302 Ca 0.00 -1.11 -0.23 0.00 -1.71 0.00 0.00 55.69 52.64 2h94 s MET 302 Cb 0.00 0.29 0.02 0.00 2.01 0.00 0.00 34.83 37.15 2h94 s MET 302 CO 0.00 -0.23 0.77 0.34 -0.01 0.00 0.00 175.02 175.89 2h94 s ASP 303 N -2.91 6.44 -0.14 3.03 -1.08 -0.38 -4.45 116.67 117.19 2h94 s ASP 303 Ca 0.09 0.01 0.02 0.00 -0.52 0.00 0.00 52.55 52.15 2h94 s ASP 303 Cb 0.06 -2.38 0.01 0.00 -1.46 0.00 0.00 42.92 39.15 2h94 s ASP 303 CO -0.08 -0.85 -0.22 0.68 0.52 0.00 0.00 175.17 175.22 2h94 s VAL 304 N 3.19 2.03 -0.08 1.11 -7.23 -1.26 -0.20 120.40 117.97 2h94 s VAL 304 Ca 0.30 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2h94 s VAL 304 Cb -0.13 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2h94 s VAL 304 CO 0.21 0.55 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.54 2h94 s THR 305 N 0.82 1.12 -0.12 5.32 2.01 -0.95 -4.40 115.64 119.45 2h94 s THR 305 Ca -0.07 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 2h94 s THR 305 Cb -0.15 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2h94 s THR 305 CO -0.02 0.36 0.11 -0.76 -0.69 0.00 0.00 174.62 173.62 2h94 s LEU 306 N 0.93 4.19 -0.44 4.42 1.43 -1.10 -1.49 118.68 126.62 2h94 s LEU 306 Ca -0.09 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2h94 s LEU 306 Cb -0.15 -2.01 0.12 0.00 0.03 0.00 0.00 46.19 44.18 2h94 s LEU 306 CO 0.00 0.39 0.20 -0.76 0.23 0.00 0.00 176.35 176.41 2h94 s LEU 307 N -0.89 4.93 -0.22 1.79 1.43 -0.57 0.11 118.68 125.25 2h94 s LEU 307 Ca 0.14 -2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 50.75 2h94 s LEU 307 Cb -0.12 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2h94 s LEU 307 CO 0.03 -0.41 0.20 -0.70 0.23 0.00 0.00 176.35 175.71 2h94 s GLU 308 N 0.63 4.13 -0.33 1.70 2.56 -0.69 -1.09 118.70 125.60 2h94 s GLU 308 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.97 54.95 2h94 s GLU 308 Cb -0.22 -3.51 0.38 0.00 2.00 0.00 0.00 34.13 32.79 2h94 s GLU 308 CO -0.05 0.11 1.73 0.00 -0.56 0.00 0.00 175.26 176.49 2h94 n ALA 309 N 4.11 4.81 -2.46 6.30 0.00 -0.80 -1.97 120.51 130.49 2h94 n ALA 309 Ca -0.14 -1.97 0.04 0.00 0.00 0.00 0.00 53.44 51.37 2h94 n ALA 309 Cb 0.52 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.64 2h94 n ALA 309 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h94 n ARG 310 N -0.40 0.02 -0.40 0.00 0.63 -1.26 -4.75 116.66 110.50 2h94 n ARG 310 Ca 0.39 -1.97 0.00 0.00 -0.92 0.00 0.00 57.85 55.35 2h94 n ARG 310 Cb 1.05 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.92 2h94 n ARG 310 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2h94 n ASP 311 N 0.46 -1.73 -3.56 6.15 5.75 -1.26 -4.79 116.55 117.57 2h94 n ASP 311 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.75 2h94 n ASP 311 Cb 1.12 -1.71 -0.02 0.00 -1.03 0.00 0.00 41.12 39.49 2h94 n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h94 s ARG 312 N -0.80 1.16 0.53 0.11 1.70 -1.26 -4.92 118.95 115.47 2h94 s ARG 312 Ca 0.00 -0.50 0.09 0.00 -0.47 0.00 0.00 55.73 54.84 2h94 s ARG 312 Cb 0.00 0.49 0.06 0.00 -0.57 0.00 0.00 34.95 34.92 2h94 s ARG 312 CO 0.00 -0.52 0.67 0.14 -1.08 0.00 0.00 175.30 174.51 2h94 s VAL 313 N -3.47 2.31 0.00 4.99 -7.23 -1.26 -4.65 120.40 111.09 2h94 s VAL 313 Ca 0.05 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2h94 s VAL 313 Cb -0.02 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2h94 s VAL 313 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2h94 n GLY 314 N -2.06 2.07 6.68 2.32 0.00 -0.63 -4.90 105.19 108.67 2h94 n GLY 314 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2h94 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h94 n GLY 315 N -2.00 1.85 0.00 -0.02 0.00 -1.26 0.80 105.19 104.56 2h94 n GLY 315 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.53 2h94 n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h94 n ARG 316 N 4.38 0.61 -3.68 1.61 1.74 -1.26 -3.83 116.66 116.23 2h94 n ARG 316 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2h94 n ARG 316 Cb 0.00 -1.12 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 2h94 n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2h94 s VAL 317 N -2.00 4.04 -0.20 1.55 1.01 0.24 -1.80 120.40 123.24 2h94 s VAL 317 Ca 0.07 -3.51 -0.03 0.00 0.00 0.00 0.00 61.98 58.51 2h94 s VAL 317 Cb 0.03 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2h94 s VAL 317 CO 0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 175.10 174.09 2h94 s ALA 318 N -0.82 2.76 -0.15 5.51 0.00 -1.25 -4.61 121.76 123.21 2h94 s ALA 318 Ca 0.23 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 2h94 s ALA 318 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2h94 s ALA 318 CO -0.09 -0.29 -0.14 0.99 0.00 0.00 0.00 175.76 176.23 2h94 s THR 319 N 1.24 2.89 -0.17 0.00 2.01 -1.26 -0.18 115.64 120.17 2h94 s THR 319 Ca 0.03 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 2h94 s THR 319 Cb -0.14 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 2h94 s THR 319 CO -0.02 0.51 0.99 0.12 -0.69 0.00 0.00 174.62 175.53 2h94 s PHE 320 N 0.61 3.42 -0.32 4.92 5.36 -1.26 -4.83 117.98 125.89 2h94 s PHE 320 Ca -0.08 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 2h94 s PHE 320 Cb -0.16 -3.19 0.10 0.00 -0.34 0.00 0.00 43.02 39.44 2h94 s PHE 320 CO 0.03 -0.34 0.08 1.03 -1.46 0.00 0.00 175.22 174.57 2h94 s ARG 321 N 2.54 0.95 -0.25 10.12 0.52 -1.26 -1.28 118.95 130.29 2h94 s ARG 321 Ca 0.44 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2h94 s ARG 321 Cb -0.17 -2.35 0.07 0.00 0.52 0.00 0.00 34.95 33.02 2h94 s ARG 321 CO 0.12 -0.97 -0.00 0.21 0.02 0.00 0.00 175.30 174.68 2h94 s LYS 322 N 1.40 1.28 1.67 3.54 2.20 -1.14 -5.01 119.74 123.67 2h94 s LYS 322 Ca 0.10 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 2h94 s LYS 322 Cb -0.18 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2h94 s LYS 322 CO -0.20 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.50 2h94 n GLY 323 N 4.73 1.35 0.00 5.54 0.00 -1.26 -2.00 105.19 113.55 2h94 n GLY 323 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2h94 n GLY 323 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h94 n ASN 324 N 4.41 0.46 -4.90 1.61 5.15 -1.26 -5.05 115.26 115.68 2h94 n ASN 324 Ca 0.00 -0.81 -0.30 0.00 -0.60 0.00 0.00 54.58 52.86 2h94 n ASN 324 Cb 0.00 0.17 -0.04 0.00 -0.53 0.00 0.00 39.78 39.38 2h94 n ASN 324 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2h94 s TYR 325 N -0.17 3.46 -0.02 1.20 4.12 -0.85 -4.81 117.35 120.29 2h94 s TYR 325 Ca 0.00 0.62 -0.02 0.00 0.02 0.00 0.00 57.07 57.69 2h94 s TYR 325 Cb 0.00 -2.07 0.01 0.00 -1.52 0.00 0.00 41.96 38.38 2h94 s TYR 325 CO 0.00 0.32 0.06 0.08 0.02 0.00 0.00 175.55 176.03 2h94 s VAL 326 N -1.84 -0.01 0.09 0.71 1.01 -1.26 -2.90 120.40 116.21 2h94 s VAL 326 Ca 0.43 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2h94 s VAL 326 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2h94 s VAL 326 CO 0.26 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.37 2h94 n ALA 327 N 3.22 3.00 -1.04 5.51 0.00 -0.40 -4.98 120.51 125.81 2h94 n ALA 327 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2h94 n ALA 327 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2h94 n ALA 327 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h94 n ASP 328 N -3.17 -1.39 0.05 0.00 8.00 -1.26 -4.88 116.55 113.90 2h94 n ASP 328 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2h94 n ASP 328 Cb 0.00 -0.69 0.02 0.00 -0.02 0.00 0.00 41.12 40.42 2h94 n ASP 328 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h94 n LEU 329 N 0.00 0.64 0.00 0.64 4.77 0.75 -4.88 117.00 118.92 2h94 n LEU 329 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2h94 n LEU 329 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2h94 n LEU 329 CO 0.00 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2h94 n GLY 330 N 1.29 0.53 3.66 -0.72 0.00 -1.04 -4.84 105.19 104.07 2h94 n GLY 330 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2h94 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h94 n ALA 331 N -3.00 0.42 0.00 4.61 0.00 -0.74 -4.88 120.51 116.92 2h94 n ALA 331 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2h94 n ALA 331 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2h94 n ALA 331 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2h94 n MET 332 N -1.78 0.00 -3.88 0.00 0.00 -1.26 -4.78 117.12 105.42 2h94 n MET 332 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 2h94 n MET 332 Cb 0.48 -0.41 -0.04 0.00 0.00 0.00 0.00 33.22 33.25 2h94 n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2h94 s VAL 333 N -1.09 5.38 -0.58 1.12 1.01 -1.26 -3.24 120.40 121.74 2h94 s VAL 333 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2h94 s VAL 333 Cb 0.00 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.94 2h94 s VAL 333 CO 0.00 0.21 0.37 -0.69 0.00 0.00 0.00 175.10 174.99 2h94 s VAL 334 N -1.44 3.23 -1.01 2.92 1.01 0.68 -4.96 120.40 120.83 2h94 s VAL 334 Ca 0.32 -3.15 -0.25 0.00 0.00 0.00 0.00 61.98 58.91 2h94 s VAL 334 Cb -0.13 -3.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.93 2h94 s VAL 334 CO 0.24 -0.85 1.96 0.35 0.00 0.00 0.00 175.10 176.80 2h94 n THR 335 N 3.29 1.15 0.00 3.92 -2.24 -1.26 -1.94 114.28 117.19 2h94 n THR 335 Ca 0.07 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 2h94 n THR 335 Cb 0.35 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 2h94 n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h94 n GLY 336 N 5.68 0.57 0.00 3.38 0.00 -1.24 -4.38 105.19 109.20 2h94 n GLY 336 Ca 0.44 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2h94 n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h94 n LEU 337 N -0.61 0.72 -4.56 0.99 4.77 -1.14 -4.71 117.00 112.46 2h94 n LEU 337 Ca 0.00 -0.77 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 2h94 n LEU 337 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2h94 n LEU 337 CO 0.00 0.18 1.39 -0.83 -1.33 0.00 0.00 177.39 176.80 2h94 s GLY 338 N -0.11 0.84 0.00 -0.72 0.00 -0.12 -2.86 107.32 104.35 2h94 s GLY 338 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2h94 s GLY 338 CO 0.00 2.91 0.00 0.61 0.00 0.00 0.00 173.10 176.62 2h94 n GLY 339 N 6.34 0.41 3.64 0.20 0.00 -1.26 -3.23 105.19 111.28 2h94 n GLY 339 Ca 0.25 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2h94 n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h94 s ASN 340 N -2.97 6.32 0.56 1.61 3.84 -1.13 -4.66 114.94 118.51 2h94 s ASN 340 Ca 0.00 0.37 0.31 0.00 0.21 0.00 0.00 52.86 53.75 2h94 s ASN 340 Cb 0.00 -2.21 1.66 0.00 -0.55 0.00 0.00 41.25 40.15 2h94 s ASN 340 CO 0.00 -0.12 2.14 1.55 -2.79 0.00 0.00 177.10 177.89 2h94 h PRO 341 N 7.78 0.00 0.00 0.43 0.13 -1.91 0.44 132.00 138.87 2h94 h PRO 341 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2h94 h PRO 341 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2h94 h PRO 341 CO 0.68 0.07 0.00 1.98 -0.23 0.00 0.00 178.00 180.49 2h94 h MET 342 N 0.00 0.00 0.00 0.86 4.05 -1.94 -1.58 114.93 116.33 2h94 h MET 342 Ca -0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 2h94 h MET 342 Cb 0.24 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 2h94 h MET 342 CO 0.01 0.00 -0.58 0.00 0.23 0.00 0.00 176.91 176.57 2h94 h ALA 343 N 2.13 1.00 0.18 0.39 0.00 -1.23 -1.46 119.26 120.27 2h94 h ALA 343 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2h94 h ALA 343 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2h94 h ALA 343 CO 0.00 0.72 -0.09 0.28 0.00 0.00 0.00 179.25 180.17 2h94 h VAL 344 N 0.00 0.39 -0.58 0.00 2.07 -1.43 -3.21 116.25 113.50 2h94 h VAL 344 Ca -0.01 -1.02 0.12 0.00 0.82 0.00 0.00 66.70 66.61 2h94 h VAL 344 Cb 1.05 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 2h94 h VAL 344 CO 0.08 0.11 -0.03 0.58 0.02 0.00 0.00 177.57 178.33 2h94 h VAL 345 N -1.01 0.51 -0.91 2.57 2.07 -1.55 -1.32 116.25 116.60 2h94 h VAL 345 Ca -0.02 -0.03 0.20 0.00 0.82 0.00 0.00 66.70 67.67 2h94 h VAL 345 Cb 0.37 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 2h94 h VAL 345 CO 0.04 0.02 0.46 -1.28 0.02 0.00 0.00 177.57 176.82 2h94 h SER 346 N 0.09 0.48 1.20 0.57 0.87 -1.38 -0.12 113.55 115.27 2h94 h SER 346 Ca 0.29 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 2h94 h SER 346 Cb 0.46 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2h94 h SER 346 CO -0.51 0.11 -0.70 0.07 -0.53 0.00 0.00 176.83 175.27 2h94 h LYS 347 N 0.53 0.00 -0.12 2.24 2.10 -1.31 -0.68 116.57 119.32 2h94 h LYS 347 Ca 0.55 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 59.03 2h94 h LYS 347 Cb 0.95 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 2h94 h LYS 347 CO -0.46 0.00 -0.63 1.96 -2.00 0.00 0.00 179.45 178.33 2h94 h GLN 348 N 0.00 0.44 -0.00 0.07 4.20 -0.11 -3.07 115.11 116.65 2h94 h GLN 348 Ca 0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2h94 h GLN 348 Cb 0.95 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2h94 h GLN 348 CO 0.00 0.93 -0.50 0.28 -0.67 0.00 0.00 178.83 178.87 2h94 n VAL 349 N -3.90 0.00 -3.32 -0.54 0.31 -0.20 -4.98 118.33 105.70 2h94 n VAL 349 Ca -0.03 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.10 2h94 n VAL 349 Cb 0.64 0.33 0.07 0.00 -0.91 0.00 0.00 33.84 33.97 2h94 n VAL 349 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2h94 n ASN 350 N -1.36 -5.91 -4.36 4.52 3.02 -0.91 -4.98 115.26 105.29 2h94 n ASN 350 Ca 0.06 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.51 2h94 n ASN 350 Cb 0.34 -5.01 -0.13 0.00 -0.61 0.00 0.00 39.78 34.37 2h94 n ASN 350 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2h94 s MET 351 N -4.68 3.15 0.00 3.52 -2.45 -0.31 -5.04 119.30 113.49 2h94 s MET 351 Ca 0.40 -0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.72 2h94 s MET 351 Cb -0.06 -3.37 -0.06 0.00 1.25 0.00 0.00 34.83 32.58 2h94 s MET 351 CO 0.75 -0.42 1.60 -2.00 1.05 0.00 0.00 175.02 176.01 2h94 s GLU 352 N 1.51 4.21 0.22 4.11 2.12 -1.26 -4.82 118.70 124.79 2h94 s GLU 352 Ca 0.03 2.19 0.08 0.00 0.36 0.00 0.00 54.97 57.64 2h94 s GLU 352 Cb -0.17 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2h94 s GLU 352 CO 0.03 -0.75 0.01 -0.51 -0.54 0.00 0.00 175.26 173.50 2h94 s LEU 353 N 3.19 3.30 -0.07 2.70 1.43 -1.26 -1.38 118.68 126.59 2h94 s LEU 353 Ca 0.72 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2h94 s LEU 353 Cb -0.35 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2h94 s LEU 353 CO 0.30 0.04 0.18 0.00 0.23 0.00 0.00 176.35 177.11 2h94 s ALA 354 N -1.99 -0.46 0.74 4.21 0.00 -0.17 -4.89 121.76 119.20 2h94 s ALA 354 Ca 0.29 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 2h94 s ALA 354 Cb -0.08 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.77 2h94 s ALA 354 CO 0.19 -0.09 1.12 0.15 0.00 0.00 0.00 175.76 177.13 2h94 s LYS 355 N 0.13 2.32 -0.30 0.00 1.02 -1.26 -0.09 119.74 121.55 2h94 s LYS 355 Ca -0.00 1.37 -0.08 0.00 0.02 0.00 0.00 55.97 57.27 2h94 s LYS 355 Cb -0.02 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2h94 s LYS 355 CO 0.00 -1.62 0.11 0.42 -0.92 0.00 0.00 175.35 173.34 2h94 s ILE 356 N -2.55 4.25 -0.07 2.17 1.01 -1.13 -4.77 121.20 120.11 2h94 s ILE 356 Ca 0.66 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 2h94 s ILE 356 Cb -0.20 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 2h94 s ILE 356 CO 0.49 0.08 2.02 -0.54 0.00 0.00 0.00 174.94 176.99 2h94 s LYS 357 N 1.55 3.79 0.37 2.79 1.02 -1.26 -4.85 119.74 123.15 2h94 s LYS 357 Ca 0.04 2.35 0.04 0.00 0.02 0.00 0.00 55.97 58.42 2h94 s LYS 357 Cb -0.17 -4.22 0.72 0.00 -0.52 0.00 0.00 37.83 33.64 2h94 s LYS 357 CO 0.04 -1.36 2.01 -0.56 -0.92 0.00 0.00 175.35 174.56 2h94 h GLN 358 N 12.06 0.67 -6.19 1.68 -0.00 -1.97 -3.39 115.11 117.96 2h94 h GLN 358 Ca -0.45 -0.06 -0.72 0.00 -0.00 0.00 0.00 58.65 57.42 2h94 h GLN 358 Cb 1.23 -0.14 0.05 0.00 -0.00 0.00 0.00 27.48 28.62 2h94 h GLN 358 CO 0.95 0.48 0.42 1.17 -0.00 0.00 0.00 178.83 181.85 2h94 n LYS 359 N -4.43 0.86 -3.66 0.06 3.00 -1.26 -4.95 118.16 107.79 2h94 n LYS 359 Ca 0.04 0.31 -0.09 0.00 -0.00 0.00 0.00 58.31 58.57 2h94 n LYS 359 Cb 0.08 -1.92 -0.10 0.00 0.00 0.00 0.00 35.03 33.09 2h94 n LYS 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2h94 s PRO 361 N 2.59 3.54 -0.21 0.00 0.04 -1.26 -4.89 135.00 134.81 2h94 s PRO 361 Ca -0.01 -0.16 -0.07 0.00 0.04 0.00 0.00 61.00 60.80 2h94 s PRO 361 Cb -0.12 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2h94 s PRO 361 CO -0.12 0.63 0.04 -0.51 0.04 0.00 0.00 177.00 177.08 2h94 s LEU 362 N -1.96 3.52 -0.21 -3.56 1.43 -1.26 -1.29 118.68 115.35 2h94 s LEU 362 Ca 0.30 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2h94 s LEU 362 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2h94 s LEU 362 CO 0.19 0.08 0.03 -0.31 0.23 0.00 0.00 176.35 176.57 2h94 s TYR 363 N 0.93 3.10 1.13 0.29 1.51 -0.33 -3.29 117.35 120.69 2h94 s TYR 363 Ca 0.03 -0.29 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 2h94 s TYR 363 Cb -0.14 -2.11 0.29 0.00 -0.11 0.00 0.00 41.96 39.89 2h94 s TYR 363 CO 0.02 -0.15 0.72 0.39 -1.11 0.00 0.00 175.55 175.42 2h94 n GLU 364 N 4.19 -4.04 0.00 -0.62 1.02 0.20 -0.65 120.64 120.74 2h94 n GLU 364 Ca -0.17 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 2h94 n GLU 364 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2h94 n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h94 n ALA 365 N -5.12 2.08 0.00 0.62 0.00 -1.26 -2.53 120.51 114.30 2h94 n ALA 365 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2h94 n ALA 365 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2h94 n ALA 365 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2h94 n ASN 366 N 0.51 0.17 0.00 0.00 3.02 -1.26 -5.01 115.26 112.69 2h94 n ASN 366 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2h94 n ASN 366 Cb 0.27 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2h94 n ASN 366 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h94 n GLY 367 N 0.14 2.00 3.70 7.41 0.00 -1.05 -4.67 105.19 112.72 2h94 n GLY 367 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.42 2h94 n GLY 367 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h94 n GLN 368 N -0.35 0.85 0.00 1.61 1.13 -1.26 -4.59 117.38 114.77 2h94 n GLN 368 Ca 0.00 0.31 0.03 0.00 -1.94 0.00 0.00 57.00 55.40 2h94 n GLN 368 Cb 0.00 -1.96 0.16 0.00 0.11 0.00 0.00 30.24 28.55 2h94 n GLN 368 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2h94 n ALA 369 N 5.29 1.91 -2.59 -1.58 0.00 -1.26 -0.63 120.51 121.65 2h94 n ALA 369 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 2h94 n ALA 369 Cb 0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2h94 n ALA 369 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h94 n VAL 370 N -0.72 -9.82 -1.69 0.00 0.31 -1.21 -4.30 118.33 100.90 2h94 n VAL 370 Ca 0.04 2.15 -0.56 0.00 -0.01 0.00 0.00 64.34 65.97 2h94 n VAL 370 Cb 0.02 -5.30 -0.07 0.00 -0.91 0.00 0.00 33.84 27.59 2h94 n VAL 370 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2h94 n PRO 371 N 1.94 1.25 -0.18 5.55 -0.04 -1.26 -4.66 135.00 137.59 2h94 n PRO 371 Ca -0.22 0.46 0.18 0.00 -0.04 0.00 0.00 63.50 63.88 2h94 n PRO 371 Cb 0.34 -2.15 0.33 0.00 -0.04 0.00 0.00 33.50 31.99 2h94 n PRO 371 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2h94 n LYS 372 N 4.90 -0.03 -0.13 0.54 4.81 -1.26 0.33 118.16 127.32 2h94 n LYS 372 Ca 0.24 0.76 -0.12 0.00 -0.87 0.00 0.00 58.31 58.32 2h94 n LYS 372 Cb 0.16 -1.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.81 2h94 n LYS 372 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2h94 h GLU 373 N 0.00 0.89 -0.40 1.64 5.08 -1.99 -1.73 114.58 118.06 2h94 h GLU 373 Ca 0.47 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2h94 h GLU 373 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2h94 h GLU 373 CO -0.41 1.08 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.45 2h94 h LYS 374 N 0.71 0.72 -0.31 2.33 3.64 -0.46 -0.29 116.57 122.91 2h94 h LYS 374 Ca 0.08 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2h94 h LYS 374 Cb 0.86 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2h94 h LYS 374 CO 0.08 0.81 0.20 0.22 -2.27 0.00 0.00 179.45 178.49 2h94 h ASP 375 N 0.55 0.32 0.19 4.20 3.58 -1.39 -1.50 116.42 122.36 2h94 h ASP 375 Ca 0.11 -0.01 -0.29 0.00 0.42 0.00 0.00 57.03 57.27 2h94 h ASP 375 Cb 0.50 -0.08 0.03 0.00 1.72 0.00 0.00 39.33 41.50 2h94 h ASP 375 CO 0.02 0.23 -1.25 -0.33 -2.88 0.00 0.00 179.24 175.02 2h94 h GLU 376 N 0.37 0.51 0.33 0.28 5.08 -0.80 -2.79 114.58 117.55 2h94 h GLU 376 Ca 0.12 -0.80 -0.02 0.00 -1.00 0.00 0.00 59.36 57.66 2h94 h GLU 376 Cb 0.02 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2h94 h GLU 376 CO -0.03 1.38 -0.16 1.98 -1.00 0.00 0.00 179.01 181.18 2h94 h MET 377 N 0.05 -0.43 0.34 2.33 4.05 -0.74 -1.08 114.93 119.46 2h94 h MET 377 Ca -0.21 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.23 2h94 h MET 377 Cb 1.97 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 32.85 2h94 h MET 377 CO 0.24 -0.23 -0.31 0.28 0.23 0.00 0.00 176.91 177.11 2h94 h VAL 378 N -0.52 0.35 -0.92 -5.77 2.07 -1.42 0.41 116.25 110.44 2h94 h VAL 378 Ca -0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 2h94 h VAL 378 Cb 0.39 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 2h94 h VAL 378 CO 0.07 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.17 2h94 h GLU 379 N -0.67 0.63 -0.47 1.57 4.81 -1.48 0.30 114.58 119.27 2h94 h GLU 379 Ca -0.02 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2h94 h GLU 379 Cb 0.60 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2h94 h GLU 379 CO -0.04 0.42 -0.12 1.96 -0.73 0.00 0.00 179.01 180.49 2h94 h GLN 380 N 0.65 0.91 0.00 1.92 4.20 -0.60 -1.62 115.11 120.57 2h94 h GLN 380 Ca 0.48 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2h94 h GLN 380 Cb 0.84 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2h94 h GLN 380 CO -0.23 1.00 0.00 1.49 -0.67 0.00 0.00 178.83 180.42 2h94 h GLU 381 N 0.75 0.00 0.20 1.46 4.57 0.16 0.42 114.58 122.14 2h94 h GLU 381 Ca 0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2h94 h GLU 381 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2h94 h GLU 381 CO 0.05 0.00 -0.10 0.35 -1.18 0.00 0.00 179.01 178.13 2h94 h PHE 382 N 0.00 -0.25 -0.84 0.92 3.57 0.24 -2.18 116.94 118.40 2h94 h PHE 382 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 2h94 h PHE 382 Cb 0.28 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 2h94 h PHE 382 CO 0.00 -0.16 0.55 -0.91 -2.23 0.00 0.00 178.31 175.56 2h94 h ASN 383 N -0.91 0.50 0.39 0.41 2.35 -0.93 -0.28 115.58 117.10 2h94 h ASN 383 Ca -0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2h94 h ASN 383 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2h94 h ASN 383 CO 0.05 0.24 -0.25 0.03 -1.65 0.00 0.00 177.43 175.85 2h94 h ARG 384 N 0.52 -0.59 0.25 0.81 3.08 -0.21 -2.09 114.38 116.14 2h94 h ARG 384 Ca 0.42 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.51 2h94 h ARG 384 Cb 0.86 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2h94 h ARG 384 CO -0.16 -0.39 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.06 2h94 h LEU 385 N -0.61 -0.55 -0.78 3.04 3.38 -0.49 -2.54 115.31 116.77 2h94 h LEU 385 Ca -0.04 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2h94 h LEU 385 Cb 0.51 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 2h94 h LEU 385 CO 0.04 -0.32 0.34 0.25 0.09 0.00 0.00 178.44 178.84 2h94 h LEU 386 N -0.47 0.34 -1.04 1.67 5.85 -1.10 -0.56 115.31 120.01 2h94 h LEU 386 Ca -0.01 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2h94 h LEU 386 Cb 0.42 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2h94 h LEU 386 CO -0.02 0.13 -0.45 1.05 -0.34 0.00 0.00 178.44 178.80 2h94 h GLU 387 N 0.49 0.06 -0.29 1.25 -0.00 -1.25 -2.26 114.58 112.57 2h94 h GLU 387 Ca 0.43 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.76 2h94 h GLU 387 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.37 2h94 h GLU 387 CO -0.39 0.50 0.17 0.00 -0.00 0.00 0.00 179.01 179.30 2h94 h ALA 388 N 1.50 0.37 -0.47 1.06 0.00 -0.70 -2.10 119.26 118.92 2h94 h ALA 388 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2h94 h ALA 388 Cb 0.82 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2h94 h ALA 388 CO 0.06 -0.13 -0.20 1.15 0.00 0.00 0.00 179.25 180.14 2h94 h THR 389 N 0.37 0.39 -0.63 0.00 2.02 -0.96 0.81 112.91 114.90 2h94 h THR 389 Ca 0.10 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.39 2h94 h THR 389 Cb 0.01 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2h94 h THR 389 CO -0.02 0.00 0.42 -1.28 0.37 0.00 0.00 175.52 175.01 2h94 h SER 390 N -0.09 0.40 0.03 4.18 0.87 -0.83 -2.09 113.55 116.02 2h94 h SER 390 Ca 0.22 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2h94 h SER 390 Cb 0.44 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2h94 h SER 390 CO -0.53 0.24 -0.02 0.22 -0.53 0.00 0.00 176.83 176.21 2h94 h TYR 391 N 0.44 -0.04 -0.83 2.24 3.20 -0.33 -0.21 116.97 121.44 2h94 h TYR 391 Ca 0.29 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.36 2h94 h TYR 391 Cb 0.56 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 2h94 h TYR 391 CO -0.00 0.48 0.56 -0.07 -1.64 0.00 0.00 178.16 177.49 2h94 h LEU 392 N -0.58 0.32 0.00 2.82 3.38 -0.60 0.11 115.31 120.77 2h94 h LEU 392 Ca -0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h94 h LEU 392 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2h94 h LEU 392 CO 0.01 0.14 -0.07 -1.28 0.09 0.00 0.00 178.44 177.33 2h94 h SER 393 N 0.33 0.00 -0.31 -0.43 0.87 -1.30 0.20 113.55 112.90 2h94 h SER 393 Ca 0.42 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2h94 h SER 393 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2h94 h SER 393 CO -0.13 0.57 0.00 1.41 -0.53 0.00 0.00 176.83 178.15 2h94 n HIS 394 N -4.75 0.41 0.00 2.24 8.25 -0.10 -2.49 115.22 118.78 2h94 n HIS 394 Ca -0.02 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2h94 n HIS 394 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2h94 n HIS 394 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2h94 n GLN 395 N 0.61 3.34 0.00 -0.41 1.13 0.00 -4.80 117.38 117.26 2h94 n GLN 395 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2h94 n GLN 395 Cb 0.36 -0.70 0.00 0.00 0.11 0.00 0.00 30.24 30.01 2h94 n GLN 395 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2h94 n LEU 396 N -0.66 0.84 -4.01 1.08 4.32 -1.08 -5.01 117.00 112.47 2h94 n LEU 396 Ca 0.00 -0.87 -0.32 0.00 -0.02 0.00 0.00 56.01 54.81 2h94 n LEU 396 Cb 0.03 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.83 2h94 n LEU 396 CO 0.00 0.21 0.05 -0.67 -1.22 0.00 0.00 177.39 175.76 2h94 n ASP 397 N -0.06 -4.12 -3.39 -1.43 2.03 -1.04 -4.83 116.55 103.72 2h94 n ASP 397 Ca 0.00 -0.86 -0.40 0.00 0.52 0.00 0.00 54.79 54.05 2h94 n ASP 397 Cb 0.03 -3.50 -0.02 0.00 -0.72 0.00 0.00 41.12 36.90 2h94 n ASP 397 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2h94 n PHE 398 N -4.57 2.53 0.16 -0.67 7.35 0.69 -4.42 117.46 118.53 2h94 n PHE 398 Ca 0.04 -3.00 0.07 0.00 -0.76 0.00 0.00 57.45 53.79 2h94 n PHE 398 Cb 0.52 -2.29 -0.10 0.00 0.35 0.00 0.00 39.48 37.96 2h94 n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2h94 n ASN 399 N 3.14 1.48 -3.66 -2.13 3.02 -1.26 -4.66 115.26 111.18 2h94 n ASN 399 Ca 0.72 -0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.78 2h94 n ASN 399 Cb 0.24 1.48 -0.16 0.00 -0.61 0.00 0.00 39.78 40.73 2h94 n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2h94 s VAL 400 N -2.80 0.35 -0.27 2.41 1.01 -1.26 -0.91 120.40 118.92 2h94 s VAL 400 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2h94 s VAL 400 Cb 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2h94 s VAL 400 CO 0.58 -0.45 0.00 -0.22 0.00 0.00 0.00 175.10 175.01 2h94 s LEU 401 N 1.91 3.50 -0.72 3.92 2.96 -0.01 -4.63 118.68 125.61 2h94 s LEU 401 Ca 0.04 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.12 2h94 s LEU 401 Cb -0.17 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2h94 s LEU 401 CO -0.19 -0.16 0.62 0.59 -1.32 0.00 0.00 176.35 175.89 2h94 n ASN 402 N 4.75 -3.29 -0.72 3.68 3.02 -1.26 -2.63 115.26 118.81 2h94 n ASN 402 Ca -0.15 -0.42 -0.04 0.00 -0.03 0.00 0.00 54.58 53.93 2h94 n ASN 402 Cb 0.47 -3.48 -0.02 0.00 -0.61 0.00 0.00 39.78 36.15 2h94 n ASN 402 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h94 n ASN 403 N -2.46 -2.01 -4.50 6.41 5.15 -1.26 -4.89 115.26 111.70 2h94 n ASN 403 Ca -0.12 0.11 -0.30 0.00 -0.60 0.00 0.00 54.58 53.66 2h94 n ASN 403 Cb 0.59 -1.84 -0.12 0.00 -0.53 0.00 0.00 39.78 37.88 2h94 n ASN 403 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2h94 s LYS 404 N -1.85 1.99 0.16 1.20 1.02 -1.08 -5.12 119.74 116.07 2h94 s LYS 404 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 2h94 s LYS 404 Cb 0.00 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 2h94 s LYS 404 CO 0.00 0.51 1.11 -2.14 -0.92 0.00 0.00 175.35 173.91 2h94 s PRO 405 N -1.85 4.57 0.08 -1.68 0.02 -1.26 -0.83 135.00 134.05 2h94 s PRO 405 Ca 0.17 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 2h94 s PRO 405 Cb -0.11 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2h94 s PRO 405 CO 0.09 0.04 0.98 0.08 -0.33 0.00 0.00 177.00 177.85 2h94 s VAL 406 N -0.09 4.56 0.27 3.83 1.01 -0.09 -4.86 120.40 125.03 2h94 s VAL 406 Ca 0.50 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.56 2h94 s VAL 406 Cb -0.29 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2h94 s VAL 406 CO 0.34 0.27 0.41 -0.94 0.00 0.00 0.00 175.10 175.18 2h94 s SER 407 N 0.28 6.26 0.10 3.32 1.04 -1.26 -1.18 113.70 122.26 2h94 s SER 407 Ca 0.49 0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 2h94 s SER 407 Cb -0.23 -1.80 -0.13 0.00 0.10 0.00 0.00 66.02 63.96 2h94 s SER 407 CO 0.30 -0.17 1.74 0.25 0.98 0.00 0.00 173.24 176.34 2h94 h LEU 408 N 1.05 0.06 -1.76 2.42 5.85 -1.10 -1.89 115.31 119.94 2h94 h LEU 408 Ca -0.51 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.22 2h94 h LEU 408 Cb 1.23 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2h94 h LEU 408 CO 0.60 0.06 0.20 1.23 -0.34 0.00 0.00 178.44 180.18 2h94 h GLY 409 N 0.06 0.35 0.79 3.75 0.00 -0.97 0.11 103.07 107.15 2h94 h GLY 409 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2h94 h GLY 409 CO -0.00 0.11 -0.02 -1.61 0.00 0.00 0.00 176.54 175.01 2h94 h GLN 410 N 0.31 -0.07 -0.72 4.80 4.15 -1.69 -2.27 115.11 119.64 2h94 h GLN 410 Ca 0.12 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 2h94 h GLN 410 Cb 0.09 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2h94 h GLN 410 CO -0.03 0.16 0.20 0.00 -1.93 0.00 0.00 178.83 177.23 2h94 h ALA 411 N 0.65 0.94 -0.92 3.38 0.00 -0.57 -2.42 119.26 120.34 2h94 h ALA 411 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2h94 h ALA 411 Cb 0.25 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2h94 h ALA 411 CO 0.01 0.65 0.56 -0.07 0.00 0.00 0.00 179.25 180.39 2h94 h LEU 412 N 1.07 0.82 -1.23 0.00 3.38 -0.72 0.15 115.31 118.79 2h94 h LEU 412 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2h94 h LEU 412 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2h94 h LEU 412 CO -0.00 0.47 0.00 -0.33 0.09 0.00 0.00 178.44 178.67 2h94 h GLU 413 N 0.93 0.00 0.10 1.13 4.39 -0.93 -1.99 114.58 118.20 2h94 h GLU 413 Ca 0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.13 2h94 h GLU 413 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2h94 h GLU 413 CO -0.24 0.00 -0.05 0.28 -1.16 0.00 0.00 179.01 177.84 2h94 h VAL 414 N 0.00 0.48 -0.50 3.13 2.07 -0.37 -2.80 116.25 118.26 2h94 h VAL 414 Ca 0.00 -1.20 0.10 0.00 0.82 0.00 0.00 66.70 66.41 2h94 h VAL 414 Cb 0.51 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 2h94 h VAL 414 CO 0.00 0.15 0.00 0.58 0.02 0.00 0.00 177.57 178.32 2h94 h VAL 415 N -1.00 0.62 0.13 2.57 2.07 -1.21 -0.07 116.25 119.35 2h94 h VAL 415 Ca -0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2h94 h VAL 415 Cb 0.35 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2h94 h VAL 415 CO 0.02 0.02 -0.26 0.40 0.02 0.00 0.00 177.57 177.77 2h94 h ILE 416 N 0.12 0.42 -0.17 4.57 2.04 -1.48 -0.87 117.51 122.14 2h94 h ILE 416 Ca 0.25 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.16 2h94 h ILE 416 Cb 0.37 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2h94 h ILE 416 CO -0.41 0.00 0.23 -0.61 0.00 0.00 0.00 178.15 177.36 2h94 h GLN 417 N -0.48 0.00 0.15 2.37 4.15 -1.04 0.10 115.11 120.37 2h94 h GLN 417 Ca 0.03 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.15 2h94 h GLN 417 Cb 0.50 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.21 2h94 h GLN 417 CO -0.15 0.00 -1.29 -0.07 -1.93 0.00 0.00 178.83 175.40 2h94 h LEU 418 N 0.00 0.66 -0.80 -2.39 3.38 0.27 -2.78 115.31 113.65 2h94 h LEU 418 Ca 0.08 -0.66 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 2h94 h LEU 418 Cb 0.54 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2h94 h LEU 418 CO -0.00 1.50 -0.54 -0.61 0.09 0.00 0.00 178.44 178.88 2h94 h GLN 419 N 0.15 0.00 0.00 1.13 4.15 0.12 -0.86 115.11 119.81 2h94 h GLN 419 Ca -0.18 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 2h94 h GLN 419 Cb 1.98 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.67 2h94 h GLN 419 CO 0.23 0.54 -0.18 0.93 -1.93 0.00 0.00 178.83 178.42 2h94 h GLU 420 N 0.00 0.00 0.17 1.69 5.08 -0.88 -2.22 114.58 118.43 2h94 h GLU 420 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2h94 h GLU 420 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2h94 h GLU 420 CO 0.07 0.18 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.96 2h94 h LYS 421 N 0.00 -0.22 -0.88 2.33 1.63 -0.90 -2.29 116.57 116.23 2h94 h LYS 421 Ca -0.00 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.02 2h94 h LYS 421 Cb 0.50 0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 32.06 2h94 h LYS 421 CO 0.02 0.17 0.38 0.45 -3.45 0.00 0.00 179.45 177.03 2h94 h HIS 422 N -0.91 0.63 0.72 1.91 3.86 -1.11 0.45 115.15 120.70 2h94 h HIS 422 Ca -0.02 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2h94 h HIS 422 Cb 0.50 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.84 2h94 h HIS 422 CO 0.08 -0.03 -0.34 0.28 0.86 0.00 0.00 177.93 178.77 2h94 h VAL 423 N 0.41 0.24 0.00 2.45 2.07 -1.42 0.00 116.25 120.00 2h94 h VAL 423 Ca 0.54 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.94 2h94 h VAL 423 Cb 1.00 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2h94 h VAL 423 CO -0.51 0.01 -0.00 0.50 0.02 0.00 0.00 177.57 177.59 2h94 h LYS 424 N -1.06 0.00 0.00 1.57 1.63 -0.62 -2.03 116.57 116.06 2h94 h LYS 424 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2h94 h LYS 424 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2h94 h LYS 424 CO 0.16 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.91 2h94 n ASP 425 N -3.15 0.00 0.00 4.20 9.92 0.15 -3.02 116.55 124.64 2h94 n ASP 425 Ca -0.03 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 2h94 n ASP 425 Cb 0.07 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 2h94 n ASP 425 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2h94 n GLU 426 N -1.67 0.00 0.04 -1.24 0.28 -0.07 0.12 120.64 118.11 2h94 n GLU 426 Ca 0.00 0.17 -0.06 0.00 -0.16 0.00 0.00 57.16 57.11 2h94 n GLU 426 Cb 0.00 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.25 2h94 n GLU 426 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2h94 h GLN 427 N 0.00 0.00 0.00 3.44 4.15 -1.42 -3.23 115.11 118.05 2h94 h GLN 427 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 2h94 h GLN 427 Cb 0.02 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2h94 h GLN 427 CO 0.00 0.69 -1.45 0.82 -1.93 0.00 0.00 178.83 176.96 2h94 h ILE 428 N 0.00 0.71 0.00 2.39 2.04 0.11 -2.91 117.51 119.85 2h94 h ILE 428 Ca -0.12 -2.35 -0.04 0.00 1.00 0.00 0.00 64.86 63.35 2h94 h ILE 428 Cb 1.79 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 2h94 h ILE 428 CO 0.10 0.40 -0.19 -0.33 0.00 0.00 0.00 178.15 178.13 2h94 h GLU 429 N 0.00 0.00 0.00 2.37 5.08 -1.52 0.32 114.58 120.83 2h94 h GLU 429 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2h94 h GLU 429 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 2h94 h GLU 429 CO 0.06 0.19 0.00 1.58 -1.00 0.00 0.00 179.01 179.85 2h94 n HIS 430 N -4.31 0.00 -0.51 4.33 -0.00 -1.22 -2.95 115.22 110.56 2h94 n HIS 430 Ca -0.02 0.00 0.42 0.00 0.46 0.00 0.00 57.72 58.57 2h94 n HIS 430 Cb 0.25 -0.37 0.69 0.00 -0.12 0.00 0.00 29.99 30.44 2h94 n HIS 430 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 2h94 n TRP 431 N -1.60 0.54 0.05 1.57 -0.00 -1.10 -1.07 117.44 115.83 2h94 n TRP 431 Ca 0.00 0.55 -0.02 0.00 -0.00 0.00 0.00 57.50 58.03 2h94 n TRP 431 Cb 0.00 -0.99 -0.01 0.00 -0.00 0.00 0.00 31.31 30.31 2h94 n TRP 431 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 2h94 h LYS 432 N 0.00 -0.11 0.00 5.87 1.63 -1.01 -2.61 116.57 120.33 2h94 h LYS 432 Ca 0.87 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.68 2h94 h LYS 432 Cb 2.95 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 34.61 2h94 h LYS 432 CO -0.36 -0.08 0.00 1.57 -3.45 0.00 0.00 179.45 177.13 2h94 h LYS 433 N -0.12 0.00 -0.21 1.90 2.10 -0.98 0.62 116.57 119.88 2h94 h LYS 433 Ca -0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 2h94 h LYS 433 Cb 0.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2h94 h LYS 433 CO 0.02 0.00 -0.15 0.82 -2.00 0.00 0.00 179.45 178.14 2h94 h ILE 434 N 0.00 1.32 -0.33 0.07 2.04 -1.31 -2.82 117.51 116.48 2h94 h ILE 434 Ca 0.00 -1.27 -0.12 0.00 1.00 0.00 0.00 64.86 64.47 2h94 h ILE 434 Cb 0.11 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2h94 h ILE 434 CO 0.00 0.39 -0.29 0.58 0.00 0.00 0.00 178.15 178.83 2h94 h VAL 435 N 0.16 1.28 0.00 1.67 2.07 -0.55 -0.89 116.25 119.98 2h94 h VAL 435 Ca 0.04 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2h94 h VAL 435 Cb 0.68 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2h94 h VAL 435 CO 0.04 0.46 0.00 0.29 0.02 0.00 0.00 177.57 178.38 2h94 n LYS 436 N -4.09 0.09 -0.13 1.57 4.01 -0.28 -1.52 118.16 117.80 2h94 n LYS 436 Ca -0.01 0.34 -0.24 0.00 -0.51 0.00 0.00 58.31 57.89 2h94 n LYS 436 Cb 0.46 -1.67 -0.11 0.00 -0.51 0.00 0.00 35.03 33.20 2h94 n LYS 436 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2h94 n THR 437 N -1.83 1.53 -0.25 -0.18 -1.04 -1.06 -3.50 114.28 107.95 2h94 n THR 437 Ca 0.03 -0.46 0.18 0.00 -2.04 0.00 0.00 64.05 61.77 2h94 n THR 437 Cb 0.19 -1.70 0.49 0.00 -1.82 0.00 0.00 70.33 67.50 2h94 n THR 437 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2h94 h GLN 438 N -0.55 0.43 -0.03 -2.82 4.20 -0.91 0.26 115.11 115.69 2h94 h GLN 438 Ca -0.63 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 57.89 2h94 h GLN 438 Cb 1.74 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.41 2h94 h GLN 438 CO -0.26 0.28 -0.75 0.93 -0.67 0.00 0.00 178.83 178.37 2h94 h GLU 439 N 0.44 0.20 -0.36 1.46 5.08 -1.44 -2.94 114.58 117.02 2h94 h GLU 439 Ca 0.48 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2h94 h GLU 439 Cb 1.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2h94 h GLU 439 CO -0.19 0.86 -0.34 0.93 -1.00 0.00 0.00 179.01 179.26 2h94 h GLU 440 N 0.13 0.87 -0.42 2.33 5.08 -0.55 -0.54 114.58 121.48 2h94 h GLU 440 Ca -0.03 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2h94 h GLU 440 Cb 1.32 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2h94 h GLU 440 CO 0.11 1.10 0.08 -0.07 -1.00 0.00 0.00 179.01 179.24 2h94 h LEU 441 N 0.68 0.65 -1.31 1.33 3.38 -1.42 0.15 115.31 118.77 2h94 h LEU 441 Ca 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2h94 h LEU 441 Cb 0.93 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2h94 h LEU 441 CO 0.09 0.73 0.03 0.50 0.09 0.00 0.00 178.44 179.87 2h94 h LYS 442 N 0.54 0.49 0.00 1.13 1.63 -1.47 0.90 116.57 119.79 2h94 h LYS 442 Ca 0.13 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2h94 h LYS 442 Cb 0.35 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2h94 h LYS 442 CO 0.01 0.50 0.00 1.49 -3.45 0.00 0.00 179.45 177.99 2h94 h GLU 443 N 0.47 0.00 0.01 1.90 4.81 -0.59 -3.09 114.58 118.09 2h94 h GLU 443 Ca 0.11 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.00 2h94 h GLU 443 Cb 0.27 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2h94 h GLU 443 CO 0.00 0.00 -2.11 -0.11 -0.73 0.00 0.00 179.01 176.07 2h94 n LEU 444 N -2.70 0.82 0.15 1.64 0.00 0.50 -3.69 117.00 113.71 2h94 n LEU 444 Ca 0.05 0.16 0.05 0.00 0.00 0.00 0.00 56.01 56.27 2h94 n LEU 444 Cb 0.47 0.12 0.50 0.00 0.00 0.00 0.00 43.42 44.50 2h94 n LEU 444 CO 0.32 0.53 1.02 -0.07 0.00 0.00 0.00 177.39 179.19 2h94 h LEU 445 N 0.01 0.19 -0.40 -1.96 3.38 0.80 0.67 115.31 118.00 2h94 h LEU 445 Ca -0.44 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.33 2h94 h LEU 445 Cb 2.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 2h94 h LEU 445 CO 0.04 0.22 -0.68 0.78 0.09 0.00 0.00 178.44 178.90 2h94 h ASN 446 N 0.21 0.60 0.09 -0.43 2.35 -1.68 0.10 115.58 116.83 2h94 h ASN 446 Ca 0.05 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.35 2h94 h ASN 446 Cb 0.12 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2h94 h ASN 446 CO 0.00 1.11 -0.26 0.50 -1.65 0.00 0.00 177.43 177.13 2h94 h LYS 447 N 0.37 0.28 0.04 0.81 3.64 -1.24 -0.35 116.57 120.12 2h94 h LYS 447 Ca -0.02 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2h94 h LYS 447 Cb 1.25 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2h94 h LYS 447 CO 0.12 0.52 -0.33 0.52 -2.27 0.00 0.00 179.45 178.02 2h94 h MET 448 N 0.25 0.14 0.00 1.90 2.86 -0.73 -2.65 114.93 116.71 2h94 h MET 448 Ca 0.04 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2h94 h MET 448 Cb 0.60 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 2h94 h MET 448 CO 0.04 1.05 -0.07 0.28 1.06 0.00 0.00 176.91 179.27 2h94 h VAL 449 N -0.66 0.82 0.00 -2.22 2.07 -0.73 0.68 116.25 116.21 2h94 h VAL 449 Ca -0.05 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2h94 h VAL 449 Cb 1.21 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2h94 h VAL 449 CO 0.06 0.07 -0.72 -1.13 0.02 0.00 0.00 177.57 175.88 2h94 h ASN 450 N 0.00 0.00 1.15 0.57 -0.73 -1.10 -3.08 115.58 112.38 2h94 h ASN 450 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2h94 h ASN 450 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2h94 h ASN 450 CO 0.01 0.72 -0.42 0.25 -0.37 0.00 0.00 177.43 177.61 2h94 h LEU 451 N 0.00 0.00 -0.77 0.34 5.85 -0.70 -3.20 115.31 116.83 2h94 h LEU 451 Ca -0.01 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2h94 h LEU 451 Cb 1.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2h94 h LEU 451 CO 0.09 0.06 -0.23 0.11 -0.34 0.00 0.00 178.44 178.13 2h94 h LYS 452 N 0.00 0.00 0.01 1.25 1.57 -0.85 -1.94 116.57 116.60 2h94 h LYS 452 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2h94 h LYS 452 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2h94 h LYS 452 CO 0.00 0.23 -0.06 0.93 -0.57 0.00 0.00 179.45 179.97 2h94 h GLU 453 N 0.00 0.03 -0.74 3.15 4.39 -1.59 -2.43 114.58 117.40 2h94 h GLU 453 Ca -0.00 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2h94 h GLU 453 Cb 0.89 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 2h94 h GLU 453 CO 0.03 0.95 0.48 0.87 -1.16 0.00 0.00 179.01 180.18 2h94 h LYS 454 N -0.87 0.76 -0.34 2.33 1.57 -1.58 0.92 116.57 119.36 2h94 h LYS 454 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h94 h LYS 454 Cb 0.98 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2h94 h LYS 454 CO 0.01 0.50 0.00 0.44 -0.57 0.00 0.00 179.45 179.84 2h94 n ILE 455 N -4.48 0.44 -0.06 1.86 -5.35 -0.74 -2.57 119.36 108.47 2h94 n ILE 455 Ca 0.11 -0.49 -0.08 0.00 -0.27 0.00 0.00 62.75 62.01 2h94 n ILE 455 Cb 0.21 0.32 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 2h94 n ILE 455 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2h94 n LYS 456 N 0.60 0.44 -0.11 6.28 3.00 0.88 -3.53 118.16 125.72 2h94 n LYS 456 Ca 0.14 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.40 2h94 n LYS 456 Cb 0.34 -1.25 -0.03 0.00 0.00 0.00 0.00 35.03 34.09 2h94 n LYS 456 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2h94 h GLU 457 N 0.00 0.74 0.05 1.64 4.57 0.56 -2.83 114.58 119.31 2h94 h GLU 457 Ca -0.28 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.55 2h94 h GLU 457 Cb 1.44 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 2h94 h GLU 457 CO -0.04 0.96 -0.03 1.25 -1.18 0.00 0.00 179.01 179.97 2h94 h LEU 458 N 0.51 -0.06 -1.75 1.64 5.85 -1.70 -2.70 115.31 117.11 2h94 h LEU 458 Ca 0.07 -0.52 0.39 0.00 0.84 0.00 0.00 57.88 58.66 2h94 h LEU 458 Cb 0.77 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 2h94 h LEU 458 CO 0.06 0.51 0.92 -0.74 -0.34 0.00 0.00 178.44 178.86 2h94 h HIS 459 N -0.66 0.24 0.05 1.25 2.76 -1.60 -0.09 115.15 117.10 2h94 h HIS 459 Ca -0.01 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 2h94 h HIS 459 Cb 0.57 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2h94 h HIS 459 CO 0.12 -0.03 -0.95 0.37 -1.30 0.00 0.00 177.93 176.13 2h94 h GLN 460 N 0.10 0.11 0.00 5.26 4.15 -1.49 -3.12 115.11 120.12 2h94 h GLN 460 Ca 0.69 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.92 2h94 h GLN 460 Cb 2.46 0.07 0.00 0.00 0.21 0.00 0.00 27.48 30.22 2h94 h GLN 460 CO -0.15 1.09 0.00 1.04 -1.93 0.00 0.00 178.83 178.88 2h94 n GLN 461 N -4.27 0.08 -0.06 1.69 6.02 -0.58 -1.38 117.38 118.89 2h94 n GLN 461 Ca -0.22 0.53 -0.05 0.00 -0.01 0.00 0.00 57.00 57.25 2h94 n GLN 461 Cb 0.72 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 2h94 n GLN 461 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2h94 h TYR 462 N 0.00 0.00 -0.32 1.08 3.20 -1.13 -2.64 116.97 117.17 2h94 h TYR 462 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2h94 h TYR 462 Cb 0.06 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2h94 h TYR 462 CO 0.00 0.35 0.18 -0.22 -1.64 0.00 0.00 178.16 176.83 2h94 h LYS 463 N -1.00 0.45 0.00 1.82 3.64 -1.31 -0.15 116.57 120.02 2h94 h LYS 463 Ca -0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2h94 h LYS 463 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2h94 h LYS 463 CO -0.00 0.38 -0.37 0.93 -2.27 0.00 0.00 179.45 178.12 2h94 h GLU 464 N 0.40 0.00 -0.54 1.90 5.08 -1.40 -3.20 114.58 116.81 2h94 h GLU 464 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2h94 h GLU 464 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2h94 h GLU 464 CO -0.02 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 2h94 n ALA 465 N -2.19 2.29 -0.60 3.43 0.00 -0.99 -5.07 120.51 117.37 2h94 n ALA 465 Ca 0.02 -1.21 -0.37 0.00 0.00 0.00 0.00 53.44 51.88 2h94 n ALA 465 Cb 0.67 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 2h94 n ALA 465 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h94 n SER 466 N 1.12 0.68 0.00 0.00 3.41 -0.07 -4.66 113.62 114.10 2h94 n SER 466 Ca 0.18 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2h94 n SER 466 Cb 0.53 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2h94 n SER 466 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2h94 n THR 475 N 6.49 0.00 -0.85 6.66 -1.04 -1.26 -4.81 114.28 119.47 2h94 n THR 475 Ca 0.39 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.48 2h94 n THR 475 Cb 0.40 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.10 2h94 n THR 475 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2h94 n ALA 476 N 0.00 2.63 -1.16 2.41 0.00 -1.26 -3.52 120.51 119.61 2h94 n ALA 476 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.27 2h94 n ALA 476 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2h94 n ALA 476 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2h94 n GLU 477 N -0.64 0.00 -0.00 0.00 0.28 -1.26 -4.47 120.64 114.54 2h94 n GLU 477 Ca 0.17 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 2h94 n GLU 477 Cb 0.73 0.00 0.70 0.00 1.43 0.00 0.00 31.44 34.29 2h94 n GLU 477 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2h94 n PHE 478 N 0.00 0.01 -0.08 -1.84 7.35 -1.26 -3.66 117.46 117.98 2h94 n PHE 478 Ca 0.00 -0.01 -0.10 0.00 -0.76 0.00 0.00 57.45 56.58 2h94 n PHE 478 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2h94 n PHE 478 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2h94 h LEU 479 N 0.20 0.00 -1.84 -2.13 5.85 -1.84 -3.20 115.31 112.36 2h94 h LEU 479 Ca 0.00 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2h94 h LEU 479 Cb 0.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2h94 h LEU 479 CO 0.00 0.96 -0.14 0.58 -0.34 0.00 0.00 178.44 179.50 2h94 h VAL 480 N -1.00 0.76 0.00 1.05 2.07 -1.67 0.68 116.25 118.14 2h94 h VAL 480 Ca -0.11 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2h94 h VAL 480 Cb 0.72 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2h94 h VAL 480 CO -0.06 0.14 -0.14 0.50 0.02 0.00 0.00 177.57 178.02 2h94 h LYS 481 N 0.00 0.00 0.02 1.57 1.63 -1.70 -3.21 116.57 114.88 2h94 h LYS 481 Ca -0.00 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.41 2h94 h LYS 481 Cb 0.33 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 2h94 h LYS 481 CO 0.02 0.14 -2.35 -1.13 -3.45 0.00 0.00 179.45 172.68 2h94 n SER 482 N -3.46 2.00 -0.26 4.20 3.41 0.08 -3.50 113.62 116.09 2h94 n SER 482 Ca -0.01 0.01 0.33 0.00 -0.26 0.00 0.00 58.87 58.94 2h94 n SER 482 Cb 0.31 -0.57 0.74 0.00 -0.26 0.00 0.00 64.21 64.43 2h94 n SER 482 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2h94 h LYS 483 N -0.16 0.00 0.23 4.33 1.79 -1.18 1.23 116.57 122.81 2h94 h LYS 483 Ca -0.56 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.59 2h94 h LYS 483 Cb 1.87 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 32.55 2h94 h LYS 483 CO -0.11 0.00 -1.43 1.25 -1.08 0.00 0.00 179.45 178.09 2h94 h HIS 484 N 0.00 0.89 -0.30 -1.35 2.76 -1.73 0.18 115.15 115.61 2h94 h HIS 484 Ca 0.51 -0.65 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 2h94 h HIS 484 Cb 2.07 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.97 2h94 h HIS 484 CO 0.00 1.51 0.13 -0.09 -1.30 0.00 0.00 177.93 178.17 2h94 h ARG 485 N 0.14 0.41 0.09 5.26 2.43 0.11 0.16 114.38 122.98 2h94 h ARG 485 Ca -0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2h94 h ARG 485 Cb 2.13 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2h94 h ARG 485 CO 0.26 0.34 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.58 2h94 h ASP 486 N 0.41 -0.11 -0.77 -3.80 3.32 0.39 -3.21 116.42 112.66 2h94 h ASP 486 Ca 0.11 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.38 2h94 h ASP 486 Cb 0.08 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2h94 h ASP 486 CO -0.01 0.00 0.97 0.25 -1.72 0.00 0.00 179.24 178.73 2h94 h LEU 487 N -0.29 0.00 0.05 1.55 5.85 -0.52 0.35 115.31 122.30 2h94 h LEU 487 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2h94 h LEU 487 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2h94 h LEU 487 CO 0.02 0.00 -0.02 0.74 -0.34 0.00 0.00 178.44 178.84 2h94 h THR 488 N 0.00 0.00 -0.97 1.05 2.02 -0.98 -1.38 112.91 112.64 2h94 h THR 488 Ca 0.37 -0.01 0.18 0.00 0.77 0.00 0.00 66.41 67.71 2h94 h THR 488 Cb 2.31 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.54 2h94 h THR 488 CO -0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.58 2h94 n ALA 489 N -2.05 0.08 -0.06 6.16 0.00 0.08 0.70 120.51 125.42 2h94 n ALA 489 Ca -0.01 1.03 -0.10 0.00 0.00 0.00 0.00 53.44 54.35 2h94 n ALA 489 Cb 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 2h94 n ALA 489 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h94 h LEU 490 N 0.00 0.30 -1.07 0.00 3.38 -1.53 0.33 115.31 116.72 2h94 h LEU 490 Ca 0.41 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2h94 h LEU 490 Cb 0.65 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2h94 h LEU 490 CO -0.99 0.37 -0.24 0.00 0.09 0.00 0.00 178.44 177.67 2h94 h LYS 492 N 0.34 0.00 0.00 0.00 3.11 0.66 -2.91 116.57 117.76 2h94 h LYS 492 Ca 0.05 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.79 2h94 h LYS 492 Cb 0.61 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 2h94 h LYS 492 CO 0.04 0.70 -0.64 1.05 -2.81 0.00 0.00 179.45 177.79 2h94 h GLU 493 N 0.00 0.00 0.00 1.90 4.11 -0.13 -2.90 114.58 117.56 2h94 h GLU 493 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2h94 h GLU 493 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2h94 h GLU 493 CO 0.09 0.43 0.00 0.98 0.07 0.00 0.00 179.01 180.58 2h94 n TYR 494 N -3.15 0.00 -0.09 2.06 9.36 -0.62 -2.42 117.16 122.30 2h94 n TYR 494 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 2h94 n TYR 494 Cb 0.74 -0.06 -0.12 0.00 -0.63 0.00 0.00 39.34 39.27 2h94 n TYR 494 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2h94 h ASP 495 N 0.00 0.00 -0.91 2.98 3.58 -1.52 -3.10 116.42 117.45 2h94 h ASP 495 Ca 0.00 -0.64 0.12 0.00 0.42 0.00 0.00 57.03 56.93 2h94 h ASP 495 Cb 0.03 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 40.99 2h94 h ASP 495 CO 0.00 1.32 0.54 -0.33 -2.88 0.00 0.00 179.24 177.89 2h94 h GLU 496 N -1.00 0.82 0.73 0.28 3.07 -1.63 0.39 114.58 117.24 2h94 h GLU 496 Ca -0.24 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 2h94 h GLU 496 Cb 1.19 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.92 2h94 h GLU 496 CO -0.14 0.54 -0.35 -0.07 -1.40 0.00 0.00 179.01 177.59 2h94 h LEU 497 N 0.84 -0.83 -2.65 1.33 4.07 -1.70 0.47 115.31 116.85 2h94 h LEU 497 Ca 0.46 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.46 2h94 h LEU 497 Cb 0.51 0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 2h94 h LEU 497 CO -0.29 -0.59 0.10 0.00 -1.08 0.00 0.00 178.44 176.59 2h94 h ALA 498 N -1.53 1.19 0.19 1.53 0.00 -1.37 0.50 119.26 119.76 2h94 h ALA 498 Ca -0.10 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2h94 h ALA 498 Cb 0.75 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2h94 h ALA 498 CO 0.16 -0.11 -1.61 1.49 0.00 0.00 0.00 179.25 179.19 2h94 h GLU 499 N 0.00 0.41 -0.20 0.00 4.81 0.21 -3.11 114.58 116.70 2h94 h GLU 499 Ca 0.01 -0.70 -0.09 0.00 -0.13 0.00 0.00 59.36 58.45 2h94 h GLU 499 Cb 0.21 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2h94 h GLU 499 CO -0.00 1.33 -0.25 1.15 -0.73 0.00 0.00 179.01 180.52 2h94 h THR 500 N 0.04 1.33 -0.59 0.32 2.02 0.12 -2.52 112.91 113.64 2h94 h THR 500 Ca -0.31 -1.44 0.11 0.00 0.77 0.00 0.00 66.41 65.54 2h94 h THR 500 Cb 2.05 1.80 -0.11 0.00 -1.74 0.00 0.00 68.15 70.15 2h94 h THR 500 CO 0.18 0.44 -0.32 -0.61 0.37 0.00 0.00 175.52 175.59 2h94 h GLN 501 N 0.19 -0.15 0.37 6.66 4.15 -0.18 0.64 115.11 126.79 2h94 h GLN 501 Ca 0.03 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2h94 h GLN 501 Cb 0.81 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 2h94 h GLN 501 CO 0.06 -0.10 -0.25 0.78 -1.93 0.00 0.00 178.83 177.39 2h94 h GLY 502 N -0.15 -0.87 -0.85 2.39 0.00 -1.53 1.77 103.07 103.83 2h94 h GLY 502 Ca 0.24 0.37 0.09 0.00 0.00 0.00 0.00 47.33 48.03 2h94 h GLY 502 CO -0.67 -0.30 -0.46 1.17 0.00 0.00 0.00 176.54 176.28 2h94 n LYS 503 N -3.89 -0.33 0.25 4.80 4.81 -0.66 0.27 118.16 123.40 2h94 n LYS 503 Ca -0.07 1.29 -0.14 0.00 -0.87 0.00 0.00 58.31 58.52 2h94 n LYS 503 Cb 0.25 -1.90 -0.07 0.00 0.02 0.00 0.00 35.03 33.33 2h94 n LYS 503 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2h94 h LEU 504 N 0.00 -0.55 -1.47 3.14 3.38 0.41 -1.93 115.31 118.28 2h94 h LEU 504 Ca 0.17 -0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.23 2h94 h LEU 504 Cb 0.39 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2h94 h LEU 504 CO -0.81 -0.19 0.78 -0.08 0.09 0.00 0.00 178.44 178.23 2h94 h GLU 505 N -0.96 0.00 0.00 1.13 4.57 0.41 0.38 114.58 120.10 2h94 h GLU 505 Ca -0.07 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.79 2h94 h GLU 505 Cb 0.59 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.13 2h94 h GLU 505 CO 0.11 0.00 -1.98 0.39 -1.18 0.00 0.00 179.01 176.34 2h94 n GLU 506 N -3.34 0.66 0.25 1.92 1.02 0.14 -3.85 120.64 117.44 2h94 n GLU 506 Ca 0.12 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2h94 n GLU 506 Cb 0.98 -1.68 0.59 0.00 -0.02 0.00 0.00 31.44 31.31 2h94 n GLU 506 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2h94 h LYS 507 N 0.00 0.00 0.00 3.49 3.11 0.48 -0.39 116.57 123.26 2h94 h LYS 507 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2h94 h LYS 507 Cb 2.10 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.33 2h94 h LYS 507 CO 0.06 0.13 0.00 -0.11 -2.81 0.00 0.00 179.45 176.71 2h94 n LEU 508 N -3.30 0.00 -0.08 5.20 7.94 -0.24 -1.20 117.00 125.32 2h94 n LEU 508 Ca 0.00 0.44 -0.06 0.00 -1.11 0.00 0.00 56.01 55.29 2h94 n LEU 508 Cb 0.36 -0.44 -0.16 0.00 0.53 0.00 0.00 43.42 43.70 2h94 n LEU 508 CO 0.30 -0.30 -1.07 1.67 -1.11 0.00 0.00 177.39 176.89 2h94 n GLN 509 N -1.44 0.73 0.00 1.96 -0.06 -0.16 -3.05 117.38 115.35 2h94 n GLN 509 Ca 0.03 -0.05 0.06 0.00 -2.00 0.00 0.00 57.00 55.04 2h94 n GLN 509 Cb 0.10 -1.51 0.32 0.00 -4.06 0.00 0.00 30.24 25.09 2h94 n GLN 509 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2h94 n GLU 510 N -2.63 0.24 -0.02 3.69 2.13 -0.34 -1.20 120.64 122.51 2h94 n GLU 510 Ca -0.27 0.12 -0.03 0.00 0.66 0.00 0.00 57.16 57.64 2h94 n GLU 510 Cb 1.03 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.23 2h94 n GLU 510 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2h94 n LEU 511 N -1.19 1.08 0.05 4.31 4.77 -1.17 -4.24 117.00 120.61 2h94 n LEU 511 Ca 0.07 0.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.25 2h94 n LEU 511 Cb 0.08 -0.46 0.17 0.00 -2.33 0.00 0.00 43.42 40.87 2h94 n LEU 511 CO 0.08 -0.50 0.60 -0.62 -1.33 0.00 0.00 177.39 175.62 2h94 n GLU 512 N -3.55 0.04 -0.00 3.23 1.02 -1.17 -1.27 120.64 118.94 2h94 n GLU 512 Ca -0.05 0.53 0.11 0.00 -0.02 0.00 0.00 57.16 57.72 2h94 n GLU 512 Cb 0.19 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 2h94 n GLU 512 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h94 n ALA 513 N -1.56 3.61 -3.29 0.62 0.00 -0.34 -4.69 120.51 114.85 2h94 n ALA 513 Ca -0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 2h94 n ALA 513 Cb 0.03 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 2h94 n ALA 513 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2h94 n ASN 514 N -1.95 0.85 -4.72 0.00 3.02 -0.40 -5.06 115.26 107.00 2h94 n ASN 514 Ca -0.00 -2.80 -0.31 0.00 -0.03 0.00 0.00 54.58 51.43 2h94 n ASN 514 Cb 0.47 -0.64 0.13 0.00 -0.61 0.00 0.00 39.78 39.13 2h94 n ASN 514 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2h94 s PRO 515 N -1.25 1.66 0.63 3.52 0.02 -1.25 -4.87 135.00 133.46 2h94 s PRO 515 Ca 0.35 1.29 -0.03 0.00 0.02 0.00 0.00 61.00 62.64 2h94 s PRO 515 Cb 0.14 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.89 2h94 s PRO 515 CO -0.11 -2.10 0.89 -1.25 -0.33 0.00 0.00 177.00 174.11 2h94 s PRO 516 N -4.80 2.35 0.16 5.54 0.04 -1.26 -4.98 135.00 132.06 2h94 s PRO 516 Ca 0.64 -0.54 -0.34 0.00 0.04 0.00 0.00 61.00 60.80 2h94 s PRO 516 Cb -0.19 -2.33 -0.15 0.00 0.04 0.00 0.00 34.50 31.87 2h94 s PRO 516 CO 0.57 -0.98 1.44 0.45 0.04 0.00 0.00 177.00 178.51 2h94 n SER 517 N -2.63 2.49 0.01 6.66 2.88 -1.26 -4.87 113.62 116.91 2h94 n SER 517 Ca 0.08 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 2h94 n SER 517 Cb 0.60 -1.35 0.29 0.00 -0.75 0.00 0.00 64.21 63.00 2h94 n SER 517 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2h94 n ASP 518 N 2.75 0.47 -3.70 -3.46 5.75 -1.26 -4.86 116.55 112.25 2h94 n ASP 518 Ca 0.16 -0.06 -0.14 0.00 -0.01 0.00 0.00 54.79 54.74 2h94 n ASP 518 Cb 0.27 0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.38 2h94 n ASP 518 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2h94 s VAL 519 N -3.03 0.01 0.07 2.12 1.01 -1.26 -4.96 120.40 114.36 2h94 s VAL 519 Ca 0.10 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 2h94 s VAL 519 Cb 0.17 -0.70 -0.18 0.00 0.00 0.00 0.00 36.38 35.66 2h94 s VAL 519 CO 0.68 -0.03 1.64 0.22 0.00 0.00 0.00 175.10 177.60 2h94 h TYR 520 N 4.98 -0.76 -3.90 5.22 3.20 -1.90 -3.44 116.97 120.37 2h94 h TYR 520 Ca -0.28 -0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.27 2h94 h TYR 520 Cb 1.17 0.25 -0.28 0.00 1.54 0.00 0.00 36.73 39.42 2h94 h TYR 520 CO 0.41 -0.47 -0.75 -0.51 -1.64 0.00 0.00 178.16 175.20 2h94 s LEU 521 N -10.08 2.03 0.65 2.82 1.43 -1.26 -5.10 118.68 109.18 2h94 s LEU 521 Ca -0.17 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2h94 s LEU 521 Cb 0.04 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 2h94 s LEU 521 CO 0.62 0.03 1.07 -0.94 0.23 0.00 0.00 176.35 177.37 2h94 s SER 522 N -0.26 5.43 0.39 2.29 1.04 -1.26 -4.77 113.70 116.56 2h94 s SER 522 Ca 0.01 1.82 0.14 0.00 0.48 0.00 0.00 55.95 58.39 2h94 s SER 522 Cb -0.03 -2.53 0.98 0.00 0.10 0.00 0.00 66.02 64.55 2h94 s SER 522 CO -0.00 -1.41 1.86 0.77 0.98 0.00 0.00 173.24 175.44 2h94 h SER 523 N -0.05 0.50 -0.47 7.02 4.64 -2.01 0.34 113.55 123.52 2h94 h SER 523 Ca -0.46 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 2h94 h SER 523 Cb 1.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2h94 h SER 523 CO 0.56 0.22 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.46 2h94 h ARG 524 N 0.51 0.97 0.78 4.77 2.43 -2.00 -3.00 114.38 118.83 2h94 h ARG 524 Ca 0.46 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2h94 h ARG 524 Cb 0.98 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2h94 h ARG 524 CO -0.19 1.08 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.49 2h94 h ASP 525 N 0.82 -1.01 -0.75 -3.80 5.19 -0.72 -2.75 116.42 113.40 2h94 h ASP 525 Ca 0.11 0.05 0.17 0.00 -0.62 0.00 0.00 57.03 56.74 2h94 h ASP 525 Cb 0.77 0.28 -0.13 0.00 0.18 0.00 0.00 39.33 40.43 2h94 h ASP 525 CO 0.06 -0.67 0.05 -0.09 -3.12 0.00 0.00 179.24 175.47 2h94 h ARG 526 N -1.10 0.13 -0.94 3.56 9.65 -1.25 0.37 114.38 124.80 2h94 h ARG 526 Ca -0.10 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.87 2h94 h ARG 526 Cb 0.86 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 29.33 2h94 h ARG 526 CO 0.15 0.09 0.58 1.96 2.80 0.00 0.00 179.97 185.54 2h94 h GLN 527 N 0.13 0.92 -0.24 0.20 4.20 -1.45 2.00 115.11 120.89 2h94 h GLN 527 Ca 0.42 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.91 2h94 h GLN 527 Cb 0.74 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2h94 h GLN 527 CO -0.63 0.61 -0.51 0.82 -0.67 0.00 0.00 178.83 178.45 2h94 h ILE 528 N 0.95 1.30 -0.33 2.54 2.04 -0.20 -2.48 117.51 121.33 2h94 h ILE 528 Ca 0.45 -1.72 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 2h94 h ILE 528 Cb 0.40 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2h94 h ILE 528 CO -0.25 0.55 -0.01 0.25 0.00 0.00 0.00 178.15 178.69 2h94 h LEU 529 N 0.52 0.59 -1.21 1.44 6.46 0.23 -2.74 115.31 120.60 2h94 h LEU 529 Ca 0.02 -0.32 0.15 0.00 -0.12 0.00 0.00 57.88 57.61 2h94 h LEU 529 Cb 1.06 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 2h94 h LEU 529 CO 0.10 0.77 0.59 0.44 -0.62 0.00 0.00 178.44 179.72 2h94 h ASP 530 N 0.40 0.71 -0.92 1.25 3.32 0.32 0.34 116.42 121.84 2h94 h ASP 530 Ca 0.09 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.27 2h94 h ASP 530 Cb 0.47 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 2h94 h ASP 530 CO 0.02 0.35 0.60 -0.25 -1.72 0.00 0.00 179.24 178.23 2h94 h TRP 531 N 0.75 1.04 -0.30 4.55 7.01 -1.14 0.52 115.95 128.38 2h94 h TRP 531 Ca 0.48 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.41 2h94 h TRP 531 Cb 0.72 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2h94 h TRP 531 CO -0.00 0.51 -0.21 0.45 -2.79 0.00 0.00 178.44 176.40 2h94 h HIS 532 N 0.99 0.62 0.21 2.65 3.86 -0.26 0.73 115.15 123.95 2h94 h HIS 532 Ca 0.41 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 2h94 h HIS 532 Cb 0.29 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2h94 h HIS 532 CO -0.00 0.73 -0.10 0.74 0.86 0.00 0.00 177.93 180.15 2h94 h PHE 533 N 0.50 -0.27 -1.00 2.45 0.05 -0.23 -2.75 116.94 115.68 2h94 h PHE 533 Ca 0.08 -0.01 0.21 0.00 3.82 0.00 0.00 57.97 62.07 2h94 h PHE 533 Cb 0.64 0.09 -0.11 0.00 2.00 0.00 0.00 35.95 38.57 2h94 h PHE 533 CO 0.02 0.09 0.61 0.00 -0.18 0.00 0.00 178.31 178.86 2h94 h ALA 534 N -0.02 1.81 0.00 2.45 0.00 0.17 0.51 119.26 124.17 2h94 h ALA 534 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2h94 h ALA 534 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2h94 h ALA 534 CO 0.05 -0.20 -0.10 -0.97 0.00 0.00 0.00 179.25 178.03 2h94 h ASN 535 N 0.66 0.00 0.18 0.00 -1.24 -0.57 0.32 115.58 114.92 2h94 h ASN 535 Ca 0.59 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 57.31 2h94 h ASN 535 Cb 1.06 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.13 2h94 h ASN 535 CO -0.38 0.10 -1.35 0.25 -1.29 0.00 0.00 177.43 174.76 2h94 h LEU 536 N 0.00 0.60 -1.32 0.34 5.85 0.14 -2.91 115.31 118.00 2h94 h LEU 536 Ca -0.00 -0.92 0.02 0.00 0.84 0.00 0.00 57.88 57.82 2h94 h LEU 536 Cb 0.33 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2h94 h LEU 536 CO 0.01 1.63 0.46 -0.33 -0.34 0.00 0.00 178.44 179.87 2h94 h GLU 537 N -0.10 0.89 -0.49 1.25 5.08 -0.20 -0.17 114.58 120.84 2h94 h GLU 537 Ca -0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2h94 h GLU 537 Cb 1.93 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 2h94 h GLU 537 CO 0.17 0.59 0.23 0.35 -1.00 0.00 0.00 179.01 179.36 2h94 h PHE 538 N 0.92 0.71 0.63 4.33 3.57 -0.41 0.23 116.94 126.91 2h94 h PHE 538 Ca 0.26 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2h94 h PHE 538 Cb -0.06 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.47 2h94 h PHE 538 CO -0.00 0.56 -0.30 0.00 -2.23 0.00 0.00 178.31 176.34 2h94 h ALA 539 N 1.07 -1.06 0.00 2.41 0.00 -1.04 -3.06 119.26 117.59 2h94 h ALA 539 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2h94 h ALA 539 Cb 0.12 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2h94 h ALA 539 CO -0.02 -1.00 0.00 0.09 0.00 0.00 0.00 179.25 178.32 2h94 n ASN 540 N -4.59 0.00 -3.76 0.00 3.02 -0.19 -4.88 115.26 104.85 2h94 n ASN 540 Ca -0.10 -0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 2h94 n ASN 540 Cb 0.33 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2h94 n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h94 n ALA 541 N -1.05 -1.17 -3.52 5.41 0.00 0.78 -4.78 120.51 116.18 2h94 n ALA 541 Ca 0.11 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 2h94 n ALA 541 Cb 0.07 -3.50 -0.05 0.00 0.00 0.00 0.00 19.45 15.97 2h94 n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2h94 s THR 542 N -3.14 0.00 0.51 0.00 -1.32 -1.01 -0.69 115.64 109.99 2h94 s THR 542 Ca 0.58 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.83 2h94 s THR 542 Cb -0.30 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.62 2h94 s THR 542 CO 0.71 0.00 1.32 -2.65 -2.21 0.00 0.00 174.62 171.79 2h94 n PRO 543 N 0.61 1.77 0.32 7.08 -0.02 -1.26 -4.51 135.00 138.99 2h94 n PRO 543 Ca -0.15 0.64 0.20 0.00 -2.02 0.00 0.00 63.50 62.17 2h94 n PRO 543 Cb 0.59 -2.50 1.08 0.00 -0.02 0.00 0.00 33.50 32.64 2h94 n PRO 543 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2h94 h LEU 544 N 1.63 0.00 -0.63 2.45 4.07 -1.94 -0.84 115.31 120.05 2h94 h LEU 544 Ca -0.50 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.34 2h94 h LEU 544 Cb 1.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 2h94 h LEU 544 CO 0.58 0.00 -0.20 -1.28 -1.08 0.00 0.00 178.44 176.45 2h94 h SER 545 N 0.00 0.88 0.57 -0.43 0.87 -1.91 0.13 113.55 113.65 2h94 h SER 545 Ca 0.00 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2h94 h SER 545 Cb 0.14 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2h94 h SER 545 CO 0.00 1.05 -0.16 0.74 -0.53 0.00 0.00 176.83 177.94 2h94 h THR 546 N 0.75 0.55 -3.96 2.23 2.02 -1.49 -3.41 112.91 109.59 2h94 h THR 546 Ca 0.10 -0.74 -0.50 0.00 0.77 0.00 0.00 66.41 66.04 2h94 h THR 546 Cb 0.74 1.49 0.05 0.00 -1.74 0.00 0.00 68.15 68.69 2h94 h THR 546 CO 0.06 0.15 0.47 -0.76 0.37 0.00 0.00 175.52 175.81 2h94 s LEU 547 N -7.06 4.13 -0.41 2.58 1.43 -1.16 -2.39 118.68 115.80 2h94 s LEU 547 Ca -0.02 2.25 -0.29 0.00 -1.03 0.00 0.00 54.13 55.04 2h94 s LEU 547 Cb 0.12 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.23 2h94 s LEU 547 CO 0.60 -0.69 1.21 -0.55 0.23 0.00 0.00 176.35 177.15 2h94 s SER 548 N -1.32 6.63 0.35 2.29 0.15 -0.78 -0.86 113.70 120.17 2h94 s SER 548 Ca 0.59 0.76 0.16 0.00 0.70 0.00 0.00 55.95 58.15 2h94 s SER 548 Cb -0.28 -2.55 1.09 0.00 -1.71 0.00 0.00 66.02 62.58 2h94 s SER 548 CO 0.34 -1.20 1.68 0.25 1.20 0.00 0.00 173.24 175.52 2h94 h LEU 549 N 11.18 0.51 0.11 3.45 5.85 -1.34 -2.48 115.31 132.60 2h94 h LEU 549 Ca -0.24 0.16 -0.29 0.00 0.84 0.00 0.00 57.88 58.36 2h94 h LEU 549 Cb 1.08 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2h94 h LEU 549 CO 1.09 -0.07 -1.39 0.50 -0.34 0.00 0.00 178.44 178.22 2h94 h LYS 550 N 0.35 0.24 -0.01 1.25 3.64 -1.91 -3.42 116.57 116.72 2h94 h LYS 550 Ca 0.71 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2h94 h LYS 550 Cb 1.67 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2h94 h LYS 550 CO -0.53 1.14 -0.02 0.72 -2.27 0.00 0.00 179.45 178.49 2h94 n HIS 551 N -3.47 0.00 0.16 1.91 8.25 -0.98 -4.65 115.22 116.44 2h94 n HIS 551 Ca -0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.43 2h94 n HIS 551 Cb 1.03 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.64 2h94 n HIS 551 CO 0.00 0.00 0.00 -2.67 0.64 0.00 0.00 176.34 174.31 2h94 n TRP 552 N 0.31 0.63 -0.06 4.41 4.27 -0.97 -1.60 117.44 124.44 2h94 n TRP 552 Ca 0.04 0.32 -0.16 0.00 -3.89 0.00 0.00 57.50 53.81 2h94 n TRP 552 Cb 0.18 -1.02 -0.14 0.00 -1.36 0.00 0.00 31.31 28.98 2h94 n TRP 552 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 2h94 n ASP 553 N -2.15 1.52 0.00 -0.67 10.43 -1.26 -4.74 116.55 119.69 2h94 n ASP 553 Ca -0.01 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.46 2h94 n ASP 553 Cb 0.05 -0.29 0.00 0.00 1.84 0.00 0.00 41.12 42.71 2h94 n ASP 553 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2h94 n GLN 554 N -3.22 0.00 0.02 -1.24 -0.00 -0.63 0.12 117.38 112.43 2h94 n GLN 554 Ca -0.33 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 56.79 2h94 n GLN 554 Cb 1.05 0.00 0.35 0.00 -0.00 0.00 0.00 30.24 31.64 2h94 n GLN 554 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2h94 n ASP 555 N -1.73 0.41 -0.32 2.61 5.75 -1.26 -4.33 116.55 117.67 2h94 n ASP 555 Ca 0.00 0.08 0.29 0.00 -0.01 0.00 0.00 54.79 55.15 2h94 n ASP 555 Cb 0.00 -0.04 0.63 0.00 -1.03 0.00 0.00 41.12 40.67 2h94 n ASP 555 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2h94 h ASP 556 N 0.00 0.23 0.00 -1.12 5.19 0.59 -1.79 116.42 119.52 2h94 h ASP 556 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2h94 h ASP 556 Cb 0.56 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2h94 h ASP 556 CO 0.00 0.03 0.00 0.47 -3.12 0.00 0.00 179.24 176.62 2h94 n ASP 557 N -4.43 0.00 0.00 6.45 9.92 -1.26 -2.31 116.55 124.92 2h94 n ASP 557 Ca 0.26 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2h94 n ASP 557 Cb 1.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 2h94 n ASP 557 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2h94 n PHE 558 N -0.99 0.00 -1.67 1.24 3.01 -0.67 -5.06 117.46 113.32 2h94 n PHE 558 Ca 0.04 -0.18 -0.41 0.00 1.01 0.00 0.00 57.45 57.91 2h94 n PHE 558 Cb 0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 2h94 n PHE 558 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2h94 n GLU 559 N -0.18 1.73 -1.44 -1.08 1.02 -0.98 -4.96 120.64 114.76 2h94 n GLU 559 Ca 0.00 0.62 -0.29 0.00 -0.02 0.00 0.00 57.16 57.47 2h94 n GLU 559 Cb 0.20 -2.26 0.14 0.00 -0.02 0.00 0.00 31.44 29.50 2h94 n GLU 559 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2h94 s PHE 560 N -1.21 2.45 0.07 -0.32 2.99 -1.26 -5.06 117.98 115.64 2h94 s PHE 560 Ca 0.61 0.93 0.03 0.00 0.00 0.00 0.00 56.93 58.51 2h94 s PHE 560 Cb -0.53 -3.32 -0.04 0.00 0.00 0.00 0.00 43.02 39.13 2h94 s PHE 560 CO 0.58 -2.41 0.04 0.95 -0.00 0.00 0.00 175.22 174.38 2h94 s THR 561 N -3.18 4.32 0.00 0.64 -4.23 -1.20 -4.84 115.64 107.15 2h94 s THR 561 Ca 0.64 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2h94 s THR 561 Cb -0.16 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2h94 s THR 561 CO 0.54 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 2h94 n GLY 562 N 0.63 2.75 3.83 3.99 0.00 -1.26 -0.94 105.19 114.20 2h94 n GLY 562 Ca -0.10 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 2h94 n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h94 s SER 563 N 0.00 6.34 0.38 1.61 1.04 -1.26 -4.19 113.70 117.62 2h94 s SER 563 Ca 0.00 1.63 -0.26 0.00 0.48 0.00 0.00 55.95 57.80 2h94 s SER 563 Cb 0.00 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 2h94 s SER 563 CO 0.00 -0.79 1.19 -1.00 0.98 0.00 0.00 173.24 173.62 2h94 s HIS 564 N -2.63 3.09 0.23 5.02 0.09 -1.26 -3.72 115.29 116.10 2h94 s HIS 564 Ca 0.60 1.54 0.09 0.00 -0.00 0.00 0.00 55.06 57.28 2h94 s HIS 564 Cb -0.12 -3.44 -0.05 0.00 -0.00 0.00 0.00 32.58 28.97 2h94 s HIS 564 CO 0.35 -1.39 -0.15 -0.51 -0.00 0.00 0.00 174.74 173.04 2h94 s LEU 565 N -2.32 2.56 0.06 0.89 1.43 -0.82 -2.86 118.68 117.63 2h94 s LEU 565 Ca 0.55 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2h94 s LEU 565 Cb -0.32 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2h94 s LEU 565 CO 0.41 -0.13 -0.06 -0.89 0.23 0.00 0.00 176.35 175.92 2h94 s THR 566 N -2.86 3.69 -0.15 5.49 2.01 0.87 -0.23 115.64 124.46 2h94 s THR 566 Ca 0.25 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 2h94 s THR 566 Cb -0.01 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2h94 s THR 566 CO 0.09 0.23 0.59 -0.69 -0.69 0.00 0.00 174.62 174.15 2h94 s VAL 567 N -1.16 5.08 0.07 3.82 1.01 -1.20 -1.00 120.40 127.03 2h94 s VAL 567 Ca 0.21 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.43 2h94 s VAL 567 Cb -0.11 -3.92 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2h94 s VAL 567 CO 0.13 0.21 1.23 0.03 0.00 0.00 0.00 175.10 176.69 2h94 h ARG 568 N 7.12 0.00 -0.56 2.72 2.47 -1.57 -3.35 114.38 121.20 2h94 h ARG 568 Ca -0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2h94 h ARG 568 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2h94 h ARG 568 CO 0.76 0.88 0.00 0.27 0.56 0.00 0.00 179.97 182.45 2h94 n ASN 569 N -3.30 3.97 -0.01 7.04 6.94 -1.26 -4.92 115.26 123.71 2h94 n ASN 569 Ca -0.02 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 2h94 n ASN 569 Cb 0.93 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 2h94 n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2h94 n GLY 570 N 0.99 0.92 0.27 4.83 0.00 -1.26 -4.83 105.19 106.12 2h94 n GLY 570 Ca 0.21 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 45.08 2h94 n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2h94 h TYR 571 N 0.00 0.00 0.00 1.61 5.03 -1.86 -2.89 116.97 118.86 2h94 h TYR 571 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2h94 h TYR 571 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2h94 h TYR 571 CO 0.00 0.09 0.16 -1.13 -1.32 0.00 0.00 178.16 175.96 2h94 n SER 572 N -3.59 0.29 0.02 -2.11 3.41 -1.26 -2.17 113.62 108.21 2h94 n SER 572 Ca -0.02 0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 2h94 n SER 572 Cb 0.22 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 2h94 n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h94 h VAL 574 N -0.30 0.00 -0.29 0.00 2.07 -1.72 0.19 116.25 116.20 2h94 h VAL 574 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2h94 h VAL 574 Cb 0.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2h94 h VAL 574 CO -0.27 0.00 0.17 1.55 0.02 0.00 0.00 177.57 179.04 2h94 h PRO 575 N -0.59 0.34 -0.02 1.57 0.13 -1.74 0.13 132.00 131.82 2h94 h PRO 575 Ca 0.00 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2h94 h PRO 575 Cb 0.62 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2h94 h PRO 575 CO -0.28 0.22 -0.09 0.28 -0.23 0.00 0.00 178.00 177.91 2h94 h VAL 576 N 0.35 0.76 -0.37 1.56 2.07 -1.37 -1.29 116.25 117.95 2h94 h VAL 576 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2h94 h VAL 576 Cb 0.00 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 2h94 h VAL 576 CO -0.06 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.42 2h94 h ALA 577 N 0.85 0.22 0.00 1.67 0.00 -0.66 -0.98 119.26 120.35 2h94 h ALA 577 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2h94 h ALA 577 Cb 0.20 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2h94 h ALA 577 CO -0.11 -0.48 0.00 -0.07 0.00 0.00 0.00 179.25 178.60 2h94 h LEU 578 N -0.03 0.00 -0.70 0.00 3.38 -0.25 -2.44 115.31 115.27 2h94 h LEU 578 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2h94 h LEU 578 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2h94 h LEU 578 CO -0.40 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 177.88 2h94 n ALA 579 N -2.06 3.08 0.00 1.53 0.00 -0.39 -4.56 120.51 118.11 2h94 n ALA 579 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2h94 n ALA 579 Cb 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2h94 n ALA 579 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2h94 n GLU 580 N -0.35 0.00 0.00 0.00 -0.00 -0.92 -3.12 120.64 116.25 2h94 n GLU 580 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 2h94 n GLU 580 Cb 0.38 -1.22 0.00 0.00 -0.00 0.00 0.00 31.44 30.60 2h94 n GLU 580 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2h94 n GLY 581 N -0.59 1.00 3.93 -1.84 0.00 -1.26 -5.13 105.19 101.30 2h94 n GLY 581 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2h94 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h94 s LEU 582 N 0.00 3.79 -0.56 0.99 1.02 -1.18 -5.06 118.68 117.68 2h94 s LEU 582 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 54.13 53.63 2h94 s LEU 582 Cb 0.00 -2.50 0.10 0.00 0.02 0.00 0.00 46.19 43.81 2h94 s LEU 582 CO 0.00 -0.41 0.63 1.51 0.02 0.00 0.00 176.35 178.11 2h94 s ASP 583 N -4.10 6.19 -0.33 2.29 -4.77 -1.26 -5.01 116.67 109.68 2h94 s ASP 583 Ca 0.43 -1.38 -0.14 0.00 -3.30 0.00 0.00 52.55 48.16 2h94 s ASP 583 Cb -0.08 -2.28 -0.02 0.00 -1.09 0.00 0.00 42.92 39.46 2h94 s ASP 583 CO 0.29 -1.00 0.32 -0.63 0.70 0.00 0.00 175.17 174.86 2h94 s ILE 584 N 2.42 5.21 -1.07 2.11 1.01 -1.26 -2.71 121.20 126.91 2h94 s ILE 584 Ca 0.10 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2h94 s ILE 584 Cb -0.24 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.55 2h94 s ILE 584 CO 0.07 -0.02 1.44 -0.75 0.00 0.00 0.00 174.94 175.67 2h94 s LYS 585 N 1.94 3.71 0.00 2.79 2.47 0.29 -4.96 119.74 125.98 2h94 s LYS 585 Ca 0.10 -1.54 0.00 0.00 -1.56 0.00 0.00 55.97 52.98 2h94 s LYS 585 Cb -0.17 -5.28 0.00 0.00 -1.46 0.00 0.00 37.83 30.93 2h94 s LYS 585 CO 0.11 -2.09 0.00 -0.11 0.16 0.00 0.00 175.35 173.42 2h94 n LEU 586 N 8.05 0.00 0.00 5.43 7.94 -1.26 -1.70 117.00 135.46 2h94 n LEU 586 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2h94 n LEU 586 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2h94 n LEU 586 CO 0.65 -1.23 0.00 0.59 -1.11 0.00 0.00 177.39 176.29 2h94 n ASN 587 N -2.33 0.00 -4.58 1.96 3.02 -0.84 -4.60 115.26 107.88 2h94 n ASN 587 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2h94 n ASN 587 Cb 0.00 -0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 2h94 n ASN 587 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2h94 s THR 588 N 0.00 4.42 -0.31 3.41 -4.23 -0.83 -3.07 115.64 115.02 2h94 s THR 588 Ca 0.00 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2h94 s THR 588 Cb 0.00 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2h94 s THR 588 CO 0.00 0.48 0.11 0.00 -0.54 0.00 0.00 174.62 174.67 2h94 s ALA 589 N 0.32 3.11 -0.00 3.99 0.00 0.14 -1.90 121.76 127.43 2h94 s ALA 589 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 2h94 s ALA 589 Cb -0.13 -2.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 2h94 s ALA 589 CO 0.01 -1.05 1.68 0.08 0.00 0.00 0.00 175.76 176.49 2h94 s VAL 590 N 1.50 3.36 -0.23 0.00 1.01 -1.26 -1.22 120.40 123.56 2h94 s VAL 590 Ca 0.02 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2h94 s VAL 590 Cb -0.18 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2h94 s VAL 590 CO 0.03 -0.03 0.55 0.54 0.00 0.00 0.00 175.10 176.19 2h94 n ARG 591 N 6.66 -0.60 -3.65 2.72 1.74 -0.54 -4.69 116.66 118.30 2h94 n ARG 591 Ca 0.17 -0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 56.52 2h94 n ARG 591 Cb 0.42 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.46 30.76 2h94 n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2h94 s GLN 592 N -0.18 0.77 -0.17 5.56 0.74 -0.93 -2.62 119.66 122.84 2h94 s GLN 592 Ca 0.02 0.95 -0.01 0.00 0.05 0.00 0.00 55.36 56.37 2h94 s GLN 592 Cb 0.02 0.36 0.05 0.00 1.10 0.00 0.00 33.01 34.53 2h94 s GLN 592 CO 0.02 -0.10 -0.03 0.08 -0.55 0.00 0.00 175.29 174.72 2h94 s VAL 593 N 0.46 0.96 -0.10 1.34 1.01 0.24 -1.17 120.40 123.15 2h94 s VAL 593 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2h94 s VAL 593 Cb -0.05 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2h94 s VAL 593 CO -0.01 0.06 0.03 -0.13 0.00 0.00 0.00 175.10 175.05 2h94 s ARG 594 N 1.69 3.10 -0.18 2.72 0.52 0.23 -0.32 118.95 126.71 2h94 s ARG 594 Ca 0.00 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 2h94 s ARG 594 Cb -0.16 -2.88 0.09 0.00 0.52 0.00 0.00 34.95 32.52 2h94 s ARG 594 CO -0.07 0.70 0.24 1.52 0.02 0.00 0.00 175.30 177.71 2h94 s TYR 595 N -0.86 -0.35 0.61 -0.53 -0.85 -1.26 -0.33 117.35 113.77 2h94 s TYR 595 Ca 0.13 0.47 -0.01 0.00 -0.52 0.00 0.00 57.07 57.14 2h94 s TYR 595 Cb -0.11 -0.25 0.05 0.00 0.38 0.00 0.00 41.96 42.02 2h94 s TYR 595 CO 0.03 -0.53 0.86 0.99 -1.52 0.00 0.00 175.55 175.37 2h94 s THR 596 N 2.36 2.52 0.57 -3.49 2.01 0.02 -4.68 115.64 114.95 2h94 s THR 596 Ca 0.06 -0.53 0.26 0.00 0.31 0.00 0.00 61.69 61.78 2h94 s THR 596 Cb -0.15 -2.99 0.34 0.00 0.01 0.00 0.00 72.50 69.72 2h94 s THR 596 CO -0.11 0.00 2.13 0.00 -0.69 0.00 0.00 174.62 175.95 2h94 h ALA 597 N -0.17 1.88 -3.00 7.40 0.00 -1.93 -3.39 119.26 120.04 2h94 h ALA 597 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2h94 h ALA 597 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2h94 h ALA 597 CO 0.54 -0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 2h94 n SER 598 N -4.05 0.00 -3.19 0.00 3.41 -1.26 -4.65 113.62 103.88 2h94 n SER 598 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2h94 n SER 598 Cb 0.26 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.45 2h94 n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h94 n GLY 599 N 5.00 -3.88 3.17 5.00 0.00 -1.26 -4.96 105.19 108.25 2h94 n GLY 599 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 2h94 n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h94 s GLU 601 N -0.55 2.66 -0.17 0.00 2.02 0.55 -1.68 118.70 121.54 2h94 s GLU 601 Ca -0.06 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2h94 s GLU 601 Cb -0.04 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.66 2h94 s GLU 601 CO 0.02 0.63 -0.16 0.08 0.02 0.00 0.00 175.26 175.85 2h94 s VAL 602 N -0.91 1.78 -0.20 2.63 1.01 0.27 0.78 120.40 125.77 2h94 s VAL 602 Ca 0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2h94 s VAL 602 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2h94 s VAL 602 CO 0.05 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2h94 s ILE 603 N 1.40 4.33 0.18 2.22 1.09 -0.31 0.14 121.20 130.24 2h94 s ILE 603 Ca 0.04 -0.19 0.06 0.00 -1.10 0.00 0.00 60.65 59.47 2h94 s ILE 603 Cb -0.13 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 2h94 s ILE 603 CO -0.11 0.43 -0.13 0.00 -0.10 0.00 0.00 174.94 175.03 2h94 s ALA 604 N 0.79 1.77 0.21 9.38 0.00 -0.83 -1.46 121.76 131.60 2h94 s ALA 604 Ca 0.02 -1.56 0.09 0.00 0.00 0.00 0.00 51.96 50.51 2h94 s ALA 604 Cb -0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2h94 s ALA 604 CO 0.02 0.02 -0.08 0.08 0.00 0.00 0.00 175.76 175.80 2h94 s VAL 605 N -3.00 3.23 0.52 0.00 1.01 -0.36 -0.50 120.40 121.30 2h94 s VAL 605 Ca 0.19 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.48 2h94 s VAL 605 Cb -0.00 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2h94 s VAL 605 CO 0.04 -0.20 0.57 0.21 0.00 0.00 0.00 175.10 175.73 2h94 s ASN 606 N -3.09 5.01 0.10 3.32 3.84 -1.26 0.28 114.94 123.13 2h94 s ASN 606 Ca 0.27 -0.91 0.00 0.00 0.21 0.00 0.00 52.86 52.43 2h94 s ASN 606 Cb -0.08 0.07 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 2h94 s ASN 606 CO 0.16 -1.08 0.00 0.41 -2.79 0.00 0.00 177.10 173.80 2h94 n THR 607 N -1.92 0.00 -1.73 -5.21 -1.04 -1.18 -4.49 114.28 98.71 2h94 n THR 607 Ca 0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.72 2h94 n THR 607 Cb 0.62 -0.32 0.05 0.00 -1.82 0.00 0.00 70.33 68.87 2h94 n THR 607 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2h94 n ARG 608 N -2.77 2.83 -3.65 -2.82 3.00 -1.26 -4.89 116.66 107.10 2h94 n ARG 608 Ca 0.00 -3.54 0.01 0.00 -0.00 0.00 0.00 57.85 54.31 2h94 n ARG 608 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 32.46 30.12 2h94 n ARG 608 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2h94 s SER 609 N -1.72 -0.12 0.00 6.15 1.04 -1.26 -5.08 113.70 112.70 2h94 s SER 609 Ca 0.57 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2h94 s SER 609 Cb 0.46 0.89 0.00 0.00 0.10 0.00 0.00 66.02 67.47 2h94 s SER 609 CO -0.21 -0.03 0.37 0.41 0.98 0.00 0.00 173.24 174.76 2h94 n THR 610 N 2.89 0.00 0.00 2.02 -1.04 -1.26 -4.56 114.28 112.33 2h94 n THR 610 Ca -0.16 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2h94 n THR 610 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2h94 n THR 610 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2h94 n SER 611 N 2.74 0.00 0.00 8.00 7.64 -1.26 -5.07 113.62 125.67 2h94 n SER 611 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h94 n SER 611 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2h94 n SER 611 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2h94 n GLN 612 N 0.00 0.00 0.00 1.43 -0.06 -1.26 -4.95 117.38 112.54 2h94 n GLN 612 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2h94 n GLN 612 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2h94 n GLN 612 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2h94 n THR 613 N -1.31 0.00 -4.18 1.69 -1.04 -1.26 -4.77 114.28 103.42 2h94 n THR 613 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2h94 n THR 613 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 2h94 n THR 613 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2h94 s PHE 614 N 0.00 0.93 -0.10 -1.42 2.99 0.35 -4.98 117.98 115.74 2h94 s PHE 614 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 56.93 55.99 2h94 s PHE 614 Cb 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 43.02 42.53 2h94 s PHE 614 CO 0.00 -0.14 0.06 0.42 -0.00 0.00 0.00 175.22 175.57 2h94 s ILE 615 N -3.61 -0.01 -0.31 0.64 1.01 -1.26 -1.98 121.20 115.68 2h94 s ILE 615 Ca 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.78 2h94 s ILE 615 Cb 0.05 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 2h94 s ILE 615 CO -0.04 -0.02 0.18 -0.31 0.00 0.00 0.00 174.94 174.76 2h94 s TYR 616 N 2.12 3.19 0.04 3.97 1.51 0.38 -4.91 117.35 123.65 2h94 s TYR 616 Ca 0.03 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.55 2h94 s TYR 616 Cb -0.14 -2.39 -0.06 0.00 -0.11 0.00 0.00 41.96 39.26 2h94 s TYR 616 CO -0.06 -0.39 0.49 -1.59 -1.11 0.00 0.00 175.55 172.90 2h94 s LYS 617 N 1.66 4.07 -0.02 -0.62 0.00 -1.26 0.98 119.74 124.54 2h94 s LYS 617 Ca 0.05 0.58 -0.30 0.00 0.00 0.00 0.00 55.97 56.31 2h94 s LYS 617 Cb -0.17 -3.23 0.11 0.00 0.00 0.00 0.00 37.83 34.54 2h94 s LYS 617 CO 0.08 0.66 1.13 0.00 0.00 0.00 0.00 175.35 177.22 2h94 h ASP 619 N 2.00 0.34 -4.75 0.00 3.32 -1.38 -0.59 116.42 115.36 2h94 h ASP 619 Ca -0.22 -0.72 -0.26 0.00 0.02 0.00 0.00 57.03 55.85 2h94 h ASP 619 Cb 1.21 -0.10 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 2h94 h ASP 619 CO 0.27 1.01 -0.72 0.00 -1.72 0.00 0.00 179.24 178.07 2h94 s ALA 620 N -3.36 0.63 -0.15 3.45 0.00 -1.10 -4.40 121.76 116.83 2h94 s ALA 620 Ca -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2h94 s ALA 620 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2h94 s ALA 620 CO 0.77 -0.07 -0.18 0.08 0.00 0.00 0.00 175.76 176.35 2h94 s VAL 621 N -1.85 2.37 -0.40 0.00 1.01 -0.76 -1.03 120.40 119.74 2h94 s VAL 621 Ca -0.06 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2h94 s VAL 621 Cb -0.07 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.38 2h94 s VAL 621 CO -0.01 0.53 0.24 -0.22 0.00 0.00 0.00 175.10 175.64 2h94 s LEU 622 N 0.83 4.92 -0.26 3.92 2.96 0.75 -0.48 118.68 131.31 2h94 s LEU 622 Ca -0.06 -1.16 -0.23 0.00 -0.22 0.00 0.00 54.13 52.46 2h94 s LEU 622 Cb -0.15 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 2h94 s LEU 622 CO -0.01 -0.45 0.78 0.00 -1.32 0.00 0.00 176.35 175.35 2h94 n THR 624 N 5.33 1.31 -1.70 0.00 -1.04 -0.92 -1.28 114.28 115.99 2h94 n THR 624 Ca 0.04 -1.23 -0.43 0.00 -2.04 0.00 0.00 64.05 60.39 2h94 n THR 624 Cb 0.48 0.31 -0.03 0.00 -1.82 0.00 0.00 70.33 69.27 2h94 n THR 624 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2h94 n LEU 625 N 0.14 3.75 -4.76 -4.42 4.77 -1.25 -4.86 117.00 110.36 2h94 n LEU 625 Ca 0.13 1.05 -0.39 0.00 -0.03 0.00 0.00 56.01 56.76 2h94 n LEU 625 Cb 0.52 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.11 2h94 n LEU 625 CO 0.09 0.05 1.00 -2.16 -1.33 0.00 0.00 177.39 175.03 2h94 s PRO 626 N 1.60 3.59 0.50 3.23 0.04 -1.26 -4.79 135.00 137.90 2h94 s PRO 626 Ca 0.78 2.25 0.31 0.00 0.04 0.00 0.00 61.00 64.38 2h94 s PRO 626 Cb -0.55 -2.53 1.41 0.00 0.04 0.00 0.00 34.50 32.86 2h94 s PRO 626 CO 0.36 -0.84 1.79 1.25 0.04 0.00 0.00 177.00 179.60 2h94 h LEU 627 N 2.11 0.14 -1.14 -3.56 7.12 -1.92 0.17 115.31 118.25 2h94 h LEU 627 Ca -0.50 0.03 -0.09 0.00 0.13 0.00 0.00 57.88 57.45 2h94 h LEU 627 Cb 1.27 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.40 2h94 h LEU 627 CO 0.60 0.02 -0.41 1.23 -0.13 0.00 0.00 178.44 179.75 2h94 h GLY 628 N 0.12 0.00 1.27 3.75 0.00 -1.84 -2.45 103.07 103.92 2h94 h GLY 628 Ca 0.58 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.58 2h94 h GLY 628 CO -0.11 0.00 -1.49 -2.08 0.00 0.00 0.00 176.54 172.86 2h94 h VAL 629 N 0.00 1.26 0.00 4.60 2.07 -0.81 -2.37 116.25 121.01 2h94 h VAL 629 Ca -0.00 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2h94 h VAL 629 Cb 0.78 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2h94 h VAL 629 CO 0.05 0.83 0.00 0.18 0.02 0.00 0.00 177.57 178.65 2h94 n LEU 630 N -3.67 0.60 0.03 2.57 4.77 -0.98 -1.89 117.00 118.43 2h94 n LEU 630 Ca -0.17 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 2h94 n LEU 630 Cb 1.09 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2h94 n LEU 630 CO 0.58 -0.59 -0.45 0.29 -1.33 0.00 0.00 177.39 175.89 2h94 n LYS 631 N -2.18 0.60 -1.72 3.23 5.02 -0.93 -4.94 118.16 117.25 2h94 n LYS 631 Ca 0.02 -0.08 -0.61 0.00 -2.02 0.00 0.00 58.31 55.61 2h94 n LYS 631 Cb 0.19 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.50 2h94 n LYS 631 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2h94 n GLN 632 N -2.35 0.73 0.19 1.97 7.27 -0.79 -4.86 117.38 119.53 2h94 n GLN 632 Ca -0.02 0.27 -0.11 0.00 0.07 0.00 0.00 57.00 57.20 2h94 n GLN 632 Cb 0.55 -1.88 -0.06 0.00 2.41 0.00 0.00 30.24 31.26 2h94 n GLN 632 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2h94 h GLN 633 N 6.26 -0.61 0.00 3.69 -0.00 -1.91 -3.33 115.11 119.21 2h94 h GLN 633 Ca -0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2h94 h GLN 633 Cb 1.34 0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.96 2h94 h GLN 633 CO 0.95 -0.40 0.00 -2.30 0.00 0.00 0.00 178.83 177.08 2h94 n PRO 634 N -4.26 0.00 0.00 -2.39 -0.02 -1.26 -4.81 135.00 122.25 2h94 n PRO 634 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2h94 n PRO 634 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 2h94 n PRO 634 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2h94 n PRO 635 N -1.57 2.91 -0.14 0.52 -0.04 -1.25 -5.12 135.00 130.32 2h94 n PRO 635 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2h94 n PRO 635 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2h94 n PRO 635 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h94 n ALA 636 N -3.00 1.25 -2.34 0.55 0.00 -1.26 -4.98 120.51 110.73 2h94 n ALA 636 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 53.44 52.05 2h94 n ALA 636 Cb 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.35 2h94 n ALA 636 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2h94 s VAL 637 N -2.51 2.11 0.05 0.00 -7.23 -1.26 -4.73 120.40 106.83 2h94 s VAL 637 Ca -0.38 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2h94 s VAL 637 Cb 0.13 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2h94 s VAL 637 CO 0.53 0.41 -0.13 -1.58 -0.31 0.00 0.00 175.10 174.02 2h94 s GLN 638 N -1.11 2.22 -0.31 4.82 0.74 -1.08 -4.96 119.66 119.98 2h94 s GLN 638 Ca 0.11 -0.92 -0.02 0.00 0.05 0.00 0.00 55.36 54.58 2h94 s GLN 638 Cb -0.10 -2.31 0.05 0.00 1.10 0.00 0.00 33.01 31.76 2h94 s GLN 638 CO 0.01 0.55 0.02 -0.06 -0.55 0.00 0.00 175.29 175.26 2h94 s PHE 639 N -1.03 3.30 0.00 1.67 0.40 -1.26 0.81 117.98 121.87 2h94 s PHE 639 Ca 0.17 -1.92 0.00 0.00 -0.60 0.00 0.00 56.93 54.58 2h94 s PHE 639 Cb -0.11 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.21 2h94 s PHE 639 CO 0.08 -0.82 0.00 0.28 0.70 0.00 0.00 175.22 175.47 2h94 n VAL 640 N 4.62 0.00 -1.78 -0.44 0.31 0.56 -1.84 118.33 119.76 2h94 n VAL 640 Ca -0.12 0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 2h94 n VAL 640 Cb 0.43 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 2h94 n VAL 640 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2h94 s PRO 641 N -0.01 4.16 0.71 5.55 0.02 -1.26 -4.83 135.00 139.33 2h94 s PRO 641 Ca 0.00 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 2h94 s PRO 641 Cb 0.00 -3.94 -0.01 0.00 0.02 0.00 0.00 34.50 30.56 2h94 s PRO 641 CO 0.00 -0.88 0.82 -2.30 -0.33 0.00 0.00 177.00 174.31 2h94 n PRO 642 N 6.84 0.47 -1.90 5.54 -0.02 -0.77 -4.85 135.00 140.31 2h94 n PRO 642 Ca 0.18 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2h94 n PRO 642 Cb 0.41 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2h94 n PRO 642 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h94 s LEU 643 N -2.04 4.37 0.70 2.45 1.43 -1.26 -4.93 118.68 119.41 2h94 s LEU 643 Ca 0.71 2.64 -0.18 0.00 -1.03 0.00 0.00 54.13 56.27 2h94 s LEU 643 Cb -0.36 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.14 2h94 s LEU 643 CO 0.52 -0.85 -0.98 -2.65 0.23 0.00 0.00 176.35 172.62 2h94 n PRO 644 N 4.17 0.00 0.19 1.29 -0.02 -1.26 -4.59 135.00 134.78 2h94 n PRO 644 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2h94 n PRO 644 Cb 0.38 -0.70 -0.04 0.00 -0.02 0.00 0.00 33.50 33.12 2h94 n PRO 644 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2h94 h GLU 645 N -0.70 -0.47 -0.91 -0.52 4.22 -2.01 -3.18 114.58 111.00 2h94 h GLU 645 Ca -0.28 0.03 0.24 0.00 0.08 0.00 0.00 59.36 59.43 2h94 h GLU 645 Cb 0.97 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.16 2h94 h GLU 645 CO 0.15 -0.31 0.08 0.11 -2.18 0.00 0.00 179.01 176.86 2h94 h TRP 646 N -0.58 0.06 0.00 0.92 5.08 -1.99 -2.22 115.95 117.21 2h94 h TRP 646 Ca -0.05 0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2h94 h TRP 646 Cb 0.37 0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2h94 h TRP 646 CO 0.10 -0.34 0.00 1.17 -1.28 0.00 0.00 178.44 178.09 2h94 n LYS 647 N -5.39 0.00 -0.35 0.12 3.00 -1.23 -2.27 118.16 112.04 2h94 n LYS 647 Ca 0.21 0.19 0.24 0.00 -0.00 0.00 0.00 58.31 58.95 2h94 n LYS 647 Cb 0.69 -1.07 0.51 0.00 0.00 0.00 0.00 35.03 35.15 2h94 n LYS 647 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2h94 h THR 648 N 0.00 0.44 -0.26 3.15 1.35 -1.52 0.53 112.91 116.60 2h94 h THR 648 Ca 0.00 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 2h94 h THR 648 Cb 0.00 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 2h94 h THR 648 CO 0.00 0.07 0.01 0.77 -0.25 0.00 0.00 175.52 176.12 2h94 h SER 649 N 0.37 0.36 -0.07 5.36 4.64 -1.41 0.22 113.55 123.02 2h94 h SER 649 Ca 0.65 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.84 2h94 h SER 649 Cb 1.64 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2h94 h SER 649 CO -0.38 0.41 -0.26 0.00 -0.87 0.00 0.00 176.83 175.74 2h94 h ALA 650 N 1.64 0.13 -0.94 5.18 0.00 0.42 -2.52 119.26 123.17 2h94 h ALA 650 Ca 0.09 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.71 2h94 h ALA 650 Cb 0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2h94 h ALA 650 CO 0.00 0.13 0.60 0.28 0.00 0.00 0.00 179.25 180.26 2h94 h VAL 651 N -0.19 0.89 0.00 0.00 2.07 -0.19 -1.85 116.25 116.97 2h94 h VAL 651 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2h94 h VAL 651 Cb 0.89 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2h94 h VAL 651 CO 0.05 0.15 -0.33 0.06 0.02 0.00 0.00 177.57 177.53 2h94 h GLN 652 N 0.84 0.00 -0.02 1.57 3.07 -0.55 -3.27 115.11 116.76 2h94 h GLN 652 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 2h94 h GLN 652 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 2h94 h GLN 652 CO -0.23 0.00 -0.16 2.89 0.09 0.00 0.00 178.83 181.42 2h94 n ARG 653 N -2.93 1.46 -2.11 0.06 1.85 -0.75 -4.90 116.66 109.35 2h94 n ARG 653 Ca 0.03 -1.00 -0.28 0.00 -1.00 0.00 0.00 57.85 55.60 2h94 n ARG 653 Cb 0.53 -1.48 0.14 0.00 -1.05 0.00 0.00 32.46 30.60 2h94 n ARG 653 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2h94 s MET 654 N -2.23 1.28 -0.04 2.89 -1.94 -0.88 -4.09 119.30 114.28 2h94 s MET 654 Ca 0.29 -0.46 0.07 0.00 -1.71 0.00 0.00 55.69 53.87 2h94 s MET 654 Cb 0.20 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 35.01 2h94 s MET 654 CO 0.42 -1.92 -0.25 0.20 -0.01 0.00 0.00 175.02 173.47 2h94 s GLY 655 N -4.76 1.25 -0.14 -0.03 0.00 -0.96 -4.82 107.32 97.85 2h94 s GLY 655 Ca 0.69 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2h94 s GLY 655 CO 0.49 -0.74 -0.14 -0.12 0.00 0.00 0.00 173.10 172.59 2h94 s PHE 656 N -0.33 2.15 0.00 1.90 5.36 -1.26 -0.46 117.98 125.34 2h94 s PHE 656 Ca 0.02 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2h94 s PHE 656 Cb -0.12 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 2h94 s PHE 656 CO 0.02 -0.65 0.00 0.41 -1.46 0.00 0.00 175.22 173.53 2h94 n GLY 657 N 4.72 1.92 3.20 13.12 0.00 0.17 -4.93 105.19 123.40 2h94 n GLY 657 Ca -0.17 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 2h94 n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h94 s ASN 658 N -1.00 0.14 0.00 1.61 3.04 0.14 0.97 114.94 119.84 2h94 s ASN 658 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 52.86 52.23 2h94 s ASN 658 Cb 0.00 0.33 0.00 0.00 -1.54 0.00 0.00 41.25 40.04 2h94 s ASN 658 CO 0.00 -0.72 0.00 0.00 -3.04 0.00 0.00 177.10 173.34 2h94 n LEU 659 N -0.05 0.00 -4.71 3.21 -0.00 -1.26 -4.33 117.00 109.86 2h94 n LEU 659 Ca -0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.58 2h94 n LEU 659 Cb 0.62 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.96 2h94 n LEU 659 CO 0.23 0.00 -0.22 0.20 -0.00 0.00 0.00 177.39 177.59 2h94 s ASN 660 N 0.00 4.13 0.17 1.45 -0.87 -1.03 -4.78 114.94 114.02 2h94 s ASN 660 Ca 0.00 -1.38 0.07 0.00 -1.57 0.00 0.00 52.86 49.98 2h94 s ASN 660 Cb 0.00 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.25 41.10 2h94 s ASN 660 CO 0.00 -0.64 -0.14 -0.54 -2.57 0.00 0.00 177.10 173.21 2h94 s LYS 661 N -3.85 1.19 -0.29 -0.60 1.02 -1.26 -2.17 119.74 113.78 2h94 s LYS 661 Ca 0.28 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 54.82 2h94 s LYS 661 Cb 0.05 -0.98 0.08 0.00 -0.52 0.00 0.00 37.83 36.47 2h94 s LYS 661 CO 0.15 0.17 0.03 0.08 -0.92 0.00 0.00 175.35 174.86 2h94 s VAL 662 N -2.78 1.45 -0.05 3.17 1.01 0.15 -1.07 120.40 122.29 2h94 s VAL 662 Ca 0.17 -1.56 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 2h94 s VAL 662 Cb -0.01 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2h94 s VAL 662 CO 0.04 -0.44 0.76 -0.69 0.00 0.00 0.00 175.10 174.77 2h94 s VAL 663 N 1.36 5.01 -0.33 2.92 1.01 0.15 -0.12 120.40 130.41 2h94 s VAL 663 Ca 0.04 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2h94 s VAL 663 Cb -0.18 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.20 2h94 s VAL 663 CO -0.13 0.23 0.06 -0.76 0.00 0.00 0.00 175.10 174.50 2h94 s LEU 664 N 0.84 3.91 -0.21 3.92 1.43 -0.36 -2.41 118.68 125.81 2h94 s LEU 664 Ca 0.40 -1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 51.33 2h94 s LEU 664 Cb -0.18 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2h94 s LEU 664 CO 0.20 -0.38 0.67 0.00 0.23 0.00 0.00 176.35 177.07 2h94 n PHE 666 N 5.29 -1.28 0.04 0.00 3.01 0.20 -0.35 117.46 124.37 2h94 n PHE 666 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 2h94 n PHE 666 Cb 0.49 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.88 2h94 n PHE 666 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2h94 n ASP 667 N -1.79 0.50 0.00 4.37 2.03 -1.26 -4.67 116.55 115.74 2h94 n ASP 667 Ca 0.00 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2h94 n ASP 667 Cb 0.00 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2h94 n ASP 667 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2h94 n ARG 668 N -2.58 0.00 -2.18 -0.67 0.00 -1.26 -4.94 116.66 105.04 2h94 n ARG 668 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.37 2h94 n ARG 668 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 33.08 2h94 n ARG 668 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2h94 s VAL 669 N -2.00 3.82 -0.61 8.89 1.01 -1.26 -4.85 120.40 125.40 2h94 s VAL 669 Ca 0.00 1.04 0.06 0.00 0.00 0.00 0.00 61.98 63.08 2h94 s VAL 669 Cb 0.00 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2h94 s VAL 669 CO 0.00 -0.07 0.90 2.22 0.00 0.00 0.00 175.10 178.15 2h94 n PHE 670 N 6.59 0.12 -4.04 5.22 1.16 -1.26 -5.00 117.46 120.24 2h94 n PHE 670 Ca 0.15 -0.24 -0.25 0.00 -1.87 0.00 0.00 57.45 55.24 2h94 n PHE 670 Cb 0.44 -0.02 -0.05 0.00 -1.61 0.00 0.00 39.48 38.24 2h94 n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2h94 s TRP 671 N -0.73 2.31 -0.17 2.97 -2.14 -1.26 -4.83 118.94 115.08 2h94 s TRP 671 Ca 0.09 -0.67 -0.29 0.00 2.66 0.00 0.00 56.10 57.89 2h94 s TRP 671 Cb 0.06 -1.95 -0.02 0.00 -3.10 0.00 0.00 33.47 28.46 2h94 s TRP 671 CO 0.08 -0.02 1.39 0.34 -2.66 0.00 0.00 176.95 176.07 2h94 s ASP 672 N -4.03 6.78 0.41 -2.66 -1.08 -1.26 -4.93 116.67 109.89 2h94 s ASP 672 Ca 0.37 1.71 0.17 0.00 -0.52 0.00 0.00 52.55 54.28 2h94 s ASP 672 Cb 0.01 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.81 2h94 s ASP 672 CO 0.21 -0.91 1.86 -0.65 0.52 0.00 0.00 175.17 176.21 2h94 h PRO 673 N 8.95 0.00 -0.05 4.34 0.11 -1.98 -3.07 132.00 140.31 2h94 h PRO 673 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2h94 h PRO 673 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2h94 h PRO 673 CO 0.98 0.31 0.00 -1.13 -0.21 0.00 0.00 178.00 177.96 2h94 n SER 674 N -3.86 0.74 -4.44 -2.05 3.41 -1.26 -4.75 113.62 101.41 2h94 n SER 674 Ca -0.01 -1.41 -0.34 0.00 -0.26 0.00 0.00 58.87 56.84 2h94 n SER 674 Cb 0.39 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 2h94 n SER 674 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2h94 s VAL 675 N -1.95 3.79 -0.02 -3.33 0.11 -1.16 -4.98 120.40 112.86 2h94 s VAL 675 Ca 0.36 -0.38 0.11 0.00 -2.93 0.00 0.00 61.98 59.15 2h94 s VAL 675 Cb 0.18 -2.69 -0.09 0.00 -1.53 0.00 0.00 36.38 32.25 2h94 s VAL 675 CO 0.29 0.45 1.28 0.78 -3.33 0.00 0.00 175.10 174.57 2h94 h ASN 676 N 7.31 0.00 -5.00 3.54 2.35 -1.77 -3.44 115.58 118.58 2h94 h ASN 676 Ca -0.35 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 2h94 h ASN 676 Cb 1.18 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.38 2h94 h ASN 676 CO 0.61 0.76 0.20 -1.48 -1.65 0.00 0.00 177.43 175.87 2h94 s LEU 677 N -6.50 -0.64 -0.08 1.61 0.05 -1.26 -1.81 118.68 110.05 2h94 s LEU 677 Ca 0.02 0.53 -0.13 0.00 0.05 0.00 0.00 54.13 54.60 2h94 s LEU 677 Cb 0.09 2.55 0.03 0.00 -2.05 0.00 0.00 46.19 46.81 2h94 s LEU 677 CO 0.79 -0.70 0.31 0.72 -0.55 0.00 0.00 176.35 176.92 2h94 s PHE 678 N -1.86 -0.28 0.20 3.48 -0.12 -1.12 -4.05 117.98 114.24 2h94 s PHE 678 Ca -0.08 0.61 0.05 0.00 -0.05 0.00 0.00 56.93 57.46 2h94 s PHE 678 Cb -0.00 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 2h94 s PHE 678 CO 0.04 -0.26 0.24 0.20 -0.05 0.00 0.00 175.22 175.39 2h94 s GLY 679 N -0.45 1.50 -0.23 1.99 0.00 -0.41 -1.57 107.32 108.15 2h94 s GLY 679 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2h94 s GLY 679 CO 0.02 -1.26 -0.12 -1.58 0.00 0.00 0.00 173.10 170.16 2h94 s HIS 680 N -1.92 3.00 0.32 1.90 2.46 -0.25 -1.19 115.29 119.62 2h94 s HIS 680 Ca 0.33 -1.71 -0.29 0.00 0.47 0.00 0.00 55.06 53.86 2h94 s HIS 680 Cb -0.09 -1.99 -0.10 0.00 -0.13 0.00 0.00 32.58 30.27 2h94 s HIS 680 CO 0.26 -0.78 1.28 0.08 -2.47 0.00 0.00 174.74 173.11 2h94 s VAL 681 N 1.27 2.84 0.86 0.89 1.01 0.17 -4.41 120.40 123.03 2h94 s VAL 681 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 2h94 s VAL 681 Cb -0.16 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.80 2h94 s VAL 681 CO -0.07 0.20 1.18 -0.83 0.00 0.00 0.00 175.10 175.58 2h94 s GLY 682 N -0.50 1.61 -0.15 4.51 0.00 -1.26 -4.08 107.32 107.44 2h94 s GLY 682 Ca 0.49 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 44.35 2h94 s GLY 682 CO 0.51 -0.14 0.26 1.76 0.00 0.00 0.00 173.10 175.49 2h94 h SER 683 N -1.28 0.00 -2.94 1.64 0.02 -1.92 -3.45 113.55 105.62 2h94 h SER 683 Ca -0.47 -0.46 -0.63 0.00 -0.84 0.00 0.00 61.79 59.39 2h94 h SER 683 Cb 1.32 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.69 2h94 h SER 683 CO 0.61 1.01 -0.80 -0.89 -1.14 0.00 0.00 176.83 175.62 2h94 s THR 684 N -2.14 2.35 0.18 -2.27 2.01 -1.26 -5.01 115.64 109.50 2h94 s THR 684 Ca -0.18 -2.13 -0.15 0.00 0.31 0.00 0.00 61.69 59.54 2h94 s THR 684 Cb 0.01 -2.16 0.11 0.00 0.01 0.00 0.00 72.50 70.48 2h94 s THR 684 CO 0.44 -0.21 1.68 0.74 -0.69 0.00 0.00 174.62 176.58 2h94 h THR 685 N 2.94 0.62 -3.43 -0.82 2.02 -1.98 -2.93 112.91 109.34 2h94 h THR 685 Ca -0.44 -0.03 -0.54 0.00 0.77 0.00 0.00 66.41 66.16 2h94 h THR 685 Cb 1.22 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2h94 h THR 685 CO 0.51 0.02 0.32 0.00 0.37 0.00 0.00 175.52 176.74 2h94 s ALA 686 N -6.18 3.21 -0.23 6.16 0.00 -1.26 -3.04 121.76 120.41 2h94 s ALA 686 Ca -0.14 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 2h94 s ALA 686 Cb 0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2h94 s ALA 686 CO 0.72 -0.17 0.20 -1.13 0.00 0.00 0.00 175.76 175.38 2h94 n SER 687 N 3.65 -2.48 -0.00 0.00 3.41 -1.25 -4.92 113.62 112.03 2h94 n SER 687 Ca 0.04 -0.10 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 2h94 n SER 687 Cb 0.51 -1.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.00 2h94 n SER 687 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2h94 n ARG 688 N -1.41 0.20 0.00 4.33 1.85 -1.10 -3.93 116.66 116.59 2h94 n ARG 688 Ca -0.02 -0.06 0.12 0.00 -1.00 0.00 0.00 57.85 56.89 2h94 n ARG 688 Cb 0.52 -1.51 0.08 0.00 -1.05 0.00 0.00 32.46 30.50 2h94 n ARG 688 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2h94 n GLY 689 N 1.43 0.75 3.56 2.89 0.00 -1.26 -4.55 105.19 108.01 2h94 n GLY 689 Ca 0.02 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 2h94 n GLY 689 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h94 s GLU 690 N -2.12 3.00 -1.52 1.61 2.12 -1.25 -0.69 118.70 119.85 2h94 s GLU 690 Ca 0.26 0.56 -0.08 0.00 0.36 0.00 0.00 54.97 56.06 2h94 s GLU 690 Cb 0.20 -4.25 0.07 0.00 0.26 0.00 0.00 34.13 30.40 2h94 s GLU 690 CO 0.37 -2.29 0.64 1.28 -0.54 0.00 0.00 175.26 174.71 2h94 n LEU 691 N 11.00 -2.14 0.05 2.70 4.77 -0.32 -4.86 117.00 128.20 2h94 n LEU 691 Ca 0.16 -0.97 0.13 0.00 -0.03 0.00 0.00 56.01 55.31 2h94 n LEU 691 Cb 0.50 -2.25 0.51 0.00 -2.33 0.00 0.00 43.42 39.85 2h94 n LEU 691 CO 0.71 0.39 0.91 2.22 -1.33 0.00 0.00 177.39 180.29 2h94 n PHE 692 N -4.43 0.43 -3.42 -1.77 1.16 -1.08 -4.53 117.46 103.82 2h94 n PHE 692 Ca -0.13 0.13 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2h94 n PHE 692 Cb 0.60 -0.71 -0.10 0.00 -1.61 0.00 0.00 39.48 37.65 2h94 n PHE 692 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2h94 s LEU 693 N -3.71 -0.32 0.34 5.98 2.96 -1.26 -1.09 118.68 121.58 2h94 s LEU 693 Ca 0.12 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 2h94 s LEU 693 Cb 0.15 0.66 -0.09 0.00 0.50 0.00 0.00 46.19 47.41 2h94 s LEU 693 CO 0.54 -0.34 0.79 -0.36 -1.32 0.00 0.00 176.35 175.66 2h94 s PHE 694 N 2.41 3.40 -0.08 5.38 0.40 -0.61 -2.56 117.98 126.32 2h94 s PHE 694 Ca 0.09 1.35 0.01 0.00 -0.60 0.00 0.00 56.93 57.78 2h94 s PHE 694 Cb -0.15 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.77 2h94 s PHE 694 CO -0.19 0.07 -0.07 -0.46 0.70 0.00 0.00 175.22 175.27 2h94 s TRP 695 N -1.97 1.19 -0.32 0.36 -0.11 0.16 -2.81 118.94 115.44 2h94 s TRP 695 Ca 0.55 -0.48 0.00 0.00 1.22 0.00 0.00 56.10 57.39 2h94 s TRP 695 Cb -0.11 -0.99 0.08 0.00 -1.50 0.00 0.00 33.47 30.95 2h94 s TRP 695 CO 0.17 -0.34 0.03 1.21 -4.62 0.00 0.00 176.95 173.40 2h94 s ASN 696 N 1.25 4.85 0.00 5.86 3.04 -0.75 0.66 114.94 129.85 2h94 s ASN 696 Ca -0.05 -1.67 0.00 0.00 0.04 0.00 0.00 52.86 51.19 2h94 s ASN 696 Cb -0.14 -1.68 0.00 0.00 -1.54 0.00 0.00 41.25 37.89 2h94 s ASN 696 CO -0.02 -0.33 0.10 0.18 -3.04 0.00 0.00 177.10 173.99 2h94 n LEU 697 N 4.49 0.20 -4.84 3.21 4.77 -1.26 -4.54 117.00 119.03 2h94 n LEU 697 Ca -0.07 -0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 2h94 n LEU 697 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2h94 n LEU 697 CO 0.26 0.05 -0.04 -0.31 -1.33 0.00 0.00 177.39 176.01 2h94 s TYR 698 N -0.23 2.08 -0.05 -1.77 1.51 -1.26 -4.91 117.35 112.72 2h94 s TYR 698 Ca 0.00 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 55.07 2h94 s TYR 698 Cb 0.00 -1.94 -0.21 0.00 -0.11 0.00 0.00 41.96 39.70 2h94 s TYR 698 CO 0.00 -0.18 1.09 1.57 -1.11 0.00 0.00 175.55 176.92 2h94 h LYS 699 N 1.03 -0.04 -7.17 -0.62 2.10 -1.95 -3.45 116.57 106.46 2h94 h LYS 699 Ca -0.40 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.73 2h94 h LYS 699 Cb 1.28 0.01 0.15 0.00 -0.90 0.00 0.00 32.23 32.77 2h94 h LYS 699 CO 0.62 0.54 0.40 0.00 -2.00 0.00 0.00 179.45 179.01 2h94 s ALA 700 N -3.73 2.20 -1.05 0.07 0.00 -1.26 -4.83 121.76 113.16 2h94 s ALA 700 Ca -0.16 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 2h94 s ALA 700 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 2h94 s ALA 700 CO 0.64 -1.74 1.96 -1.25 0.00 0.00 0.00 175.76 175.38 2h94 s PRO 701 N -3.90 2.43 -0.03 0.00 0.04 -1.26 -4.87 135.00 127.42 2h94 s PRO 701 Ca 0.73 -0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.05 2h94 s PRO 701 Cb -0.28 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.15 2h94 s PRO 701 CO 0.44 -3.82 0.05 -1.50 0.04 0.00 0.00 177.00 172.21 2h94 s ILE 702 N 11.02 -0.06 0.07 0.56 2.07 -1.26 0.62 121.20 134.22 2h94 s ILE 702 Ca 0.70 0.21 0.06 0.00 -1.41 0.00 0.00 60.65 60.21 2h94 s ILE 702 Cb -0.04 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.41 2h94 s ILE 702 CO 0.07 0.09 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.35 2h94 s LEU 703 N 1.09 3.10 -0.25 8.50 1.43 -0.83 -4.39 118.68 127.33 2h94 s LEU 703 Ca -0.09 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2h94 s LEU 703 Cb -0.13 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2h94 s LEU 703 CO -0.03 0.21 -0.08 -0.22 0.23 0.00 0.00 176.35 176.45 2h94 s LEU 704 N -1.96 3.16 -0.04 1.79 2.96 0.21 -1.22 118.68 123.57 2h94 s LEU 704 Ca 0.20 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 2h94 s LEU 704 Cb -0.11 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 2h94 s LEU 704 CO 0.12 -0.13 0.37 0.00 -1.32 0.00 0.00 176.35 175.39 2h94 s ALA 705 N 1.27 3.69 -0.09 5.97 0.00 0.83 0.38 121.76 133.81 2h94 s ALA 705 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2h94 s ALA 705 Cb -0.17 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2h94 s ALA 705 CO -0.05 0.41 -0.06 -0.51 0.00 0.00 0.00 175.76 175.55 2h94 s LEU 706 N -0.72 3.22 -0.25 0.00 1.43 -1.06 0.30 118.68 121.60 2h94 s LEU 706 Ca 0.22 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2h94 s LEU 706 Cb -0.16 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2h94 s LEU 706 CO 0.11 0.33 -0.11 -0.69 0.23 0.00 0.00 176.35 176.22 2h94 s VAL 707 N -0.59 2.05 0.00 -1.59 1.01 -0.92 -1.18 120.40 119.17 2h94 s VAL 707 Ca 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2h94 s VAL 707 Cb -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2h94 s VAL 707 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.13 2h94 n ALA 708 N 4.49 0.00 -0.69 5.51 0.00 0.13 -2.45 120.51 127.50 2h94 n ALA 708 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2h94 n ALA 708 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2h94 n ALA 708 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h94 n GLY 709 N 4.76 0.87 0.00 0.00 0.00 -1.26 -2.57 105.19 106.98 2h94 n GLY 709 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.32 2h94 n GLY 709 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2h94 n GLU 710 N 0.00 0.12 0.07 1.61 0.28 -1.26 -2.29 120.64 119.16 2h94 n GLU 710 Ca 0.00 0.21 -0.11 0.00 -0.16 0.00 0.00 57.16 57.10 2h94 n GLU 710 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 2h94 n GLU 710 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2h94 h ALA 711 N 2.54 0.50 -0.53 -1.84 0.00 -1.85 -3.32 119.26 114.76 2h94 h ALA 711 Ca 0.00 -0.67 0.11 0.00 0.00 0.00 0.00 54.91 54.34 2h94 h ALA 711 Cb 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 2h94 h ALA 711 CO 0.00 0.82 -0.19 0.00 0.00 0.00 0.00 179.25 179.88 2h94 h ALA 712 N 0.88 0.24 -0.24 0.00 0.00 -1.18 0.23 119.26 119.19 2h94 h ALA 712 Ca -0.05 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2h94 h ALA 712 Cb 1.45 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2h94 h ALA 712 CO 0.14 -0.50 -0.15 0.78 0.00 0.00 0.00 179.25 179.52 2h94 h GLY 713 N -0.06 0.56 0.91 0.00 0.00 -1.77 -3.08 103.07 99.62 2h94 h GLY 713 Ca 0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2h94 h GLY 713 CO -0.58 0.48 -0.13 -2.22 0.00 0.00 0.00 176.54 174.09 2h94 h ILE 714 N 0.23 0.76 -0.45 2.60 2.04 -1.55 -2.82 117.51 118.30 2h94 h ILE 714 Ca 0.05 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 65.85 2h94 h ILE 714 Cb 0.67 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2h94 h ILE 714 CO 0.04 0.04 0.45 0.24 0.00 0.00 0.00 178.15 178.92 2h94 h MET 715 N -0.47 0.00 0.00 2.37 2.86 -0.65 -0.11 114.93 118.94 2h94 h MET 715 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2h94 h MET 715 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2h94 h MET 715 CO 0.06 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.42 2h94 n GLU 716 N -3.83 0.14 -0.81 1.72 1.02 -1.06 -1.95 120.64 115.86 2h94 n GLU 716 Ca 0.08 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.23 2h94 n GLU 716 Cb 0.64 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.78 2h94 n GLU 716 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2h94 n ASN 717 N -1.06 3.33 -4.24 1.62 3.02 -0.05 -4.99 115.26 112.88 2h94 n ASN 717 Ca 0.03 -3.49 -0.18 0.00 -0.03 0.00 0.00 54.58 50.91 2h94 n ASN 717 Cb 0.02 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 38.42 2h94 n ASN 717 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h94 s ILE 718 N -3.12 1.32 0.62 2.41 1.01 -0.82 -5.13 121.20 117.49 2h94 s ILE 718 Ca 0.47 -1.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 2h94 s ILE 718 Cb 0.41 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2h94 s ILE 718 CO 0.05 -0.45 1.20 -0.44 0.00 0.00 0.00 174.94 175.30 2h94 s SER 719 N -2.54 5.02 0.33 3.58 0.01 -1.26 -4.83 113.70 114.01 2h94 s SER 719 Ca 0.10 2.34 0.01 0.00 1.31 0.00 0.00 55.95 59.71 2h94 s SER 719 Cb -0.04 -2.59 0.57 0.00 0.21 0.00 0.00 66.02 64.17 2h94 s SER 719 CO 0.03 -1.70 1.99 0.44 0.41 0.00 0.00 173.24 174.40 2h94 h ASP 720 N 0.61 0.78 0.34 2.44 3.45 -1.98 -0.49 116.42 121.57 2h94 h ASP 720 Ca -0.50 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 56.93 2h94 h ASP 720 Cb 1.29 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.85 2h94 h ASP 720 CO 0.54 0.58 -0.36 0.44 -1.57 0.00 0.00 179.24 178.87 2h94 h ASP 721 N 0.92 -1.00 -0.57 6.45 3.32 -1.97 0.54 116.42 124.10 2h94 h ASP 721 Ca 0.25 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.42 2h94 h ASP 721 Cb -0.08 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2h94 h ASP 721 CO -0.05 -0.47 0.32 0.58 -1.72 0.00 0.00 179.24 177.90 2h94 h VAL 722 N -0.71 1.01 0.23 -1.35 2.07 -1.87 0.24 116.25 115.87 2h94 h VAL 722 Ca -0.04 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2h94 h VAL 722 Cb 0.62 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2h94 h VAL 722 CO -0.05 0.11 -0.18 0.40 0.02 0.00 0.00 177.57 177.87 2h94 h ILE 723 N 0.62 0.61 -0.24 4.57 2.04 -0.94 -1.49 117.51 122.69 2h94 h ILE 723 Ca 0.24 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.17 2h94 h ILE 723 Cb 0.09 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2h94 h ILE 723 CO -0.14 0.00 0.18 0.58 0.00 0.00 0.00 178.15 178.78 2h94 h VAL 724 N -0.42 0.80 -0.31 1.67 2.07 0.62 -1.05 116.25 119.63 2h94 h VAL 724 Ca -0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2h94 h VAL 724 Cb 0.37 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2h94 h VAL 724 CO -0.01 0.00 -0.20 1.23 0.02 0.00 0.00 177.57 178.61 2h94 h GLY 725 N 0.00 0.73 2.00 2.17 0.00 0.42 -1.72 103.07 106.67 2h94 h GLY 725 Ca 0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2h94 h GLY 725 CO -0.00 0.63 -0.08 3.21 0.00 0.00 0.00 176.54 180.29 2h94 h ARG 726 N 0.43 0.00 0.31 4.80 3.08 -0.26 -1.36 114.38 121.37 2h94 h ARG 726 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2h94 h ARG 726 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2h94 h ARG 726 CO 0.05 0.08 -0.15 0.00 -1.07 0.00 0.00 179.97 178.89 2h94 h LEU 728 N -0.91 -0.45 0.02 0.00 3.38 -0.71 0.90 115.31 117.55 2h94 h LEU 728 Ca -0.04 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2h94 h LEU 728 Cb 0.52 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2h94 h LEU 728 CO 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 178.44 178.38 2h94 h ALA 729 N 1.59 -0.64 -0.97 1.53 0.00 -1.32 0.20 119.26 119.64 2h94 h ALA 729 Ca 0.31 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.52 2h94 h ALA 729 Cb 0.49 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 2h94 h ALA 729 CO -0.59 -0.65 0.30 0.82 0.00 0.00 0.00 179.25 179.13 2h94 h ILE 730 N -0.08 0.11 0.08 0.00 2.04 -1.22 0.64 117.51 119.09 2h94 h ILE 730 Ca -0.00 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2h94 h ILE 730 Cb 0.07 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2h94 h ILE 730 CO -0.02 0.02 -0.04 -0.07 0.00 0.00 0.00 178.15 178.04 2h94 h LEU 731 N 0.09 -0.09 0.00 1.44 3.38 -0.13 -1.65 115.31 118.35 2h94 h LEU 731 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.66 2h94 h LEU 731 Cb 1.58 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2h94 h LEU 731 CO -0.78 -0.05 0.00 2.29 0.09 0.00 0.00 178.44 179.99 2h94 n LYS 732 N -2.37 0.33 0.04 1.13 2.85 0.63 0.75 118.16 121.53 2h94 n LYS 732 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.12 2h94 n LYS 732 Cb 0.04 -1.44 -0.14 0.00 -0.65 0.00 0.00 35.03 32.85 2h94 n LYS 732 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2h94 h GLY 733 N 1.71 0.14 0.00 2.58 0.00 0.54 -3.36 103.07 104.68 2h94 h GLY 733 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 2h94 h GLY 733 CO 0.00 0.32 -2.14 0.29 0.00 0.00 0.00 176.54 175.01 2h94 n ILE 734 N -3.32 0.55 -0.02 2.60 -5.35 0.13 -3.98 119.36 109.98 2h94 n ILE 734 Ca -0.13 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 2h94 n ILE 734 Cb 1.02 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 2h94 n ILE 734 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2h94 n PHE 735 N -2.44 0.00 -1.83 4.28 3.01 0.23 -4.93 117.46 115.77 2h94 n PHE 735 Ca -0.15 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.91 2h94 n PHE 735 Cb 0.80 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.28 2h94 n PHE 735 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2h94 s GLY 736 N 0.00 2.93 -0.84 1.37 0.00 -1.26 -4.81 107.32 104.71 2h94 s GLY 736 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 44.72 45.96 2h94 s GLY 736 CO 0.00 2.10 2.33 1.44 0.00 0.00 0.00 173.10 178.96 2h94 n SER 737 N 0.02 1.09 -3.34 1.64 7.64 -1.26 -1.48 113.62 117.93 2h94 n SER 737 Ca 0.04 -1.37 -0.23 0.00 1.01 0.00 0.00 58.87 58.32 2h94 n SER 737 Cb 0.41 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 62.17 2h94 n SER 737 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2h94 n SER 738 N 16.09 -3.60 -2.02 6.43 2.88 -1.26 -4.76 113.62 127.39 2h94 n SER 738 Ca 0.50 -0.37 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 2h94 n SER 738 Cb 0.38 -2.99 0.21 0.00 -0.75 0.00 0.00 64.21 61.06 2h94 n SER 738 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h94 n ALA 739 N -3.46 5.17 -3.48 -1.46 0.00 -0.55 -4.82 120.51 111.91 2h94 n ALA 739 Ca -0.02 -2.80 -0.36 0.00 0.00 0.00 0.00 53.44 50.27 2h94 n ALA 739 Cb 0.54 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 2h94 n ALA 739 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h94 s VAL 740 N -3.22 3.34 0.16 0.00 1.01 -1.26 -4.71 120.40 115.72 2h94 s VAL 740 Ca 0.55 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2h94 s VAL 740 Cb 0.46 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2h94 s VAL 740 CO 0.10 0.07 0.09 -2.65 0.00 0.00 0.00 175.10 172.71 2h94 n PRO 741 N 4.74 -1.97 -4.18 2.72 -0.02 -1.26 -5.01 135.00 130.03 2h94 n PRO 741 Ca -0.15 -0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 60.84 2h94 n PRO 741 Cb 0.46 -0.21 -0.10 0.00 -0.02 0.00 0.00 33.50 33.63 2h94 n PRO 741 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2h94 s GLN 742 N -2.98 3.78 0.08 -0.52 2.00 -1.26 -5.04 119.66 115.71 2h94 s GLN 742 Ca 0.07 -0.41 -0.33 0.00 -2.00 0.00 0.00 55.36 52.69 2h94 s GLN 742 Cb -0.01 -3.07 -0.12 0.00 0.80 0.00 0.00 33.01 30.60 2h94 s GLN 742 CO 0.06 0.31 1.73 -0.35 -0.50 0.00 0.00 175.29 176.54 2h94 n PRO 743 N 3.38 2.32 -0.18 1.67 -0.04 -1.26 -4.77 135.00 136.12 2h94 n PRO 743 Ca -0.17 0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2h94 n PRO 743 Cb 0.52 -2.67 0.01 0.00 -0.04 0.00 0.00 33.50 31.33 2h94 n PRO 743 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2h94 h LYS 744 N 7.53 1.03 -5.15 0.54 1.79 -0.98 -3.45 116.57 117.88 2h94 h LYS 744 Ca -0.46 -0.40 -0.37 0.00 -2.18 0.00 0.00 60.65 57.24 2h94 h LYS 744 Cb 1.25 -0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.70 2h94 h LYS 744 CO 0.92 1.09 -0.69 -1.21 -1.08 0.00 0.00 179.45 178.48 2h94 s GLU 745 N -4.81 1.22 -0.28 3.15 0.41 -1.02 -5.02 118.70 112.35 2h94 s GLU 745 Ca -0.12 -1.57 -0.21 0.00 -0.41 0.00 0.00 54.97 52.66 2h94 s GLU 745 Cb 0.13 -0.70 0.09 0.00 -1.78 0.00 0.00 34.13 31.87 2h94 s GLU 745 CO 0.87 0.02 0.79 0.99 -0.49 0.00 0.00 175.26 177.43 2h94 s THR 746 N -3.31 0.00 0.08 3.63 2.01 -1.26 -1.91 115.64 114.87 2h94 s THR 746 Ca 0.22 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.26 2h94 s THR 746 Cb 0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 2h94 s THR 746 CO 0.05 0.00 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.18 2h94 s VAL 747 N 0.86 0.89 -0.10 3.82 1.01 -1.01 -5.00 120.40 120.87 2h94 s VAL 747 Ca -0.04 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 2h94 s VAL 747 Cb -0.05 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.28 2h94 s VAL 747 CO -0.08 -0.42 0.20 -0.69 0.00 0.00 0.00 175.10 174.10 2h94 s VAL 748 N -1.86 -0.27 0.30 2.92 1.01 -1.26 -0.68 120.40 120.57 2h94 s VAL 748 Ca -0.00 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2h94 s VAL 748 Cb -0.07 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 2h94 s VAL 748 CO 0.01 0.12 0.71 -0.94 0.00 0.00 0.00 175.10 175.00 2h94 s SER 749 N 2.12 6.78 -0.40 3.32 1.04 -0.23 -4.99 113.70 121.34 2h94 s SER 749 Ca 0.00 1.24 0.06 0.00 0.48 0.00 0.00 55.95 57.73 2h94 s SER 749 Cb -0.12 -2.36 0.21 0.00 0.10 0.00 0.00 66.02 63.86 2h94 s SER 749 CO -0.07 -0.16 0.43 0.54 0.98 0.00 0.00 173.24 174.96 2h94 n ARG 750 N -0.22 0.44 0.27 4.02 1.74 -1.26 -4.42 116.66 117.23 2h94 n ARG 750 Ca 0.02 -3.20 0.15 0.00 -0.77 0.00 0.00 57.85 54.06 2h94 n ARG 750 Cb 0.53 -1.45 0.73 0.00 -1.02 0.00 0.00 32.46 31.25 2h94 n ARG 750 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2h94 h TRP 751 N 4.84 0.00 -0.10 -1.55 4.06 -1.91 -2.28 115.95 119.01 2h94 h TRP 751 Ca 0.17 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 2h94 h TRP 751 Cb 0.90 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.05 2h94 h TRP 751 CO 0.31 0.08 -0.06 0.00 -3.56 0.00 0.00 178.44 175.21 2h94 h ARG 752 N 0.00 0.23 -0.08 0.49 2.47 -1.87 1.34 114.38 116.97 2h94 h ARG 752 Ca -0.00 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2h94 h ARG 752 Cb 0.44 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2h94 h ARG 752 CO 0.01 0.60 0.04 0.00 0.56 0.00 0.00 179.97 181.18 2h94 h ALA 753 N 0.62 0.10 0.00 0.04 0.00 -1.89 -3.34 119.26 114.79 2h94 h ALA 753 Ca 0.02 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 2h94 h ALA 753 Cb 0.54 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2h94 h ALA 753 CO 0.02 -0.36 1.45 -3.47 0.00 0.00 0.00 179.25 176.89 2h94 n ASP 754 N -4.99 0.58 0.33 0.00 -0.08 -0.87 -4.69 116.55 106.84 2h94 n ASP 754 Ca -0.06 0.50 0.21 0.00 -1.51 0.00 0.00 54.79 53.93 2h94 n ASP 754 Cb 0.07 -0.89 1.11 0.00 2.34 0.00 0.00 41.12 43.75 2h94 n ASP 754 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2h94 h PRO 755 N 9.88 0.00 0.00 -0.67 0.11 -1.89 0.33 132.00 139.76 2h94 h PRO 755 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2h94 h PRO 755 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2h94 h PRO 755 CO 1.18 0.00 -0.94 0.91 -0.21 0.00 0.00 178.00 178.94 2h94 n TRP 756 N -3.00 0.31 0.03 0.65 5.03 -1.26 -4.67 117.44 114.53 2h94 n TRP 756 Ca -0.03 0.09 -0.00 0.00 3.03 0.00 0.00 57.50 60.59 2h94 n TRP 756 Cb 0.15 -0.47 -0.00 0.00 -1.03 0.00 0.00 31.31 29.95 2h94 n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2h94 n ALA 757 N -1.82 2.94 -2.52 6.99 0.00 -0.02 -4.77 120.51 121.31 2h94 n ALA 757 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 2h94 n ALA 757 Cb 0.43 0.31 0.01 0.00 0.00 0.00 0.00 19.45 20.21 2h94 n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h94 n ARG 758 N -3.39 -1.85 0.00 0.00 5.12 0.96 -4.09 116.66 113.41 2h94 n ARG 758 Ca -0.01 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 2h94 n ARG 758 Cb 0.16 -4.15 0.00 0.00 -1.16 0.00 0.00 32.46 27.32 2h94 n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2h94 n GLY 759 N -1.06 2.08 0.00 -0.13 0.00 0.46 -4.69 105.19 101.85 2h94 n GLY 759 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2h94 n GLY 759 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h94 n SER 760 N 0.00 0.00 -3.61 1.61 7.64 0.27 -4.79 113.62 114.74 2h94 n SER 760 Ca 0.00 0.22 -0.09 0.00 1.01 0.00 0.00 58.87 60.01 2h94 n SER 760 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2h94 n SER 760 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2h94 s TYR 761 N -0.44 0.27 1.17 1.43 -0.85 -1.25 -4.95 117.35 112.73 2h94 s TYR 761 Ca 0.00 -0.71 -0.17 0.00 -0.52 0.00 0.00 57.07 55.67 2h94 s TYR 761 Cb 0.00 0.43 0.27 0.00 0.38 0.00 0.00 41.96 43.04 2h94 s TYR 761 CO 0.00 -1.21 1.07 -1.54 -1.52 0.00 0.00 175.55 172.35 2h94 s SER 762 N -3.04 1.09 -0.12 -0.18 1.04 -1.26 -0.65 113.70 110.58 2h94 s SER 762 Ca 0.19 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.25 2h94 s SER 762 Cb -0.03 -1.39 0.12 0.00 0.10 0.00 0.00 66.02 64.82 2h94 s SER 762 CO 0.11 -4.05 0.96 -0.72 0.98 0.00 0.00 173.24 170.52 2h94 s TYR 763 N -2.82 -0.38 -0.48 5.02 -0.85 0.39 -4.68 117.35 113.56 2h94 s TYR 763 Ca 0.69 0.57 -0.29 0.00 -0.52 0.00 0.00 57.07 57.52 2h94 s TYR 763 Cb -0.15 0.47 0.03 0.00 0.38 0.00 0.00 41.96 42.69 2h94 s TYR 763 CO 0.58 -0.39 1.15 0.08 -1.52 0.00 0.00 175.55 175.45 2h94 s VAL 764 N -1.52 4.19 0.42 -3.49 1.01 -1.26 -2.27 120.40 117.47 2h94 s VAL 764 Ca -0.01 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.08 2h94 s VAL 764 Cb -0.01 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 2h94 s VAL 764 CO 0.00 -1.02 0.77 0.00 0.00 0.00 0.00 175.10 174.86 2h94 s ALA 765 N 4.51 3.36 -0.02 5.51 0.00 -1.26 -1.86 121.76 132.00 2h94 s ALA 765 Ca 0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 51.96 51.83 2h94 s ALA 765 Cb -0.07 -2.68 -0.14 0.00 0.00 0.00 0.00 23.12 20.23 2h94 s ALA 765 CO 0.32 -0.08 1.70 0.00 0.00 0.00 0.00 175.76 177.70 2h94 n ALA 766 N -1.49 0.64 0.00 0.00 0.00 -1.00 -0.41 120.51 118.24 2h94 n ALA 766 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2h94 n ALA 766 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2h94 n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h94 n GLY 767 N 3.83 2.87 0.47 0.00 0.00 -1.26 -4.94 105.19 106.16 2h94 n GLY 767 Ca 0.21 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 2h94 n GLY 767 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h94 n SER 768 N 0.49 0.03 -3.55 1.61 2.88 0.45 -5.08 113.62 110.45 2h94 n SER 768 Ca 0.00 -1.07 0.01 0.00 -1.33 0.00 0.00 58.87 56.48 2h94 n SER 768 Cb 0.00 -0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 2h94 n SER 768 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2h94 n SER 769 N -3.09 -1.26 0.05 -3.46 3.41 -1.26 -4.83 113.62 103.17 2h94 n SER 769 Ca 0.02 -1.40 0.04 0.00 -0.26 0.00 0.00 58.87 57.28 2h94 n SER 769 Cb 0.07 1.99 0.22 0.00 -0.26 0.00 0.00 64.21 66.23 2h94 n SER 769 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h94 n GLY 770 N -0.82 -0.71 0.18 5.00 0.00 -1.26 -2.36 105.19 105.22 2h94 n GLY 770 Ca 0.03 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2h94 n GLY 770 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2h94 h ASN 771 N 0.00 0.85 0.02 1.61 -1.24 -1.99 -3.24 115.58 111.59 2h94 h ASN 771 Ca 0.00 -0.71 -0.00 0.00 0.71 0.00 0.00 56.30 56.30 2h94 h ASN 771 Cb 0.06 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 2h94 h ASN 771 CO 0.00 1.51 -0.01 0.44 -1.29 0.00 0.00 177.43 178.08 2h94 h ASP 772 N 0.34 0.00 -0.13 1.15 5.19 -1.87 0.28 116.42 121.37 2h94 h ASP 772 Ca -0.14 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.11 2h94 h ASP 772 Cb 1.74 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.25 2h94 h ASP 772 CO 0.21 0.01 -0.49 1.88 -3.12 0.00 0.00 179.24 177.72 2h94 h TYR 773 N 0.00 0.87 -0.17 4.55 -1.99 -1.69 -1.39 116.97 117.15 2h94 h TYR 773 Ca -0.00 -0.29 -0.02 0.00 2.00 0.00 0.00 58.73 60.42 2h94 h TYR 773 Cb 0.02 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2h94 h TYR 773 CO 0.00 1.06 0.01 -0.44 -0.00 0.00 0.00 178.16 178.78 2h94 h ASP 774 N 0.55 0.28 -0.20 3.88 3.32 -0.60 -2.63 116.42 121.02 2h94 h ASP 774 Ca 0.02 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 56.83 2h94 h ASP 774 Cb 1.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2h94 h ASP 774 CO 0.10 0.51 0.15 -0.07 -1.72 0.00 0.00 179.24 178.21 2h94 h LEU 775 N 0.04 0.00 -0.67 1.55 3.38 -0.91 0.33 115.31 119.03 2h94 h LEU 775 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2h94 h LEU 775 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2h94 h LEU 775 CO 0.01 0.00 -0.22 0.24 0.09 0.00 0.00 178.44 178.56 2h94 h MET 776 N 0.00 0.80 -0.06 1.13 2.86 -0.90 -2.75 114.93 116.02 2h94 h MET 776 Ca 0.10 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.33 2h94 h MET 776 Cb 0.39 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2h94 h MET 776 CO -0.00 0.95 -0.36 0.00 1.06 0.00 0.00 176.91 178.56 2h94 h ALA 777 N 1.05 1.30 -1.12 6.32 0.00 -0.66 -3.43 119.26 122.73 2h94 h ALA 777 Ca 0.10 -0.35 -0.83 0.00 0.00 0.00 0.00 54.91 53.82 2h94 h ALA 777 Cb 0.74 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2h94 h ALA 777 CO 0.06 0.50 0.61 1.04 0.00 0.00 0.00 179.25 181.46 2h94 n GLN 778 N -4.09 0.24 -2.89 0.00 1.13 -0.87 -4.32 117.38 106.58 2h94 n GLN 778 Ca -0.02 0.09 -0.37 0.00 -1.94 0.00 0.00 57.00 54.77 2h94 n GLN 778 Cb 0.42 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 2h94 n GLN 778 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2h94 s PRO 779 N 2.49 4.47 -0.23 -1.09 0.04 -1.26 -4.68 135.00 134.74 2h94 s PRO 779 Ca 1.01 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 2h94 s PRO 779 Cb -1.37 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2h94 s PRO 779 CO 0.74 0.32 0.15 0.42 0.04 0.00 0.00 177.00 178.67 2h94 s ILE 780 N -1.59 5.33 -0.16 0.56 1.01 0.17 -5.00 121.20 121.51 2h94 s ILE 780 Ca 0.48 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 2h94 s ILE 780 Cb -0.18 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2h94 s ILE 780 CO 0.23 0.37 -0.03 -0.89 0.00 0.00 0.00 174.94 174.61 2h94 s THR 781 N 0.93 3.93 0.83 2.92 2.01 -1.26 -2.26 115.64 122.74 2h94 s THR 781 Ca 0.07 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 2h94 s THR 781 Cb -0.13 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.73 2h94 s THR 781 CO 0.03 0.48 1.09 -2.16 -0.69 0.00 0.00 174.62 173.37 2h94 s PRO 782 N 0.47 1.81 -1.39 4.92 0.04 -1.26 -4.99 135.00 134.60 2h94 s PRO 782 Ca -0.03 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 2h94 s PRO 782 Cb -0.14 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.62 2h94 s PRO 782 CO 0.03 -1.89 2.16 0.41 0.04 0.00 0.00 177.00 177.74 2h94 n GLY 783 N -1.27 4.61 0.00 0.56 0.00 -1.26 -4.85 105.19 102.98 2h94 n GLY 783 Ca 0.08 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2h94 n GLY 783 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2h94 n ILE 793 N 4.01 0.00 -1.76 -0.61 3.06 -1.26 -4.98 119.36 117.82 2h94 n ILE 793 Ca 0.50 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.34 2h94 n ILE 793 Cb 0.36 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.53 2h94 n ILE 793 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 2h94 n PRO 794 N 0.00 2.69 -0.01 9.51 -0.02 -1.26 -4.90 135.00 141.01 2h94 n PRO 794 Ca 0.00 0.95 -0.03 0.00 -2.02 0.00 0.00 63.50 62.40 2h94 n PRO 794 Cb 0.00 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 30.77 2h94 n PRO 794 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2h94 n ARG 795 N 1.09 0.07 -3.14 -0.52 5.12 -1.14 -4.95 116.66 113.19 2h94 n ARG 795 Ca 0.04 0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.57 2h94 n ARG 795 Cb 0.38 -0.62 -0.07 0.00 -1.16 0.00 0.00 32.46 30.99 2h94 n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2h94 s LEU 796 N -6.27 4.34 0.04 0.55 2.96 -0.96 -1.83 118.68 117.52 2h94 s LEU 796 Ca -0.05 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2h94 s LEU 796 Cb 0.02 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 2h94 s LEU 796 CO 0.06 -0.61 -0.15 -0.36 -1.32 0.00 0.00 176.35 173.97 2h94 s PHE 797 N 2.66 2.64 0.11 5.38 0.40 0.36 -0.66 117.98 128.88 2h94 s PHE 797 Ca 0.23 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.46 2h94 s PHE 797 Cb -0.15 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2h94 s PHE 797 CO 0.15 0.30 -0.26 -0.06 0.70 0.00 0.00 175.22 176.06 2h94 s PHE 798 N -0.98 2.23 0.24 0.36 0.40 -1.26 0.11 117.98 119.08 2h94 s PHE 798 Ca 0.16 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 2h94 s PHE 798 Cb -0.11 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 2h94 s PHE 798 CO 0.07 0.29 0.40 0.00 0.70 0.00 0.00 175.22 176.68 2h94 s ALA 799 N -1.03 0.11 0.00 5.36 0.00 -0.41 -4.76 121.76 121.04 2h94 s ALA 799 Ca 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2h94 s ALA 799 Cb -0.10 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.16 2h94 s ALA 799 CO 0.05 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2h94 n GLY 800 N -0.37 2.73 0.49 0.00 0.00 -1.26 -4.35 105.19 102.44 2h94 n GLY 800 Ca -0.01 -2.03 0.36 0.00 0.00 0.00 0.00 46.02 44.34 2h94 n GLY 800 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2h94 h GLU 801 N 0.00 0.12 -0.22 1.61 4.22 -1.85 0.77 114.58 119.24 2h94 h GLU 801 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2h94 h GLU 801 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2h94 h GLU 801 CO 0.00 0.08 0.00 -2.39 -2.18 0.00 0.00 179.01 174.52 2h94 n HIS 802 N -4.53 0.28 -0.10 0.92 1.44 -1.26 -2.83 115.22 109.14 2h94 n HIS 802 Ca 0.34 -0.14 -0.12 0.00 -2.01 0.00 0.00 57.72 55.79 2h94 n HIS 802 Cb 1.36 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 31.34 2h94 n HIS 802 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2h94 n THR 803 N 0.60 1.31 -3.07 0.61 -1.04 0.26 -4.62 114.28 108.33 2h94 n THR 803 Ca 0.17 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 2h94 n THR 803 Cb 0.39 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 68.06 2h94 n THR 803 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2h94 s ILE 804 N -2.46 4.76 0.19 12.58 2.07 -1.21 -4.30 121.20 132.83 2h94 s ILE 804 Ca -0.17 -0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 58.90 2h94 s ILE 804 Cb 0.06 -4.29 0.14 0.00 0.13 0.00 0.00 42.46 38.50 2h94 s ILE 804 CO 0.69 -0.75 1.67 -0.09 -1.91 0.00 0.00 174.94 174.55 2h94 h ARG 805 N 8.99 0.06 -0.81 3.50 2.43 -1.90 -1.64 114.38 125.00 2h94 h ARG 805 Ca -0.26 -0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.45 2h94 h ARG 805 Cb 1.09 -0.01 -0.26 0.00 -0.42 0.00 0.00 29.97 30.37 2h94 h ARG 805 CO 0.95 0.04 0.43 0.09 -1.51 0.00 0.00 179.97 179.96 2h94 n ASN 806 N -5.29 4.02 -0.89 -3.80 4.13 -1.26 -4.33 115.26 107.85 2h94 n ASN 806 Ca 0.05 -3.70 -0.05 0.00 1.68 0.00 0.00 54.58 52.56 2h94 n ASN 806 Cb 0.27 -0.78 -0.05 0.00 -1.54 0.00 0.00 39.78 37.67 2h94 n ASN 806 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2h94 n TYR 807 N -1.09 0.00 -0.35 3.10 4.02 -1.13 -4.82 117.16 116.88 2h94 n TYR 807 Ca 0.53 -0.39 -0.29 0.00 -0.01 0.00 0.00 57.90 57.73 2h94 n TYR 807 Cb 1.32 0.44 0.27 0.00 -0.02 0.00 0.00 39.34 41.36 2h94 n TYR 807 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2h94 n PRO 808 N 0.00 -3.73 -2.96 -0.72 -0.04 -0.63 -3.74 135.00 123.18 2h94 n PRO 808 Ca -0.22 -1.09 -0.10 0.00 -0.04 0.00 0.00 63.50 62.05 2h94 n PRO 808 Cb 0.62 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2h94 n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h94 n ALA 809 N -5.41 -1.04 -2.18 0.55 0.00 -1.13 -4.86 120.51 106.44 2h94 n ALA 809 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2h94 n ALA 809 Cb 0.57 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 2h94 n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2h94 s THR 810 N -2.31 0.10 0.13 0.00 -4.23 -1.25 -4.96 115.64 103.12 2h94 s THR 810 Ca 0.19 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 2h94 s THR 810 Cb -0.11 -2.29 -0.13 0.00 1.34 0.00 0.00 72.50 71.31 2h94 s THR 810 CO 0.23 -0.23 1.36 0.58 -0.54 0.00 0.00 174.62 176.03 2h94 h VAL 811 N 2.72 1.31 0.00 2.29 2.07 -1.91 -2.06 116.25 120.68 2h94 h VAL 811 Ca -0.36 -2.01 -0.12 0.00 0.82 0.00 0.00 66.70 65.03 2h94 h VAL 811 Cb 1.23 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2h94 h VAL 811 CO 0.57 0.63 -0.59 1.12 0.02 0.00 0.00 177.57 179.31 2h94 h HIS 812 N 0.46 0.00 -0.43 1.57 -0.00 -1.97 -0.99 115.15 113.79 2h94 h HIS 812 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.20 2h94 h HIS 812 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.75 2h94 h HIS 812 CO 0.07 0.59 -0.24 0.78 -0.00 0.00 0.00 177.93 179.13 2h94 h GLY 813 N 2.06 0.99 0.91 6.13 0.00 -1.62 0.17 103.07 111.71 2h94 h GLY 813 Ca -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 2h94 h GLY 813 CO 0.08 0.83 0.10 0.00 0.00 0.00 0.00 176.54 177.54 2h94 h ALA 814 N 0.82 0.44 -0.69 3.60 0.00 -1.15 -0.22 119.26 122.06 2h94 h ALA 814 Ca 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2h94 h ALA 814 Cb 0.81 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2h94 h ALA 814 CO 0.07 0.09 0.16 1.25 0.00 0.00 0.00 179.25 180.81 2h94 h LEU 815 N 0.39 1.05 -0.15 0.00 6.46 -0.97 0.15 115.31 122.24 2h94 h LEU 815 Ca 0.11 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2h94 h LEU 815 Cb 0.26 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2h94 h LEU 815 CO -0.00 1.01 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.76 2h94 h LEU 816 N 1.04 0.26 -1.35 2.25 3.38 -0.47 -0.95 115.31 119.46 2h94 h LEU 816 Ca 0.21 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2h94 h LEU 816 Cb 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2h94 h LEU 816 CO 0.00 0.51 0.52 0.77 0.09 0.00 0.00 178.44 180.33 2h94 h SER 817 N -0.00 0.66 0.67 -0.43 4.64 -0.78 0.15 113.55 118.46 2h94 h SER 817 Ca 0.04 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2h94 h SER 817 Cb 0.38 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2h94 h SER 817 CO 0.01 0.40 -0.49 1.23 -0.87 0.00 0.00 176.83 177.10 2h94 h GLY 818 N 0.74 -1.31 0.41 -0.77 0.00 0.01 -2.55 103.07 99.60 2h94 h GLY 818 Ca 0.36 0.56 0.10 0.00 0.00 0.00 0.00 47.33 48.36 2h94 h GLY 818 CO -0.14 -0.42 0.35 1.41 0.00 0.00 0.00 176.54 177.74 2h94 h LEU 819 N -1.12 0.43 -0.25 3.11 3.38 -0.33 -2.14 115.31 118.39 2h94 h LEU 819 Ca -0.09 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2h94 h LEU 819 Cb 0.92 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2h94 h LEU 819 CO 0.04 0.24 -0.38 -0.09 0.09 0.00 0.00 178.44 178.33 2h94 h ARG 820 N 0.58 -0.37 -0.23 1.13 2.43 -0.74 0.20 114.38 117.38 2h94 h ARG 820 Ca 0.36 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 2h94 h ARG 820 Cb 0.42 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2h94 h ARG 820 CO -0.29 -0.25 0.02 0.93 -1.51 0.00 0.00 179.97 178.87 2h94 h GLU 821 N -0.38 0.39 -0.93 0.20 4.39 -1.25 -0.19 114.58 116.81 2h94 h GLU 821 Ca 0.11 -0.11 0.24 0.00 0.34 0.00 0.00 59.36 59.94 2h94 h GLU 821 Cb 0.58 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.06 2h94 h GLU 821 CO -0.46 0.55 0.45 0.00 -1.16 0.00 0.00 179.01 178.39 2h94 h ALA 822 N 0.83 1.58 0.11 3.43 0.00 -0.78 0.51 119.26 124.94 2h94 h ALA 822 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2h94 h ALA 822 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2h94 h ALA 822 CO 0.01 -0.37 -0.05 0.78 0.00 0.00 0.00 179.25 179.61 2h94 h GLY 823 N 0.41 -0.16 -0.06 0.00 0.00 -0.59 -2.91 103.07 99.77 2h94 h GLY 823 Ca 0.60 0.06 0.13 0.00 0.00 0.00 0.00 47.33 48.13 2h94 h GLY 823 CO -0.54 -0.06 0.04 -0.09 0.00 0.00 0.00 176.54 175.89 2h94 h ARG 824 N -0.74 0.15 -0.39 4.80 2.43 0.93 -1.54 114.38 120.02 2h94 h ARG 824 Ca -0.02 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2h94 h ARG 824 Cb 0.55 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2h94 h ARG 824 CO 0.03 0.10 0.25 0.82 -1.51 0.00 0.00 179.97 179.66 2h94 h ILE 825 N 0.15 1.09 0.00 1.20 2.04 -0.15 -1.97 117.51 119.86 2h94 h ILE 825 Ca 0.34 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2h94 h ILE 825 Cb 0.55 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2h94 h ILE 825 CO -0.52 0.09 0.00 0.00 0.00 0.00 0.00 178.15 177.72 2h94 n ALA 826 N -2.21 1.92 0.08 1.87 0.00 -0.63 -1.79 120.51 119.74 2h94 n ALA 826 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.46 2h94 n ALA 826 Cb 0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2h94 n ALA 826 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h94 n ASP 827 N -1.22 0.76 -0.09 0.00 8.00 -0.75 -3.17 116.55 120.08 2h94 n ASP 827 Ca 0.08 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.66 2h94 n ASP 827 Cb 0.11 0.56 -0.12 0.00 -0.02 0.00 0.00 41.12 41.65 2h94 n ASP 827 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2h94 n GLN 828 N -2.67 0.65 -0.42 -1.24 7.27 -0.80 -3.31 117.38 116.85 2h94 n GLN 828 Ca -0.03 0.32 0.03 0.00 0.07 0.00 0.00 57.00 57.40 2h94 n GLN 828 Cb 0.61 -1.63 0.19 0.00 2.41 0.00 0.00 30.24 31.83 2h94 n GLN 828 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2h94 n PHE 829 N -3.85 0.97 0.00 3.69 3.01 -0.74 -4.60 117.46 115.94 2h94 n PHE 829 Ca -0.40 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 57.71 2h94 n PHE 829 Cb 0.90 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 2h94 n PHE 829 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2h94 n LEU 830 N 0.31 0.00 0.00 4.37 4.77 -1.21 -4.93 117.00 120.32 2h94 n LEU 830 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2h94 n LEU 830 Cb 0.68 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2h94 n LEU 830 CO 0.15 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2h94 n GLY 831 N 0.03 0.31 3.46 -0.72 0.00 -1.19 -5.03 105.19 102.05 2h94 n GLY 831 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 2h94 n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h94 s ALA 832 N -2.00 2.72 0.09 4.61 0.00 -1.26 -4.20 121.76 121.73 2h94 s ALA 832 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 2h94 s ALA 832 Cb 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 2h94 s ALA 832 CO 0.00 0.45 1.51 -1.64 0.00 0.00 0.00 175.76 176.07 2h94 s MET 833 N -0.36 4.25 0.00 0.00 -1.94 -1.26 -5.03 119.30 114.97 2h94 s MET 833 Ca 0.04 2.18 0.00 0.00 -1.71 0.00 0.00 55.69 56.20 2h94 s MET 833 Cb -0.12 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.31 2h94 s MET 833 CO 0.02 -0.59 0.00 2.48 -0.01 0.00 0.00 175.02 176.92 2h94 n TYR 834 N 4.76 -1.20 -1.45 -0.03 0.18 -1.26 -4.73 117.16 113.43 2h94 n TYR 834 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 2h94 n TYR 834 Cb 0.41 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 2h94 n TYR 834 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19