#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dw4 h GLY 173 N 0.00 -0.58 2.00 5.00 0.00 -2.02 1.32 103.07 108.80 2dw4 h GLY 173 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 2dw4 h GLY 173 CO 0.00 -0.21 -0.51 -0.39 0.00 0.00 0.00 176.54 175.43 2dw4 h VAL 174 N -0.72 1.02 -0.20 4.60 -1.51 -1.99 -1.91 116.25 115.54 2dw4 h VAL 174 Ca -0.06 -2.02 -0.15 0.00 -1.23 0.00 0.00 66.70 63.25 2dw4 h VAL 174 Cb 0.51 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 2dw4 h VAL 174 CO 0.09 0.50 -0.48 -0.08 -1.23 0.00 0.00 177.57 176.37 2dw4 h GLU 175 N 0.00 0.53 -0.40 5.19 4.81 -1.88 -2.75 114.58 120.08 2dw4 h GLU 175 Ca -0.01 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.79 2dw4 h GLU 175 Cb 1.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2dw4 h GLU 175 CO 0.07 0.90 -0.27 0.78 -0.73 0.00 0.00 179.01 179.75 2dw4 h GLY 176 N 1.09 0.92 1.01 1.92 0.00 0.22 -2.57 103.07 105.65 2dw4 h GLY 176 Ca 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 2dw4 h GLY 176 CO 0.09 0.76 0.24 0.00 0.00 0.00 0.00 176.54 177.63 2dw4 h ALA 177 N 0.97 0.83 -0.42 3.60 0.00 -1.22 0.26 119.26 123.28 2dw4 h ALA 177 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dw4 h ALA 177 Cb 0.82 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2dw4 h ALA 177 CO 0.07 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.95 2dw4 h ALA 178 N 1.10 0.54 -0.31 0.00 0.00 -1.43 -1.35 119.26 117.81 2dw4 h ALA 178 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dw4 h ALA 178 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dw4 h ALA 178 CO -0.02 0.15 0.13 0.35 0.00 0.00 0.00 179.25 179.87 2dw4 h PHE 179 N 0.53 0.47 0.00 0.00 3.57 -1.08 0.27 116.94 120.71 2dw4 h PHE 179 Ca 0.14 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2dw4 h PHE 179 Cb 0.19 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2dw4 h PHE 179 CO -0.00 0.44 0.00 0.37 -2.23 0.00 0.00 178.31 176.89 2dw4 h GLN 180 N 0.36 0.00 -0.67 1.11 5.75 -0.35 -1.47 115.11 119.84 2dw4 h GLN 180 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2dw4 h GLN 180 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2dw4 h GLN 180 CO -0.01 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 176.60 2dw4 n SER 181 N -2.81 4.38 -2.39 -0.69 7.64 -0.46 -4.31 113.62 114.99 2dw4 n SER 181 Ca -0.01 -2.26 -0.20 0.00 1.01 0.00 0.00 58.87 57.42 2dw4 n SER 181 Cb 0.16 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2dw4 n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dw4 n ARG 182 N 1.31 -2.45 -4.54 1.43 1.74 -0.55 -5.01 116.66 108.58 2dw4 n ARG 182 Ca 0.25 0.91 -0.26 0.00 -0.77 0.00 0.00 57.85 57.98 2dw4 n ARG 182 Cb 0.77 -5.53 -0.14 0.00 -1.02 0.00 0.00 32.46 26.54 2dw4 n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dw4 s LEU 183 N -5.76 2.23 0.09 0.55 1.43 0.84 -5.01 118.68 113.05 2dw4 s LEU 183 Ca 0.08 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 52.26 2dw4 s LEU 183 Cb -0.04 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 2dw4 s LEU 183 CO 0.10 0.15 1.22 -2.16 0.23 0.00 0.00 176.35 175.89 2dw4 s PRO 184 N -1.55 4.43 0.28 1.29 0.04 -1.26 -3.39 135.00 134.84 2dw4 s PRO 184 Ca 0.09 1.82 0.25 0.00 0.04 0.00 0.00 61.00 63.20 2dw4 s PRO 184 Cb -0.10 -3.32 0.95 0.00 0.04 0.00 0.00 34.50 32.08 2dw4 s PRO 184 CO 0.03 -0.24 1.75 1.12 0.04 0.00 0.00 177.00 179.70 2dw4 h HIS 185 N 6.53 0.00 -0.11 0.56 2.07 -1.89 -3.31 115.15 119.00 2dw4 h HIS 185 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2dw4 h HIS 185 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2dw4 h HIS 185 CO 0.66 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.12 2dw4 n ASP 186 N -2.36 2.73 -3.70 3.10 5.75 -1.26 -4.89 116.55 115.92 2dw4 n ASP 186 Ca 0.03 -2.67 -0.09 0.00 -0.01 0.00 0.00 54.79 52.04 2dw4 n ASP 186 Cb 0.30 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 2dw4 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dw4 s ARG 187 N -2.18 1.53 -0.03 0.11 1.70 -1.25 -5.09 118.95 113.75 2dw4 s ARG 187 Ca 0.26 -0.81 -0.13 0.00 -0.47 0.00 0.00 55.73 54.58 2dw4 s ARG 187 Cb 0.21 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 35.12 2dw4 s ARG 187 CO 0.06 -0.68 0.36 -1.64 -1.08 0.00 0.00 175.30 172.31 2dw4 s MET 188 N -3.86 3.86 0.74 3.89 -1.94 -1.26 -4.67 119.30 116.05 2dw4 s MET 188 Ca 0.08 0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 54.25 2dw4 s MET 188 Cb -0.03 -3.23 0.03 0.00 2.01 0.00 0.00 34.83 33.61 2dw4 s MET 188 CO -0.01 0.68 1.08 0.95 -0.01 0.00 0.00 175.02 177.70 2dw4 s THR 189 N -0.97 3.61 0.23 2.05 -4.23 -1.26 -4.85 115.64 110.21 2dw4 s THR 189 Ca 0.22 0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2dw4 s THR 189 Cb -0.16 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.57 2dw4 s THR 189 CO 0.11 -0.68 1.86 -1.28 -0.54 0.00 0.00 174.62 174.09 2dw4 h SER 190 N -0.85 0.83 -0.62 3.99 0.87 -1.99 -1.32 113.55 114.46 2dw4 h SER 190 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 2dw4 h SER 190 Cb 1.24 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 2dw4 h SER 190 CO 0.59 0.56 0.33 -0.61 -0.53 0.00 0.00 176.83 177.17 2dw4 h GLN 191 N 0.98 0.90 -0.28 2.24 4.15 -2.00 -2.16 115.11 118.94 2dw4 h GLN 191 Ca 0.34 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 2dw4 h GLN 191 Cb 0.07 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2dw4 h GLN 191 CO -0.14 0.68 -0.24 0.93 -1.93 0.00 0.00 178.83 178.14 2dw4 h GLU 192 N 0.91 0.66 -0.93 1.69 5.08 -1.73 -2.59 114.58 117.67 2dw4 h GLU 192 Ca 0.23 -0.33 0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2dw4 h GLU 192 Cb 0.06 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 2dw4 h GLU 192 CO -0.03 0.94 0.55 0.00 -1.00 0.00 0.00 179.01 179.46 2dw4 h ALA 193 N 0.71 1.41 -0.14 3.43 0.00 -0.72 0.51 119.26 124.46 2dw4 h ALA 193 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dw4 h ALA 193 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2dw4 h ALA 193 CO 0.06 0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.42 2dw4 h ALA 194 N 1.55 0.18 0.00 0.00 0.00 -1.30 -2.29 119.26 117.40 2dw4 h ALA 194 Ca 0.48 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2dw4 h ALA 194 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dw4 h ALA 194 CO -0.31 -0.19 -0.27 0.00 0.00 0.00 0.00 179.25 178.48 2dw4 n PHE 196 N -3.34 2.74 0.33 0.00 3.01 0.17 -4.91 117.46 115.46 2dw4 n PHE 196 Ca 0.01 -3.81 0.21 0.00 1.01 0.00 0.00 57.45 54.87 2dw4 n PHE 196 Cb 0.49 -0.43 1.11 0.00 -0.01 0.00 0.00 39.48 40.65 2dw4 n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dw4 h PRO 197 N 2.95 0.00 0.00 -1.08 0.13 -1.52 -0.48 132.00 132.00 2dw4 h PRO 197 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 2dw4 h PRO 197 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2dw4 h PRO 197 CO 0.71 0.00 -0.54 0.38 -0.23 0.00 0.00 178.00 178.32 2dw4 h ASP 198 N 0.00 0.00 0.07 1.44 2.03 -1.90 -2.77 116.42 115.30 2dw4 h ASP 198 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 2dw4 h ASP 198 Cb 0.16 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.67 2dw4 h ASP 198 CO -0.00 0.32 -0.58 0.40 -1.03 0.00 0.00 179.24 178.35 2dw4 h ILE 199 N 0.00 1.54 -0.08 4.15 1.08 -1.47 -3.29 117.51 119.45 2dw4 h ILE 199 Ca -0.02 -2.43 -0.00 0.00 -0.39 0.00 0.00 64.86 62.02 2dw4 h ILE 199 Cb 1.26 3.17 -0.00 0.00 -3.07 0.00 0.00 36.82 38.18 2dw4 h ILE 199 CO 0.04 0.65 0.05 0.40 -0.69 0.00 0.00 178.15 178.59 2dw4 h ILE 200 N -0.66 1.05 -1.27 -0.67 1.08 -1.59 -2.99 117.51 112.47 2dw4 h ILE 200 Ca -0.12 -0.15 -0.57 0.00 -0.39 0.00 0.00 64.86 63.64 2dw4 h ILE 200 Cb 1.37 1.01 -0.19 0.00 -3.07 0.00 0.00 36.82 35.95 2dw4 h ILE 200 CO 0.06 0.05 0.65 -1.54 -0.69 0.00 0.00 178.15 176.68 2dw4 n SER 201 N -5.01 6.78 -1.55 1.72 3.41 -1.04 -4.89 113.62 113.04 2dw4 n SER 201 Ca -0.06 -3.33 -0.04 0.00 -0.26 0.00 0.00 58.87 55.18 2dw4 n SER 201 Cb 0.05 -1.21 -0.00 0.00 -0.26 0.00 0.00 64.21 62.79 2dw4 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dw4 n GLY 202 N 0.64 2.54 3.68 5.00 0.00 -1.13 -4.88 105.19 111.04 2dw4 n GLY 202 Ca 0.51 -1.35 -0.57 0.00 0.00 0.00 0.00 46.02 44.61 2dw4 n GLY 202 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dw4 n PRO 203 N -0.16 1.20 0.10 1.61 -0.02 -1.26 -4.79 135.00 131.67 2dw4 n PRO 203 Ca -0.01 0.43 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 2dw4 n PRO 203 Cb 0.17 -2.16 0.74 0.00 -0.02 0.00 0.00 33.50 32.23 2dw4 n PRO 203 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2dw4 h GLN 204 N 7.80 0.00 -0.04 -0.52 -0.00 -1.93 0.64 115.11 121.06 2dw4 h GLN 204 Ca -0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 2dw4 h GLN 204 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.79 2dw4 h GLN 204 CO 0.97 0.00 -0.17 0.37 -0.00 0.00 0.00 178.83 180.00 2dw4 h GLN 205 N 0.00 0.06 -0.02 0.06 5.75 -1.97 -1.69 115.11 117.31 2dw4 h GLN 205 Ca 0.19 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.44 2dw4 h GLN 205 Cb 1.08 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.63 2dw4 h GLN 205 CO -0.00 0.24 -0.94 1.15 -2.65 0.00 0.00 178.83 176.62 2dw4 h THR 206 N 0.06 1.36 -0.83 2.39 2.02 -0.06 -2.92 112.91 114.92 2dw4 h THR 206 Ca 0.01 -2.33 0.02 0.00 0.77 0.00 0.00 66.41 64.88 2dw4 h THR 206 Cb 0.34 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 2dw4 h THR 206 CO 0.02 0.71 0.55 1.56 0.37 0.00 0.00 175.52 178.73 2dw4 h GLN 207 N 0.30 1.07 -0.26 6.66 4.20 -1.18 0.10 115.11 126.01 2dw4 h GLN 207 Ca -0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2dw4 h GLN 207 Cb 1.57 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 2dw4 h GLN 207 CO 0.17 0.71 0.04 -0.22 -0.67 0.00 0.00 178.83 178.86 2dw4 h LYS 208 N 1.10 0.37 -0.01 1.46 1.63 -1.30 0.11 116.57 119.92 2dw4 h LYS 208 Ca 0.31 -0.06 -0.23 0.00 -0.85 0.00 0.00 60.65 59.82 2dw4 h LYS 208 Cb -0.08 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.49 2dw4 h LYS 208 CO -0.08 0.37 -0.95 0.28 -3.45 0.00 0.00 179.45 175.62 2dw4 h VAL 209 N 0.37 1.36 -0.02 2.00 2.07 -1.00 -2.52 116.25 118.50 2dw4 h VAL 209 Ca 0.09 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.27 2dw4 h VAL 209 Cb 0.18 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2dw4 h VAL 209 CO -0.00 0.71 0.01 0.15 0.02 0.00 0.00 177.57 178.46 2dw4 h PHE 210 N 0.30 0.03 -0.82 1.57 3.57 -0.08 -1.21 116.94 120.31 2dw4 h PHE 210 Ca -0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2dw4 h PHE 210 Cb 1.58 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.27 2dw4 h PHE 210 CO 0.07 0.16 0.44 -0.07 -2.23 0.00 0.00 178.31 176.69 2dw4 h LEU 211 N -0.11 1.02 -0.32 0.59 3.38 -0.86 0.88 115.31 119.90 2dw4 h LEU 211 Ca 0.01 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2dw4 h LEU 211 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dw4 h LEU 211 CO -0.00 0.83 -0.22 0.15 0.09 0.00 0.00 178.44 179.29 2dw4 h PHE 212 N 1.15 0.83 -0.43 1.13 3.57 -1.34 0.12 116.94 121.97 2dw4 h PHE 212 Ca 0.29 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2dw4 h PHE 212 Cb 0.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2dw4 h PHE 212 CO 0.01 0.95 0.13 0.82 -2.23 0.00 0.00 178.31 177.99 2dw4 h ILE 213 N 0.47 1.22 0.00 1.41 2.04 -0.89 0.21 117.51 121.97 2dw4 h ILE 213 Ca 0.06 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2dw4 h ILE 213 Cb 0.77 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2dw4 h ILE 213 CO 0.06 0.26 -0.03 -0.09 0.00 0.00 0.00 178.15 178.35 2dw4 h ARG 214 N 0.56 -0.06 -0.73 2.37 1.12 -0.74 0.27 114.38 117.17 2dw4 h ARG 214 Ca 0.14 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.97 2dw4 h ARG 214 Cb 0.27 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.21 2dw4 h ARG 214 CO -0.00 -0.04 0.27 -0.91 -3.11 0.00 0.00 179.97 176.18 2dw4 h ASN 215 N -0.06 1.02 -0.31 -3.80 2.35 -0.51 -1.73 115.58 112.54 2dw4 h ASN 215 Ca 0.01 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.43 2dw4 h ASN 215 Cb 0.07 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2dw4 h ASN 215 CO -0.03 0.92 -0.44 -0.09 -1.65 0.00 0.00 177.43 176.14 2dw4 h ARG 216 N 1.07 0.88 -0.62 0.81 9.65 -0.39 -1.42 114.38 124.37 2dw4 h ARG 216 Ca 0.24 -0.50 -0.03 0.00 -1.10 0.00 0.00 59.98 58.59 2dw4 h ARG 216 Cb 0.24 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 2dw4 h ARG 216 CO -0.02 1.14 0.25 1.15 2.80 0.00 0.00 179.97 185.29 2dw4 h THR 217 N 0.70 1.23 -0.69 0.20 2.02 -0.74 0.13 112.91 115.77 2dw4 h THR 217 Ca 0.04 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2dw4 h THR 217 Cb 1.04 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2dw4 h THR 217 CO 0.10 0.28 0.25 -0.07 0.37 0.00 0.00 175.52 176.46 2dw4 h LEU 218 N 0.86 0.95 -0.34 2.58 3.38 -1.25 -2.02 115.31 119.46 2dw4 h LEU 218 Ca 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2dw4 h LEU 218 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2dw4 h LEU 218 CO -0.02 0.87 0.10 -0.61 0.09 0.00 0.00 178.44 178.87 2dw4 h GLN 219 N 1.01 0.54 -0.83 1.13 4.15 -0.59 0.27 115.11 120.78 2dw4 h GLN 219 Ca 0.23 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.56 2dw4 h GLN 219 Cb 0.23 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 2dw4 h GLN 219 CO -0.02 0.57 0.54 -0.07 -1.93 0.00 0.00 178.83 177.92 2dw4 h LEU 220 N 0.40 0.89 0.14 -2.39 3.38 -0.69 0.18 115.31 117.22 2dw4 h LEU 220 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dw4 h LEU 220 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dw4 h LEU 220 CO -0.00 0.62 -0.07 -0.25 0.09 0.00 0.00 178.44 178.83 2dw4 h TRP 221 N 1.05 -0.17 0.00 1.13 2.91 -1.06 -3.13 115.95 116.67 2dw4 h TRP 221 Ca 0.33 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.34 2dw4 h TRP 221 Cb -0.00 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2dw4 h TRP 221 CO -0.02 0.13 -0.05 -0.07 -1.03 0.00 0.00 178.44 177.40 2dw4 h LEU 222 N -0.47 0.00 -0.40 0.65 3.38 -0.02 -1.29 115.31 117.16 2dw4 h LEU 222 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dw4 h LEU 222 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dw4 h LEU 222 CO 0.03 0.05 -0.12 0.44 0.09 0.00 0.00 178.44 178.93 2dw4 h ASP 223 N 0.00 0.00 -0.96 -0.43 5.19 -0.93 -3.39 116.42 115.91 2dw4 h ASP 223 Ca -0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 2dw4 h ASP 223 Cb 0.12 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.38 2dw4 h ASP 223 CO 0.01 0.12 -0.77 -3.20 -3.12 0.00 0.00 179.24 172.28 2dw4 n ASN 224 N -3.16 -1.54 0.00 6.45 5.15 -0.54 -4.99 115.26 116.63 2dw4 n ASN 224 Ca 0.03 -3.01 0.11 0.00 -0.60 0.00 0.00 54.58 51.11 2dw4 n ASN 224 Cb 0.51 0.71 0.64 0.00 -0.53 0.00 0.00 39.78 41.12 2dw4 n ASN 224 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dw4 n PRO 225 N 1.62 0.72 0.00 1.20 -0.04 -0.85 -3.25 135.00 134.40 2dw4 n PRO 225 Ca 0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 2dw4 n PRO 225 Cb 0.58 -1.47 0.59 0.00 -0.04 0.00 0.00 33.50 33.15 2dw4 n PRO 225 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dw4 n LYS 226 N -0.97 1.14 -4.27 0.54 5.02 -1.26 -4.60 118.16 113.76 2dw4 n LYS 226 Ca 0.16 -0.53 -0.17 0.00 -2.02 0.00 0.00 58.31 55.75 2dw4 n LYS 226 Cb 0.07 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 2dw4 n LYS 226 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2dw4 s ILE 227 N -2.22 0.66 0.26 -0.18 -1.16 -1.20 -0.90 121.20 116.46 2dw4 s ILE 227 Ca 0.35 -0.52 -0.31 0.00 -0.51 0.00 0.00 60.65 59.66 2dw4 s ILE 227 Cb 0.21 -0.59 -0.11 0.00 0.61 0.00 0.00 42.46 42.57 2dw4 s ILE 227 CO 0.41 0.07 1.63 -1.58 -2.81 0.00 0.00 174.94 172.66 2dw4 s GLN 228 N -0.50 4.13 -0.48 3.50 0.74 -0.24 -4.86 119.66 121.95 2dw4 s GLN 228 Ca 0.01 2.56 -0.16 0.00 0.05 0.00 0.00 55.36 57.83 2dw4 s GLN 228 Cb -0.05 -3.05 0.08 0.00 1.10 0.00 0.00 33.01 31.09 2dw4 s GLN 228 CO 0.00 -0.66 0.43 -1.17 -0.55 0.00 0.00 175.29 173.34 2dw4 s LEU 229 N 0.12 5.64 0.64 3.68 2.96 -1.26 -4.86 118.68 125.60 2dw4 s LEU 229 Ca 0.67 -1.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 2dw4 s LEU 229 Cb -0.48 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.01 2dw4 s LEU 229 CO 0.42 -0.70 0.99 0.42 -1.32 0.00 0.00 176.35 176.16 2dw4 s THR 230 N 1.73 3.58 0.11 3.68 -4.23 -1.26 -4.91 115.64 114.34 2dw4 s THR 230 Ca 0.05 0.21 -0.21 0.00 -1.18 0.00 0.00 61.69 60.57 2dw4 s THR 230 Cb -0.25 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 2dw4 s THR 230 CO 0.07 -0.54 1.74 0.15 -0.54 0.00 0.00 174.62 175.50 2dw4 h PHE 231 N -0.39 0.20 -0.25 3.99 3.57 -1.97 -1.07 116.94 121.03 2dw4 h PHE 231 Ca -0.45 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.11 2dw4 h PHE 231 Cb 1.25 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 2dw4 h PHE 231 CO 0.48 0.16 -0.20 1.49 -2.23 0.00 0.00 178.31 178.01 2dw4 h GLU 232 N 0.18 -0.19 -0.14 1.11 4.81 -1.99 -0.69 114.58 117.66 2dw4 h GLU 232 Ca 0.06 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2dw4 h GLU 232 Cb 0.01 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2dw4 h GLU 232 CO -0.01 -0.13 -0.22 0.00 -0.73 0.00 0.00 179.01 177.92 2dw4 h ALA 233 N 0.91 1.37 -0.29 2.92 0.00 -1.91 -1.31 119.26 120.95 2dw4 h ALA 233 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2dw4 h ALA 233 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dw4 h ALA 233 CO -0.36 0.43 0.04 1.15 0.00 0.00 0.00 179.25 180.51 2dw4 h THR 234 N 0.22 1.24 -0.81 0.00 2.02 -0.51 -2.55 112.91 112.53 2dw4 h THR 234 Ca 0.04 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2dw4 h THR 234 Cb 0.52 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2dw4 h THR 234 CO 0.04 0.27 0.42 0.25 0.37 0.00 0.00 175.52 176.86 2dw4 h LEU 235 N 0.31 1.04 -1.38 2.58 5.85 -0.78 -1.77 115.31 121.15 2dw4 h LEU 235 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2dw4 h LEU 235 Cb 0.36 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2dw4 h LEU 235 CO 0.01 0.86 0.00 1.56 -0.34 0.00 0.00 178.44 180.53 2dw4 h GLN 236 N 1.14 0.00 0.00 1.25 4.20 -1.12 -3.11 115.11 117.47 2dw4 h GLN 236 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2dw4 h GLN 236 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2dw4 h GLN 236 CO -0.04 0.00 -1.23 1.04 -0.67 0.00 0.00 178.83 177.93 2dw4 n GLN 237 N -3.07 0.15 -2.56 1.46 6.02 -0.97 -4.92 117.38 113.49 2dw4 n GLN 237 Ca 0.01 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 2dw4 n GLN 237 Cb 0.31 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 2dw4 n GLN 237 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dw4 s LEU 238 N -3.35 3.86 0.29 1.08 1.43 -0.70 -5.04 118.68 116.24 2dw4 s LEU 238 Ca 0.04 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 2dw4 s LEU 238 Cb 0.16 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 2dw4 s LEU 238 CO 0.88 -0.75 0.43 -1.83 0.23 0.00 0.00 176.35 175.30 2dw4 s GLU 239 N -3.19 3.37 0.47 1.70 1.03 -1.26 -4.53 118.70 116.29 2dw4 s GLU 239 Ca 0.67 -0.73 -0.25 0.00 0.03 0.00 0.00 54.97 54.70 2dw4 s GLU 239 Cb -0.16 -2.82 -0.08 0.00 -0.80 0.00 0.00 34.13 30.27 2dw4 s GLU 239 CO 0.20 0.28 1.43 0.00 -1.33 0.00 0.00 175.26 175.84 2dw4 s ALA 240 N -2.10 3.16 -0.70 -0.84 0.00 -1.26 -1.87 121.76 118.16 2dw4 s ALA 240 Ca 0.38 1.46 0.25 0.00 0.00 0.00 0.00 51.96 54.05 2dw4 s ALA 240 Cb -0.09 -3.60 0.55 0.00 0.00 0.00 0.00 23.12 19.98 2dw4 s ALA 240 CO 0.31 -1.26 1.51 -0.35 0.00 0.00 0.00 175.76 175.97 2dw4 n PRO 241 N -0.37 0.27 -0.32 0.00 -0.04 -1.26 -4.87 135.00 128.40 2dw4 n PRO 241 Ca 0.06 0.13 0.21 0.00 -0.04 0.00 0.00 63.50 63.86 2dw4 n PRO 241 Cb 0.42 -1.72 0.43 0.00 -0.04 0.00 0.00 33.50 32.59 2dw4 n PRO 241 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2dw4 h TYR 242 N 0.00 0.70 0.00 0.54 0.05 -1.76 0.31 116.97 116.82 2dw4 h TYR 242 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2dw4 h TYR 242 Cb 0.73 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2dw4 h TYR 242 CO 0.00 -0.23 0.00 0.27 -1.05 0.00 0.00 178.16 177.15 2dw4 n ASN 243 N -5.15 0.00 -0.00 3.88 2.04 -1.04 -1.91 115.26 113.08 2dw4 n ASN 243 Ca 0.29 -0.30 0.09 0.00 -0.44 0.00 0.00 54.58 54.22 2dw4 n ASN 243 Cb 0.92 -0.04 -0.14 0.00 -2.53 0.00 0.00 39.78 37.99 2dw4 n ASN 243 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2dw4 n SER 244 N -1.04 0.14 -3.77 0.53 7.64 0.11 -4.53 113.62 112.70 2dw4 n SER 244 Ca 0.08 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 2dw4 n SER 244 Cb 0.05 1.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 2dw4 n SER 244 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dw4 n ASP 245 N -2.38 6.32 -0.24 6.43 -0.08 -0.80 -4.78 116.55 121.01 2dw4 n ASP 245 Ca -0.06 -3.24 0.05 0.00 -1.51 0.00 0.00 54.79 50.03 2dw4 n ASP 245 Cb 0.63 -1.38 0.17 0.00 2.34 0.00 0.00 41.12 42.88 2dw4 n ASP 245 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dw4 h THR 246 N 3.24 0.46 -0.60 5.18 2.02 -1.79 -1.92 112.91 119.50 2dw4 h THR 246 Ca 0.45 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 2dw4 h THR 246 Cb 0.51 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2dw4 h THR 246 CO 1.49 0.04 0.26 0.58 0.37 0.00 0.00 175.52 178.26 2dw4 h VAL 247 N 0.20 1.22 -0.42 3.16 2.07 -1.97 -0.70 116.25 119.82 2dw4 h VAL 247 Ca 0.40 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2dw4 h VAL 247 Cb 0.70 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2dw4 h VAL 247 CO -0.55 0.27 -0.22 0.25 0.02 0.00 0.00 177.57 177.34 2dw4 h LEU 248 N 0.83 0.92 -0.34 2.57 6.46 -1.86 -1.98 115.31 121.91 2dw4 h LEU 248 Ca 0.20 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2dw4 h LEU 248 Cb 0.17 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 2dw4 h LEU 248 CO -0.02 1.12 0.20 0.58 -0.62 0.00 0.00 178.44 179.70 2dw4 h VAL 249 N 0.71 1.12 -0.75 1.05 2.07 -1.22 -0.82 116.25 118.42 2dw4 h VAL 249 Ca 0.09 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2dw4 h VAL 249 Cb 0.79 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2dw4 h VAL 249 CO 0.06 0.12 0.46 -0.74 0.02 0.00 0.00 177.57 177.49 2dw4 h HIS 250 N 0.43 0.86 -0.39 1.57 -0.00 -0.93 0.47 115.15 117.16 2dw4 h HIS 250 Ca 0.12 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 2dw4 h HIS 250 Cb 0.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 2dw4 h HIS 250 CO -0.04 0.47 -0.05 0.00 -0.00 0.00 0.00 177.93 178.31 2dw4 h ARG 251 N 0.88 0.65 -0.14 5.26 3.08 -0.88 -0.54 114.38 122.69 2dw4 h ARG 251 Ca 0.31 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 2dw4 h ARG 251 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2dw4 h ARG 251 CO -0.13 0.71 -0.39 0.28 -1.07 0.00 0.00 179.97 179.36 2dw4 h VAL 252 N 0.61 1.36 -0.54 2.04 2.07 -0.28 -2.32 116.25 119.18 2dw4 h VAL 252 Ca 0.12 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 2dw4 h VAL 252 Cb 0.46 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2dw4 h VAL 252 CO 0.02 0.51 0.18 -0.74 0.02 0.00 0.00 177.57 177.56 2dw4 h HIS 253 N 0.13 0.86 -0.88 1.57 -0.00 -0.83 -0.61 115.15 115.39 2dw4 h HIS 253 Ca -0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.25 2dw4 h HIS 253 Cb 1.01 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 28.13 2dw4 h HIS 253 CO 0.10 0.73 0.46 0.77 -0.00 0.00 0.00 177.93 179.99 2dw4 h SER 254 N 0.74 1.12 0.17 3.26 0.02 -1.12 -1.32 113.55 116.43 2dw4 h SER 254 Ca 0.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2dw4 h SER 254 Cb 0.27 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2dw4 h SER 254 CO -0.01 0.91 -0.08 0.22 -1.14 0.00 0.00 176.83 176.73 2dw4 h TYR 255 N 1.24 -0.22 -0.87 3.45 5.03 -1.09 -0.92 116.97 123.59 2dw4 h TYR 255 Ca 0.31 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.69 2dw4 h TYR 255 Cb 0.06 0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.35 2dw4 h TYR 255 CO 0.01 0.08 0.57 -0.07 -1.32 0.00 0.00 178.16 177.43 2dw4 h LEU 256 N -0.52 0.83 -0.05 2.82 3.38 -0.96 -2.26 115.31 118.55 2dw4 h LEU 256 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2dw4 h LEU 256 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2dw4 h LEU 256 CO 0.04 0.52 -0.10 -0.08 0.09 0.00 0.00 178.44 178.92 2dw4 h GLU 257 N 0.94 0.16 -0.53 1.13 4.81 -1.19 0.71 114.58 120.61 2dw4 h GLU 257 Ca 0.38 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2dw4 h GLU 257 Cb 0.27 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2dw4 h GLU 257 CO -0.15 0.67 0.35 -0.09 -0.73 0.00 0.00 179.01 179.07 2dw4 h ARG 258 N -0.34 0.48 -0.37 1.92 9.65 -0.84 -1.60 114.38 123.29 2dw4 h ARG 258 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2dw4 h ARG 258 Cb 0.66 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2dw4 h ARG 258 CO 0.02 0.32 0.00 0.72 2.80 0.00 0.00 179.97 183.83 2dw4 n HIS 259 N -4.47 0.48 -1.90 2.20 8.25 -0.88 -3.93 115.22 114.97 2dw4 n HIS 259 Ca 0.07 -0.24 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 2dw4 n HIS 259 Cb 0.23 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2dw4 n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dw4 n GLY 260 N 1.39 0.31 0.14 -1.41 0.00 -0.60 -4.66 105.19 100.35 2dw4 n GLY 260 Ca 0.19 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.71 2dw4 n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dw4 h LEU 261 N 0.00 0.00 -8.60 0.99 3.38 -1.11 -3.43 115.31 106.53 2dw4 h LEU 261 Ca -0.19 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.51 2dw4 h LEU 261 Cb 0.98 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 2dw4 h LEU 261 CO 0.24 0.16 -0.67 0.27 0.09 0.00 0.00 178.44 178.53 2dw4 s ILE 262 N -3.20 0.71 -1.27 1.22 -4.36 -1.17 -4.90 121.20 108.23 2dw4 s ILE 262 Ca 0.01 -1.97 -0.13 0.00 -0.26 0.00 0.00 60.65 58.30 2dw4 s ILE 262 Cb 0.08 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.79 2dw4 s ILE 262 CO 0.76 -0.59 0.61 0.59 0.24 0.00 0.00 174.94 176.55 2dw4 n ASN 263 N -0.19 -2.95 -4.47 4.36 3.02 -1.26 -4.59 115.26 109.18 2dw4 n ASN 263 Ca -0.08 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 2dw4 n ASN 263 Cb 0.62 -3.07 -0.11 0.00 -0.61 0.00 0.00 39.78 36.62 2dw4 n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2dw4 s PHE 264 N -3.69 2.06 0.00 3.10 -0.71 -1.26 -4.94 117.98 112.53 2dw4 s PHE 264 Ca 0.26 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.32 2dw4 s PHE 264 Cb -0.10 -1.33 0.00 0.00 -1.21 0.00 0.00 43.02 40.38 2dw4 s PHE 264 CO 0.88 0.16 0.00 0.41 -1.34 0.00 0.00 175.22 175.33 2dw4 n GLY 265 N -0.71 0.54 3.20 1.99 0.00 -1.26 -4.73 105.19 104.22 2dw4 n GLY 265 Ca -0.04 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 2dw4 n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dw4 s ILE 266 N 0.00 2.42 0.09 -0.61 1.09 -1.26 -5.00 121.20 117.94 2dw4 s ILE 266 Ca 0.00 -0.83 -0.23 0.00 -1.10 0.00 0.00 60.65 58.48 2dw4 s ILE 266 Cb 0.00 -2.02 0.06 0.00 -1.06 0.00 0.00 42.46 39.44 2dw4 s ILE 266 CO 0.00 0.52 0.57 -0.72 -0.10 0.00 0.00 174.94 175.21 2dw4 s TYR 267 N 1.08 -0.50 0.09 3.97 1.13 -1.26 -4.70 117.35 117.15 2dw4 s TYR 267 Ca -0.00 0.45 -0.31 0.00 -1.41 0.00 0.00 57.07 55.80 2dw4 s TYR 267 Cb -0.14 0.45 -0.07 0.00 -1.10 0.00 0.00 41.96 41.10 2dw4 s TYR 267 CO -0.06 -0.75 1.27 0.15 -2.51 0.00 0.00 175.55 173.66 2dw4 s LYS 268 N -3.02 4.39 0.45 -3.49 1.02 -0.08 -4.79 119.74 114.23 2dw4 s LYS 268 Ca -0.02 1.88 -0.18 0.00 0.02 0.00 0.00 55.97 57.67 2dw4 s LYS 268 Cb -0.00 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 2dw4 s LYS 268 CO -0.06 -0.31 0.93 1.03 -0.92 0.00 0.00 175.35 176.01 2dw4 s ARG 269 N 1.02 4.05 -0.13 1.68 0.52 -1.26 -1.08 118.95 123.75 2dw4 s ARG 269 Ca 0.61 0.95 0.22 0.00 -0.52 0.00 0.00 55.73 56.99 2dw4 s ARG 269 Cb -0.32 -2.20 0.46 0.00 0.52 0.00 0.00 34.95 33.41 2dw4 s ARG 269 CO 0.30 -0.12 1.16 0.44 0.02 0.00 0.00 175.30 177.10 2dw4 n ILE 270 N -1.08 0.82 0.00 1.52 -5.35 -1.26 -4.90 119.36 109.11 2dw4 n ILE 270 Ca 0.06 -2.10 0.00 0.00 -0.27 0.00 0.00 62.75 60.44 2dw4 n ILE 270 Cb 0.54 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 2dw4 n ILE 270 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2dw4 n LYS 271 N -0.12 0.00 0.00 6.28 4.81 -1.26 -5.10 118.16 122.77 2dw4 n LYS 271 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2dw4 n LYS 271 Cb 0.97 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.02 2dw4 n LYS 271 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2dw4 n PRO 272 N -0.08 0.00 -0.77 1.64 -0.04 -1.26 -5.03 135.00 129.46 2dw4 n PRO 272 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dw4 n PRO 272 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2dw4 n PRO 272 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2dw4 n LEU 273 N 0.00 -1.03 -3.60 1.53 0.00 -1.26 -4.97 117.00 107.67 2dw4 n LEU 273 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 56.01 55.52 2dw4 n LEU 273 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 43.42 43.07 2dw4 n LEU 273 CO 0.00 0.00 0.58 -2.65 0.00 0.00 0.00 177.39 175.32 2dw4 n PRO 274 N -0.75 0.00 0.25 1.96 -0.02 -1.26 -4.81 135.00 130.37 2dw4 n PRO 274 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 2dw4 n PRO 274 Cb 0.26 -1.18 0.78 0.00 -0.02 0.00 0.00 33.50 33.33 2dw4 n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dw4 h THR 275 N 2.81 0.72 -3.37 3.45 1.03 -2.00 -3.40 112.91 112.14 2dw4 h THR 275 Ca -0.39 0.00 -0.55 0.00 -0.01 0.00 0.00 66.41 65.46 2dw4 h THR 275 Cb 1.11 0.96 -0.04 0.00 -1.07 0.00 0.00 68.15 69.10 2dw4 h THR 275 CO 0.59 0.00 0.08 -1.59 -0.01 0.00 0.00 175.52 174.58 2dw4 s LYS 276 N -4.83 4.41 -0.08 0.00 0.00 -1.26 -5.07 119.74 112.90 2dw4 s LYS 276 Ca -0.05 0.91 0.03 0.00 0.00 0.00 0.00 55.97 56.87 2dw4 s LYS 276 Cb 0.16 -3.34 -0.01 0.00 0.00 0.00 0.00 37.83 34.64 2dw4 s LYS 276 CO 0.61 0.36 -0.19 0.15 0.00 0.00 0.00 175.35 176.27 2dw4 s LYS 277 N -0.24 2.88 -0.22 1.78 1.02 -1.26 -4.93 119.74 118.76 2dw4 s LYS 277 Ca 0.35 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 2dw4 s LYS 277 Cb -0.20 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2dw4 s LYS 277 CO 0.20 0.34 0.04 0.99 -0.92 0.00 0.00 175.35 176.00 2dw4 s THR 278 N -0.02 4.21 0.13 2.17 2.01 -0.57 -4.82 115.64 118.74 2dw4 s THR 278 Ca -0.06 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2dw4 s THR 278 Cb -0.15 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2dw4 s THR 278 CO 0.05 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2dw4 n GLY 279 N 4.47 -3.28 3.23 4.40 0.00 -1.26 -4.09 105.19 108.65 2dw4 n GLY 279 Ca -0.17 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 2dw4 n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dw4 s LYS 280 N -5.12 3.14 -0.05 1.61 2.47 -1.26 -0.52 119.74 120.01 2dw4 s LYS 280 Ca 0.00 -0.79 0.04 0.00 -1.56 0.00 0.00 55.97 53.66 2dw4 s LYS 280 Cb 0.00 -2.54 -0.00 0.00 -1.46 0.00 0.00 37.83 33.83 2dw4 s LYS 280 CO 0.00 0.02 -0.17 0.54 0.16 0.00 0.00 175.35 175.90 2dw4 s VAL 281 N 0.77 1.41 -0.16 4.02 0.11 0.22 -0.53 120.40 126.25 2dw4 s VAL 281 Ca -0.07 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.22 2dw4 s VAL 281 Cb -0.16 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2dw4 s VAL 281 CO -0.00 0.41 0.08 -0.63 -3.33 0.00 0.00 175.10 171.62 2dw4 s ILE 282 N 0.13 4.93 -0.21 7.04 -1.09 -0.58 -2.29 121.20 129.13 2dw4 s ILE 282 Ca -0.06 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 2dw4 s ILE 282 Cb -0.12 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2dw4 s ILE 282 CO 0.03 0.50 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.53 2dw4 s ILE 283 N -0.02 3.04 -0.34 2.92 1.01 0.38 -0.85 121.20 127.34 2dw4 s ILE 283 Ca 0.07 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 2dw4 s ILE 283 Cb -0.12 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.98 2dw4 s ILE 283 CO 0.01 0.44 0.67 -0.63 0.00 0.00 0.00 174.94 175.43 2dw4 s ILE 284 N 1.43 4.86 0.00 2.92 1.01 0.05 -0.43 121.20 131.04 2dw4 s ILE 284 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.45 2dw4 s ILE 284 Cb -0.14 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2dw4 s ILE 284 CO -0.06 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.20 2dw4 n GLY 285 N 4.55 1.66 2.21 6.18 0.00 0.27 -1.38 105.19 118.69 2dw4 n GLY 285 Ca -0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 2dw4 n GLY 285 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dw4 n SER 286 N -0.03 5.75 -2.22 1.61 2.88 -1.26 -4.37 113.62 115.98 2dw4 n SER 286 Ca 0.00 -3.76 -0.03 0.00 -1.33 0.00 0.00 58.87 53.75 2dw4 n SER 286 Cb 0.00 -0.56 0.02 0.00 -0.75 0.00 0.00 64.21 62.92 2dw4 n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dw4 n GLY 287 N -0.72 -0.54 0.36 0.46 0.00 -1.26 -1.65 105.19 101.84 2dw4 n GLY 287 Ca 0.49 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 2dw4 n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dw4 h VAL 288 N -0.86 1.22 -0.22 1.61 2.07 -1.95 0.17 116.25 118.30 2dw4 h VAL 288 Ca -0.04 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2dw4 h VAL 288 Cb 0.12 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2dw4 h VAL 288 CO 0.03 0.22 0.03 0.77 0.02 0.00 0.00 177.57 178.64 2dw4 h SER 289 N 1.16 0.35 -0.48 0.57 4.64 -1.91 -0.09 113.55 117.79 2dw4 h SER 289 Ca 0.31 -0.27 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2dw4 h SER 289 Cb -0.11 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2dw4 h SER 289 CO -0.07 0.53 0.09 1.23 -0.87 0.00 0.00 176.83 177.75 2dw4 h GLY 290 N 0.16 0.85 0.96 -0.77 0.00 -1.67 -1.44 103.07 101.15 2dw4 h GLY 290 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2dw4 h GLY 290 CO 0.01 0.51 0.19 1.41 0.00 0.00 0.00 176.54 178.66 2dw4 h LEU 291 N 0.67 0.44 -0.47 3.11 3.38 -0.62 -0.38 115.31 121.43 2dw4 h LEU 291 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2dw4 h LEU 291 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2dw4 h LEU 291 CO 0.01 0.41 0.26 0.00 0.09 0.00 0.00 178.44 179.21 2dw4 h ALA 292 N 1.05 0.61 -0.59 1.53 0.00 -0.86 -1.86 119.26 119.13 2dw4 h ALA 292 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2dw4 h ALA 292 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2dw4 h ALA 292 CO -0.02 0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.55 2dw4 h ALA 293 N 1.11 0.77 0.10 0.00 0.00 -1.15 -2.71 119.26 117.38 2dw4 h ALA 293 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dw4 h ALA 293 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2dw4 h ALA 293 CO -0.03 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 2dw4 h ALA 294 N 1.06 -0.14 -0.98 0.00 0.00 -0.74 -0.73 119.26 117.74 2dw4 h ALA 294 Ca 0.19 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2dw4 h ALA 294 Cb 0.27 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2dw4 h ALA 294 CO -0.01 -0.57 0.63 0.00 0.00 0.00 0.00 179.25 179.30 2dw4 h ARG 295 N -0.15 1.08 0.15 0.00 3.08 -1.30 0.24 114.38 117.47 2dw4 h ARG 295 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2dw4 h ARG 295 Cb 0.12 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2dw4 h ARG 295 CO 0.02 0.71 -0.07 1.96 -1.07 0.00 0.00 179.97 181.52 2dw4 h GLN 296 N 1.11 -0.19 -0.70 0.04 1.08 -1.14 -1.14 115.11 114.17 2dw4 h GLN 296 Ca 0.44 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.70 2dw4 h GLN 296 Cb 0.24 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 2dw4 h GLN 296 CO -0.19 -0.02 0.42 -0.07 -0.95 0.00 0.00 178.83 178.01 2dw4 h LEU 297 N -0.32 0.67 -0.24 1.46 4.07 -0.66 -0.75 115.31 119.54 2dw4 h LEU 297 Ca -0.02 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 2dw4 h LEU 297 Cb 0.25 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2dw4 h LEU 297 CO 0.03 0.45 0.02 -0.61 -1.08 0.00 0.00 178.44 177.25 2dw4 h GLN 298 N 0.80 0.41 0.00 1.13 4.15 -0.92 -1.37 115.11 119.32 2dw4 h GLN 298 Ca 0.30 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2dw4 h GLN 298 Cb 0.10 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2dw4 h GLN 298 CO -0.14 0.57 0.00 0.66 -1.93 0.00 0.00 178.83 177.99 2dw4 h SER 299 N 0.19 0.00 0.49 -0.69 4.64 -0.83 0.24 113.55 117.60 2dw4 h SER 299 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2dw4 h SER 299 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2dw4 h SER 299 CO 0.01 0.00 -0.20 0.49 -0.87 0.00 0.00 176.83 176.26 2dw4 n PHE 300 N -3.00 0.00 -0.60 4.77 3.72 -0.32 -4.93 117.46 117.10 2dw4 n PHE 300 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2dw4 n PHE 300 Cb 0.18 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2dw4 n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dw4 n GLY 301 N 1.38 0.97 3.97 1.37 0.00 0.83 -4.99 105.19 108.72 2dw4 n GLY 301 Ca 0.11 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 2dw4 n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dw4 s MET 302 N -1.45 3.27 -0.31 1.61 -1.94 -0.56 -1.51 119.30 118.41 2dw4 s MET 302 Ca 0.00 -0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 53.03 2dw4 s MET 302 Cb 0.00 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 2dw4 s MET 302 CO 0.00 0.17 0.43 0.34 -0.01 0.00 0.00 175.02 175.95 2dw4 s ASP 303 N -4.09 6.28 -0.00 3.03 -1.08 0.32 -4.44 116.67 116.68 2dw4 s ASP 303 Ca 0.41 0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.58 2dw4 s ASP 303 Cb -0.09 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2dw4 s ASP 303 CO 0.32 -0.32 -0.12 0.54 0.52 0.00 0.00 175.17 176.11 2dw4 s VAL 304 N 2.19 0.93 -0.03 1.11 0.11 -1.26 -0.61 120.40 122.83 2dw4 s VAL 304 Ca 0.16 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 2dw4 s VAL 304 Cb -0.16 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2dw4 s VAL 304 CO 0.11 0.23 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.14 2dw4 s THR 305 N -0.33 0.76 -0.17 5.04 2.01 -0.97 -4.37 115.64 117.63 2dw4 s THR 305 Ca 0.04 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 2dw4 s THR 305 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2dw4 s THR 305 CO -0.00 0.25 0.09 -0.76 -0.69 0.00 0.00 174.62 173.51 2dw4 s LEU 306 N 0.39 4.00 -0.26 4.42 1.02 -0.58 -0.47 118.68 127.20 2dw4 s LEU 306 Ca -0.06 0.19 -0.06 0.00 0.02 0.00 0.00 54.13 54.22 2dw4 s LEU 306 Cb -0.11 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 44.10 2dw4 s LEU 306 CO 0.01 0.23 0.03 -0.76 0.02 0.00 0.00 176.35 175.88 2dw4 s LEU 307 N 0.02 3.44 -0.15 1.79 1.43 0.42 -0.77 118.68 124.85 2dw4 s LEU 307 Ca 0.07 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2dw4 s LEU 307 Cb -0.12 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2dw4 s LEU 307 CO 0.00 -0.10 -0.21 -0.70 0.23 0.00 0.00 176.35 175.57 2dw4 s GLU 308 N 1.50 3.02 0.28 1.70 2.56 -0.21 -0.56 118.70 126.99 2dw4 s GLU 308 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 54.97 54.18 2dw4 s GLU 308 Cb -0.16 -2.49 0.42 0.00 2.00 0.00 0.00 34.13 33.90 2dw4 s GLU 308 CO 0.00 -0.08 1.78 0.00 -0.56 0.00 0.00 175.26 176.40 2dw4 h ALA 309 N 7.53 1.17 -2.13 6.30 0.00 -1.72 0.30 119.26 130.70 2dw4 h ALA 309 Ca -0.37 -0.27 -0.44 0.00 0.00 0.00 0.00 54.91 53.82 2dw4 h ALA 309 Cb 1.17 -0.16 0.16 0.00 0.00 0.00 0.00 17.79 18.96 2dw4 h ALA 309 CO 0.58 0.53 0.36 1.03 0.00 0.00 0.00 179.25 181.75 2dw4 s ARG 310 N -4.84 0.47 -0.43 0.00 0.52 -1.26 -3.48 118.95 109.93 2dw4 s ARG 310 Ca -0.08 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2dw4 s ARG 310 Cb 0.15 -1.81 0.67 0.00 0.52 0.00 0.00 34.95 34.48 2dw4 s ARG 310 CO 0.79 -2.56 1.88 -0.40 0.02 0.00 0.00 175.30 175.04 2dw4 n ASP 311 N -3.91 3.80 -3.64 0.23 3.85 -1.26 -0.32 116.55 115.29 2dw4 n ASP 311 Ca 0.13 -3.58 -0.08 0.00 -0.71 0.00 0.00 54.79 50.56 2dw4 n ASP 311 Cb 0.60 -0.82 -0.02 0.00 -1.35 0.00 0.00 41.12 39.53 2dw4 n ASP 311 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2dw4 s ARG 312 N -3.26 1.33 0.41 0.11 1.70 -1.26 -4.97 118.95 113.00 2dw4 s ARG 312 Ca 0.56 -0.64 0.08 0.00 -0.47 0.00 0.00 55.73 55.26 2dw4 s ARG 312 Cb 0.47 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 35.37 2dw4 s ARG 312 CO 0.11 -0.60 0.52 0.14 -1.08 0.00 0.00 175.30 174.39 2dw4 s VAL 313 N -3.58 3.11 0.00 4.99 -7.23 -1.26 -4.73 120.40 111.71 2dw4 s VAL 313 Ca 0.07 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2dw4 s VAL 313 Cb -0.03 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2dw4 s VAL 313 CO -0.03 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2dw4 n GLY 314 N -1.77 1.78 7.00 2.32 0.00 -0.66 -4.92 105.19 108.95 2dw4 n GLY 314 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2dw4 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dw4 n GLY 315 N -0.21 2.36 0.00 -0.02 0.00 -1.26 -0.51 105.19 105.55 2dw4 n GLY 315 Ca 0.00 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.51 2dw4 n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dw4 n ARG 316 N 5.80 0.93 -3.51 1.61 1.74 -1.26 -4.26 116.66 117.70 2dw4 n ARG 316 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2dw4 n ARG 316 Cb 0.00 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2dw4 n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dw4 s VAL 317 N -2.00 5.10 -0.14 1.55 1.01 0.34 -1.68 120.40 124.58 2dw4 s VAL 317 Ca 0.35 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2dw4 s VAL 317 Cb 0.16 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2dw4 s VAL 317 CO 0.27 -0.20 0.12 0.00 0.00 0.00 0.00 175.10 175.29 2dw4 s ALA 318 N 1.66 0.18 -0.15 5.51 0.00 -1.26 -4.57 121.76 123.13 2dw4 s ALA 318 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2dw4 s ALA 318 Cb -0.18 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2dw4 s ALA 318 CO 0.09 -0.97 0.01 0.99 0.00 0.00 0.00 175.76 175.88 2dw4 s THR 319 N 2.20 4.31 -0.14 0.00 2.01 -1.26 -0.56 115.64 122.19 2dw4 s THR 319 Ca 0.04 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2dw4 s THR 319 Cb -0.15 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2dw4 s THR 319 CO -0.08 0.50 0.57 0.12 -0.69 0.00 0.00 174.62 175.04 2dw4 s PHE 320 N 0.16 3.47 -0.08 4.92 5.36 0.12 -4.96 117.98 126.98 2dw4 s PHE 320 Ca 0.01 0.96 -0.02 0.00 -0.96 0.00 0.00 56.93 56.92 2dw4 s PHE 320 Cb -0.13 -2.68 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2dw4 s PHE 320 CO 0.02 0.03 0.03 1.03 -1.46 0.00 0.00 175.22 174.87 2dw4 s ARG 321 N 1.12 0.31 -0.20 10.12 0.52 -1.26 -1.65 118.95 127.91 2dw4 s ARG 321 Ca 0.29 0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.55 2dw4 s ARG 321 Cb -0.16 -0.96 0.07 0.00 0.52 0.00 0.00 34.95 34.42 2dw4 s ARG 321 CO 0.12 -0.37 0.46 0.21 0.02 0.00 0.00 175.30 175.74 2dw4 s LYS 322 N 2.05 0.42 7.31 3.54 2.20 -0.65 -5.03 119.74 129.59 2dw4 s LYS 322 Ca 0.04 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2dw4 s LYS 322 Cb -0.13 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2dw4 s LYS 322 CO -0.05 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2dw4 n GLY 323 N 4.63 3.60 0.66 5.54 0.00 -1.26 -0.06 105.19 118.29 2dw4 n GLY 323 Ca -0.18 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 45.90 2dw4 n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dw4 n ASN 324 N 5.02 2.05 -4.70 1.61 3.02 -1.26 -4.92 115.26 116.08 2dw4 n ASN 324 Ca 0.00 -1.68 -0.41 0.00 -0.03 0.00 0.00 54.58 52.46 2dw4 n ASN 324 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 2dw4 n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dw4 s TYR 325 N -2.01 3.57 -0.04 3.10 2.02 0.91 -4.83 117.35 120.08 2dw4 s TYR 325 Ca 0.34 1.43 0.02 0.00 -0.37 0.00 0.00 57.07 58.49 2dw4 s TYR 325 Cb 0.21 -2.98 0.01 0.00 -0.40 0.00 0.00 41.96 38.80 2dw4 s TYR 325 CO 0.33 -0.03 -0.08 0.08 -1.57 0.00 0.00 175.55 174.27 2dw4 s VAL 326 N 1.22 0.75 -0.26 0.71 1.01 -1.26 -1.63 120.40 120.94 2dw4 s VAL 326 Ca 0.43 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2dw4 s VAL 326 Cb -0.19 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.57 2dw4 s VAL 326 CO 0.20 0.25 0.73 0.00 0.00 0.00 0.00 175.10 176.29 2dw4 s ALA 327 N 0.45 -1.79 -0.25 5.51 0.00 -0.66 -4.98 121.76 120.05 2dw4 s ALA 327 Ca -0.07 1.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.73 2dw4 s ALA 327 Cb -0.11 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2dw4 s ALA 327 CO 0.01 -0.34 0.38 -0.51 0.00 0.00 0.00 175.76 175.30 2dw4 s ASP 328 N 0.31 6.32 0.18 0.00 1.01 -1.26 0.10 116.67 123.32 2dw4 s ASP 328 Ca -0.00 0.37 0.23 0.00 0.71 0.00 0.00 52.55 53.86 2dw4 s ASP 328 Cb -0.05 -2.22 0.16 0.00 1.01 0.00 0.00 42.92 41.83 2dw4 s ASP 328 CO 0.01 -0.14 1.19 -0.07 0.21 0.00 0.00 175.17 176.37 2dw4 h LEU 329 N 8.25 0.00 0.00 1.23 -0.00 -1.21 -3.47 115.31 120.11 2dw4 h LEU 329 Ca -0.33 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2dw4 h LEU 329 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2dw4 h LEU 329 CO 0.67 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.77 2dw4 n GLY 330 N 1.25 2.54 3.71 0.83 0.00 -1.16 -4.80 105.19 107.56 2dw4 n GLY 330 Ca 0.02 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2dw4 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dw4 n ALA 331 N -3.00 1.53 0.00 4.61 0.00 -0.67 -4.87 120.51 118.11 2dw4 n ALA 331 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2dw4 n ALA 331 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2dw4 n ALA 331 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2dw4 n MET 332 N 0.80 2.20 -4.34 0.00 0.00 -1.26 -4.72 117.12 109.80 2dw4 n MET 332 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.40 2dw4 n MET 332 Cb 0.36 -0.62 -0.10 0.00 0.00 0.00 0.00 33.22 32.86 2dw4 n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2dw4 s VAL 333 N -0.98 4.34 -0.35 1.12 1.01 -1.26 -3.14 120.40 121.14 2dw4 s VAL 333 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2dw4 s VAL 333 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2dw4 s VAL 333 CO 0.00 0.58 0.20 -0.69 0.00 0.00 0.00 175.10 175.20 2dw4 s VAL 334 N -0.68 4.76 -1.18 2.92 1.01 0.30 -4.95 120.40 122.58 2dw4 s VAL 334 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2dw4 s VAL 334 Cb -0.12 -3.54 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 2dw4 s VAL 334 CO 0.02 -0.09 3.07 0.35 0.00 0.00 0.00 175.10 178.45 2dw4 n THR 335 N 5.02 3.87 0.00 3.92 -2.24 -1.26 -0.86 114.28 122.73 2dw4 n THR 335 Ca -0.13 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 2dw4 n THR 335 Cb 0.48 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 2dw4 n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dw4 n GLY 336 N 3.32 0.15 0.08 3.38 0.00 -1.22 -4.37 105.19 106.54 2dw4 n GLY 336 Ca 0.68 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 2dw4 n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dw4 n LEU 337 N -0.39 0.86 -4.55 0.99 4.77 -1.10 -4.54 117.00 113.04 2dw4 n LEU 337 Ca 0.00 0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 56.07 2dw4 n LEU 337 Cb 0.00 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2dw4 n LEU 337 CO 0.00 0.33 1.87 0.61 -1.33 0.00 0.00 177.39 178.86 2dw4 n GLY 338 N 1.52 0.10 0.34 -0.72 0.00 0.13 -0.66 105.19 105.90 2dw4 n GLY 338 Ca -0.15 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2dw4 n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dw4 n GLY 339 N 6.18 0.46 3.64 -0.02 0.00 -1.26 -2.50 105.19 111.68 2dw4 n GLY 339 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2dw4 n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dw4 s ASN 340 N -2.63 6.84 0.63 1.61 3.84 0.17 -4.55 114.94 120.84 2dw4 s ASN 340 Ca 0.00 1.00 0.40 0.00 0.21 0.00 0.00 52.86 54.47 2dw4 s ASN 340 Cb 0.00 -2.45 2.12 0.00 -0.55 0.00 0.00 41.25 40.36 2dw4 s ASN 340 CO 0.00 -0.59 2.28 1.55 -2.79 0.00 0.00 177.10 177.55 2dw4 h PRO 341 N 7.78 0.00 0.00 0.43 0.13 -1.87 0.70 132.00 139.18 2dw4 h PRO 341 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2dw4 h PRO 341 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dw4 h PRO 341 CO 0.90 0.01 0.00 0.52 -0.23 0.00 0.00 178.00 179.21 2dw4 h MET 342 N 0.00 0.00 -0.51 0.86 2.86 -1.93 -1.72 114.93 114.48 2dw4 h MET 342 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2dw4 h MET 342 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2dw4 h MET 342 CO 0.00 0.00 -0.09 0.00 1.06 0.00 0.00 176.91 177.88 2dw4 h ALA 343 N 2.12 0.86 0.09 6.32 0.00 -1.14 0.18 119.26 127.69 2dw4 h ALA 343 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dw4 h ALA 343 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dw4 h ALA 343 CO 0.00 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 2dw4 h VAL 344 N 0.85 1.14 -0.79 0.00 2.07 -1.48 -2.77 116.25 115.27 2dw4 h VAL 344 Ca 0.14 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.79 2dw4 h VAL 344 Cb 0.63 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2dw4 h VAL 344 CO 0.04 0.22 0.49 0.58 0.02 0.00 0.00 177.57 178.92 2dw4 h VAL 345 N -0.55 1.06 -0.95 2.57 2.07 -1.36 -1.02 116.25 118.06 2dw4 h VAL 345 Ca -0.01 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.29 2dw4 h VAL 345 Cb 0.45 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 2dw4 h VAL 345 CO 0.02 0.17 0.59 -1.28 0.02 0.00 0.00 177.57 177.09 2dw4 h SER 346 N 0.91 0.89 -0.43 0.57 0.87 -0.63 -1.35 113.55 114.38 2dw4 h SER 346 Ca 0.33 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2dw4 h SER 346 Cb 0.11 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2dw4 h SER 346 CO -0.15 0.51 -0.23 0.11 -0.53 0.00 0.00 176.83 176.55 2dw4 h LYS 347 N 0.99 0.92 -0.65 2.24 1.57 -0.94 -1.59 116.57 119.11 2dw4 h LYS 347 Ca 0.45 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2dw4 h LYS 347 Cb 0.36 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2dw4 h LYS 347 CO -0.23 1.06 0.18 1.96 -0.57 0.00 0.00 179.45 181.86 2dw4 h GLN 348 N 0.75 0.99 -0.15 3.15 4.20 -0.22 -3.09 115.11 120.74 2dw4 h GLN 348 Ca 0.09 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2dw4 h GLN 348 Cb 0.80 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2dw4 h GLN 348 CO 0.07 0.86 0.00 1.33 -0.67 0.00 0.00 178.83 180.42 2dw4 n VAL 349 N -4.26 0.17 -3.67 -0.54 0.24 -0.63 -4.98 118.33 104.65 2dw4 n VAL 349 Ca 0.05 -0.58 -0.23 0.00 -2.04 0.00 0.00 64.34 61.54 2dw4 n VAL 349 Cb 0.23 1.32 0.05 0.00 -1.47 0.00 0.00 33.84 33.97 2dw4 n VAL 349 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dw4 n ASN 350 N 1.37 -3.02 -4.68 -1.34 5.03 -0.65 -4.94 115.26 107.02 2dw4 n ASN 350 Ca 0.16 -0.72 -0.40 0.00 0.87 0.00 0.00 54.58 54.48 2dw4 n ASN 350 Cb 0.59 -4.42 -0.05 0.00 -1.02 0.00 0.00 39.78 34.88 2dw4 n ASN 350 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dw4 s MET 351 N -6.04 4.31 -0.06 3.52 0.23 -0.88 -5.02 119.30 115.37 2dw4 s MET 351 Ca 0.25 0.78 -0.30 0.00 -1.03 0.00 0.00 55.69 55.39 2dw4 s MET 351 Cb -0.12 -3.53 -0.04 0.00 -1.53 0.00 0.00 34.83 29.62 2dw4 s MET 351 CO 0.78 -0.15 1.26 -1.21 -2.03 0.00 0.00 175.02 173.68 2dw4 s GLU 352 N 1.56 4.32 0.05 3.16 0.41 -1.26 -4.86 118.70 122.08 2dw4 s GLU 352 Ca 0.33 1.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.69 2dw4 s GLU 352 Cb -0.16 -3.59 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 2dw4 s GLU 352 CO 0.13 -0.51 -0.07 -0.51 -0.49 0.00 0.00 175.26 173.81 2dw4 s LEU 353 N 2.42 3.16 -0.01 1.80 1.43 -1.26 -1.95 118.68 124.28 2dw4 s LEU 353 Ca 0.58 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2dw4 s LEU 353 Cb -0.26 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2dw4 s LEU 353 CO 0.22 0.23 0.02 0.00 0.23 0.00 0.00 176.35 177.05 2dw4 s ALA 354 N -1.12 -0.03 0.55 4.21 0.00 -0.50 -4.93 121.76 119.95 2dw4 s ALA 354 Ca 0.20 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 2dw4 s ALA 354 Cb -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2dw4 s ALA 354 CO 0.11 -0.03 1.18 0.15 0.00 0.00 0.00 175.76 177.17 2dw4 s LYS 355 N 0.21 3.23 -0.25 0.00 1.02 -1.26 -0.33 119.74 122.36 2dw4 s LYS 355 Ca -0.02 1.75 -0.09 0.00 0.02 0.00 0.00 55.97 57.63 2dw4 s LYS 355 Cb -0.02 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2dw4 s LYS 355 CO -0.01 -0.98 0.13 0.42 -0.92 0.00 0.00 175.35 174.00 2dw4 s ILE 356 N -1.65 5.01 0.21 2.17 1.01 -1.04 -4.82 121.20 122.09 2dw4 s ILE 356 Ca 0.74 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 2dw4 s ILE 356 Cb -0.28 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2dw4 s ILE 356 CO 0.31 0.33 1.21 -0.54 0.00 0.00 0.00 174.94 176.25 2dw4 s LYS 357 N 1.31 4.49 0.20 2.79 1.02 -1.26 -4.87 119.74 123.42 2dw4 s LYS 357 Ca 0.06 1.92 0.08 0.00 0.02 0.00 0.00 55.97 58.05 2dw4 s LYS 357 Cb -0.15 -3.21 0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2dw4 s LYS 357 CO 0.06 -0.07 1.46 1.96 -0.92 0.00 0.00 175.35 177.84 2dw4 h GLN 358 N 4.87 0.03 -6.13 1.68 4.20 -1.99 -3.43 115.11 114.35 2dw4 h GLN 358 Ca -0.45 -0.03 -0.71 0.00 0.06 0.00 0.00 58.65 57.52 2dw4 h GLN 358 Cb 1.21 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.01 2dw4 h GLN 358 CO 0.73 0.80 1.05 1.17 -0.67 0.00 0.00 178.83 181.91 2dw4 n LYS 359 N -3.63 1.29 -3.63 1.46 4.81 -1.26 -4.92 118.16 112.28 2dw4 n LYS 359 Ca -0.01 0.45 -0.28 0.00 -0.87 0.00 0.00 58.31 57.60 2dw4 n LYS 359 Cb 0.76 -2.25 -0.12 0.00 0.02 0.00 0.00 35.03 33.44 2dw4 n LYS 359 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dw4 s PRO 361 N -0.04 3.85 -0.05 0.00 0.04 -1.25 -4.60 135.00 132.95 2dw4 s PRO 361 Ca 0.24 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2dw4 s PRO 361 Cb -0.12 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2dw4 s PRO 361 CO -0.09 -0.66 -0.03 -0.51 0.04 0.00 0.00 177.00 175.74 2dw4 s LEU 362 N -2.51 3.36 -0.05 -3.56 1.02 -1.26 -0.74 118.68 114.94 2dw4 s LEU 362 Ca 0.58 0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.79 2dw4 s LEU 362 Cb -0.43 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 43.98 2dw4 s LEU 362 CO 0.55 0.34 -0.18 -0.31 0.02 0.00 0.00 176.35 176.77 2dw4 s TYR 363 N -0.91 1.87 0.95 0.29 1.51 -0.34 0.20 117.35 120.92 2dw4 s TYR 363 Ca 0.15 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 2dw4 s TYR 363 Cb -0.11 -1.26 0.16 0.00 -0.11 0.00 0.00 41.96 40.64 2dw4 s TYR 363 CO 0.04 -0.21 1.12 -1.21 -1.11 0.00 0.00 175.55 174.18 2dw4 s GLU 364 N 0.10 0.83 0.58 -0.62 2.02 0.02 -0.99 118.70 120.64 2dw4 s GLU 364 Ca -0.06 0.40 0.31 0.00 0.02 0.00 0.00 54.97 55.64 2dw4 s GLU 364 Cb -0.13 -1.79 1.71 0.00 0.10 0.00 0.00 34.13 34.01 2dw4 s GLU 364 CO 0.03 -2.43 1.95 0.00 0.02 0.00 0.00 175.26 174.83 2dw4 h ALA 365 N -1.67 1.17 -0.01 5.21 0.00 -1.80 0.23 119.26 122.38 2dw4 h ALA 365 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2dw4 h ALA 365 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dw4 h ALA 365 CO 0.60 -0.17 -0.27 0.27 0.00 0.00 0.00 179.25 179.68 2dw4 n ASN 366 N -2.75 1.34 0.00 0.00 0.23 -1.26 -4.96 115.26 107.86 2dw4 n ASN 366 Ca -0.02 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 2dw4 n ASN 366 Cb 0.23 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2dw4 n ASN 366 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dw4 n GLY 367 N 1.34 1.53 3.77 4.83 0.00 0.81 -4.85 105.19 112.62 2dw4 n GLY 367 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2dw4 n GLY 367 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dw4 s GLN 368 N -0.93 4.53 0.46 1.61 -2.07 -1.26 -4.56 119.66 117.44 2dw4 s GLN 368 Ca 0.00 1.50 -0.22 0.00 -1.82 0.00 0.00 55.36 54.81 2dw4 s GLN 368 Cb 0.00 -2.89 -0.07 0.00 -1.09 0.00 0.00 33.01 28.95 2dw4 s GLN 368 CO 0.00 0.20 1.13 0.00 -1.32 0.00 0.00 175.29 175.30 2dw4 s ALA 369 N -1.46 2.94 -0.07 2.60 0.00 -1.26 -0.80 121.76 123.71 2dw4 s ALA 369 Ca 0.49 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 53.06 2dw4 s ALA 369 Cb -0.23 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2dw4 s ALA 369 CO 0.30 -0.58 0.79 0.08 0.00 0.00 0.00 175.76 176.34 2dw4 s VAL 370 N -1.62 4.98 0.79 0.00 1.01 0.13 -4.86 120.40 120.82 2dw4 s VAL 370 Ca 0.64 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 64.10 2dw4 s VAL 370 Cb -0.26 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.07 2dw4 s VAL 370 CO 0.31 0.19 1.21 -2.84 0.00 0.00 0.00 175.10 173.97 2dw4 s PRO 371 N 1.11 1.74 0.11 2.72 0.02 -1.26 -4.71 135.00 134.72 2dw4 s PRO 371 Ca 0.41 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.93 2dw4 s PRO 371 Cb -0.18 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 2dw4 s PRO 371 CO 0.19 -2.14 1.65 -0.22 -0.33 0.00 0.00 177.00 176.15 2dw4 h LYS 372 N -0.77 -0.38 -0.43 5.54 3.64 -1.99 -1.23 116.57 120.95 2dw4 h LYS 372 Ca -0.47 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.03 2dw4 h LYS 372 Cb 1.30 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.13 2dw4 h LYS 372 CO 0.47 -0.26 -0.08 0.93 -2.27 0.00 0.00 179.45 178.24 2dw4 h GLU 373 N -0.40 0.02 -0.12 1.90 5.08 -2.00 -1.57 114.58 117.50 2dw4 h GLU 373 Ca 0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dw4 h GLU 373 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dw4 h GLU 373 CO -0.12 0.01 0.08 0.87 -1.00 0.00 0.00 179.01 178.85 2dw4 h LYS 374 N 0.02 0.16 -0.29 2.33 1.79 -1.89 -1.64 116.57 117.05 2dw4 h LYS 374 Ca 0.21 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.73 2dw4 h LYS 374 Cb 0.31 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.85 2dw4 h LYS 374 CO -0.42 0.14 -0.38 0.22 -1.08 0.00 0.00 179.45 177.93 2dw4 h ASP 375 N 0.14 -1.24 -0.32 0.86 1.82 -0.58 -0.85 116.42 116.26 2dw4 h ASP 375 Ca 0.04 0.19 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 2dw4 h ASP 375 Cb 0.02 0.54 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 2dw4 h ASP 375 CO -0.01 -0.37 -0.03 -0.33 -1.61 0.00 0.00 179.24 176.89 2dw4 h GLU 376 N -0.36 0.69 0.60 0.28 5.08 -1.27 -0.84 114.58 118.77 2dw4 h GLU 376 Ca 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2dw4 h GLU 376 Cb 0.58 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2dw4 h GLU 376 CO -0.49 0.73 -0.36 1.98 -1.00 0.00 0.00 179.01 179.87 2dw4 h MET 377 N 0.65 -0.87 -0.48 2.33 4.05 -0.47 -1.08 114.93 119.06 2dw4 h MET 377 Ca 0.13 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2dw4 h MET 377 Cb 0.45 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 2dw4 h MET 377 CO 0.02 -0.58 0.29 0.28 0.23 0.00 0.00 176.91 177.15 2dw4 h VAL 378 N -0.91 1.15 -0.94 -5.77 2.07 -1.09 -2.01 116.25 108.75 2dw4 h VAL 378 Ca -0.07 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2dw4 h VAL 378 Cb 0.73 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2dw4 h VAL 378 CO 0.08 0.15 0.62 -0.08 0.02 0.00 0.00 177.57 178.36 2dw4 h GLU 379 N 0.64 1.13 -0.42 1.57 4.81 -1.05 0.84 114.58 122.10 2dw4 h GLU 379 Ca 0.17 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2dw4 h GLU 379 Cb -0.01 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 2dw4 h GLU 379 CO -0.03 0.75 0.24 0.37 -0.73 0.00 0.00 179.01 179.61 2dw4 h GLN 380 N 1.17 0.59 -0.80 1.92 4.15 -0.73 -0.88 115.11 120.52 2dw4 h GLN 380 Ca 0.38 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 2dw4 h GLN 380 Cb 0.04 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 2dw4 h GLN 380 CO -0.12 0.46 0.34 0.93 -1.93 0.00 0.00 178.83 178.51 2dw4 h GLU 381 N 0.55 1.19 -0.15 1.69 4.39 -0.57 -0.71 114.58 120.97 2dw4 h GLU 381 Ca 0.15 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.69 2dw4 h GLU 381 Cb 0.04 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2dw4 h GLU 381 CO -0.02 0.95 -0.14 0.35 -1.16 0.00 0.00 179.01 178.98 2dw4 h PHE 382 N 1.16 -0.35 -0.87 4.33 3.57 -0.24 0.73 116.94 125.29 2dw4 h PHE 382 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2dw4 h PHE 382 Cb 0.19 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2dw4 h PHE 382 CO 0.02 -0.20 0.54 -0.91 -2.23 0.00 0.00 178.31 175.53 2dw4 h ASN 383 N -0.16 1.03 -0.34 0.41 2.35 -0.64 -1.83 115.58 116.40 2dw4 h ASN 383 Ca 0.10 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 2dw4 h ASN 383 Cb 0.30 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2dw4 h ASN 383 CO -0.24 0.77 -0.21 0.03 -1.65 0.00 0.00 177.43 176.13 2dw4 h ARG 384 N 1.19 0.82 -0.37 0.81 3.08 -0.72 -1.71 114.38 117.48 2dw4 h ARG 384 Ca 0.31 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2dw4 h ARG 384 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2dw4 h ARG 384 CO -0.06 0.96 0.19 -0.07 -1.07 0.00 0.00 179.97 179.91 2dw4 h LEU 385 N 0.72 0.48 -0.65 3.04 4.07 -0.47 0.78 115.31 123.28 2dw4 h LEU 385 Ca 0.10 -0.11 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 2dw4 h LEU 385 Cb 0.74 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 2dw4 h LEU 385 CO 0.06 0.45 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.66 2dw4 h LEU 386 N 0.46 0.91 -0.89 1.67 3.38 -1.27 -2.38 115.31 117.19 2dw4 h LEU 386 Ca 0.13 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2dw4 h LEU 386 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2dw4 h LEU 386 CO -0.02 1.05 0.04 -0.08 0.09 0.00 0.00 178.44 179.52 2dw4 h GLU 387 N 0.81 0.86 -0.40 1.13 4.22 -1.04 -1.76 114.58 118.40 2dw4 h GLU 387 Ca 0.12 -0.22 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 2dw4 h GLU 387 Cb 0.68 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2dw4 h GLU 387 CO 0.05 0.83 -0.04 0.00 -2.18 0.00 0.00 179.01 177.67 2dw4 h ALA 388 N 1.23 1.18 -0.14 2.92 0.00 -0.48 -1.06 119.26 122.91 2dw4 h ALA 388 Ca 0.16 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2dw4 h ALA 388 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dw4 h ALA 388 CO 0.02 0.53 -0.52 1.79 0.00 0.00 0.00 179.25 181.06 2dw4 h THR 389 N 0.61 1.34 -0.36 0.00 1.35 -0.99 -0.77 112.91 114.09 2dw4 h THR 389 Ca 0.12 -1.78 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 2dw4 h THR 389 Cb 0.45 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2dw4 h THR 389 CO 0.02 0.54 -0.08 -1.28 -0.25 0.00 0.00 175.52 174.47 2dw4 h SER 390 N 0.31 0.58 -0.11 5.36 0.87 -0.90 -0.03 113.55 119.64 2dw4 h SER 390 Ca 0.01 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 2dw4 h SER 390 Cb 1.02 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2dw4 h SER 390 CO 0.09 0.71 -0.13 0.22 -0.53 0.00 0.00 176.83 177.19 2dw4 h TYR 391 N 0.56 0.35 -0.98 2.24 3.20 -0.88 -0.46 116.97 121.00 2dw4 h TYR 391 Ca 0.11 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2dw4 h TYR 391 Cb 0.48 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 2dw4 h TYR 391 CO 0.02 0.72 0.65 -0.07 -1.64 0.00 0.00 178.16 177.83 2dw4 h LEU 392 N -0.11 1.09 0.01 2.82 4.07 -0.88 -1.62 115.31 120.69 2dw4 h LEU 392 Ca 0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2dw4 h LEU 392 Cb 0.67 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2dw4 h LEU 392 CO 0.03 0.77 -0.21 -1.28 -1.08 0.00 0.00 178.44 176.67 2dw4 h SER 393 N 1.28 0.17 0.01 -0.43 0.87 -0.97 -1.23 113.55 113.25 2dw4 h SER 393 Ca 0.38 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dw4 h SER 393 Cb -0.06 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2dw4 h SER 393 CO -0.11 0.97 -0.61 1.41 -0.53 0.00 0.00 176.83 177.96 2dw4 n HIS 394 N -4.53 0.00 -0.05 2.24 8.25 -0.19 -2.63 115.22 118.30 2dw4 n HIS 394 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 2dw4 n HIS 394 Cb 0.50 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 2dw4 n HIS 394 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2dw4 n GLN 395 N -0.51 0.26 0.00 -0.41 -0.06 -0.64 -4.71 117.38 111.31 2dw4 n GLN 395 Ca 0.08 0.08 0.10 0.00 -2.00 0.00 0.00 57.00 55.26 2dw4 n GLN 395 Cb 0.42 -1.09 -0.04 0.00 -4.06 0.00 0.00 30.24 25.48 2dw4 n GLN 395 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2dw4 n LEU 396 N -3.10 1.70 -3.80 1.69 4.77 -1.04 -5.02 117.00 112.19 2dw4 n LEU 396 Ca -0.20 -0.68 -0.25 0.00 -0.03 0.00 0.00 56.01 54.84 2dw4 n LEU 396 Cb 0.68 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2dw4 n LEU 396 CO 0.07 0.34 -0.02 -0.67 -1.33 0.00 0.00 177.39 175.78 2dw4 n ASP 397 N -0.46 -2.45 -4.00 -1.43 2.03 -0.80 -4.91 116.55 104.55 2dw4 n ASP 397 Ca 0.07 -0.82 -0.43 0.00 0.52 0.00 0.00 54.79 54.13 2dw4 n ASP 397 Cb 0.42 -3.91 0.01 0.00 -0.72 0.00 0.00 41.12 36.91 2dw4 n ASP 397 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dw4 n PHE 398 N -4.44 2.75 0.61 -0.67 3.72 -0.53 -4.62 117.46 114.28 2dw4 n PHE 398 Ca -0.17 -2.76 0.07 0.00 -0.05 0.00 0.00 57.45 54.54 2dw4 n PHE 398 Cb 0.62 -1.53 0.03 0.00 -0.94 0.00 0.00 39.48 37.66 2dw4 n PHE 398 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dw4 n ASN 399 N 2.33 1.83 -3.98 4.37 3.02 -1.26 -4.68 115.26 116.89 2dw4 n ASN 399 Ca 0.30 -1.41 -0.18 0.00 -0.03 0.00 0.00 54.58 53.26 2dw4 n ASN 399 Cb 0.35 0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 39.61 2dw4 n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2dw4 s VAL 400 N -1.47 0.60 -0.14 2.41 1.01 -1.26 -1.21 120.40 120.35 2dw4 s VAL 400 Ca 0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2dw4 s VAL 400 Cb 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 36.01 2dw4 s VAL 400 CO 0.27 0.19 0.34 -0.22 0.00 0.00 0.00 175.10 175.68 2dw4 s LEU 401 N 0.09 0.37 -1.36 3.92 2.96 -0.51 -4.86 118.68 119.28 2dw4 s LEU 401 Ca -0.01 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2dw4 s LEU 401 Cb -0.06 1.12 0.04 0.00 0.50 0.00 0.00 46.19 47.78 2dw4 s LEU 401 CO -0.00 -0.15 0.45 0.59 -1.32 0.00 0.00 176.35 175.91 2dw4 n ASN 402 N 3.68 -4.61 -2.74 3.68 4.13 -1.26 -0.38 115.26 117.76 2dw4 n ASN 402 Ca -0.20 -0.26 -0.21 0.00 1.68 0.00 0.00 54.58 55.59 2dw4 n ASN 402 Cb 0.56 -3.79 0.02 0.00 -1.54 0.00 0.00 39.78 35.03 2dw4 n ASN 402 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2dw4 n ASN 403 N -2.29 -5.92 -3.91 6.41 3.02 -1.26 -5.00 115.26 106.30 2dw4 n ASN 403 Ca -0.07 -0.21 -0.14 0.00 -0.03 0.00 0.00 54.58 54.13 2dw4 n ASN 403 Cb 0.58 -4.80 -0.14 0.00 -0.61 0.00 0.00 39.78 34.81 2dw4 n ASN 403 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dw4 s LYS 404 N -5.48 0.18 0.34 3.52 1.02 0.49 -5.12 119.74 114.68 2dw4 s LYS 404 Ca 0.21 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 2dw4 s LYS 404 Cb -0.09 -0.18 -0.11 0.00 -0.52 0.00 0.00 37.83 36.93 2dw4 s LYS 404 CO 0.26 0.05 1.43 -2.14 -0.92 0.00 0.00 175.35 174.03 2dw4 s PRO 405 N -0.05 4.21 0.26 -1.68 0.02 -1.26 -1.43 135.00 135.07 2dw4 s PRO 405 Ca 0.01 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.16 2dw4 s PRO 405 Cb -0.01 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.39 2dw4 s PRO 405 CO -0.00 -0.42 0.97 0.08 -0.33 0.00 0.00 177.00 177.30 2dw4 s VAL 406 N -0.88 4.00 0.26 3.83 1.01 -0.35 -4.87 120.40 123.41 2dw4 s VAL 406 Ca 0.53 1.96 0.05 0.00 0.00 0.00 0.00 61.98 64.52 2dw4 s VAL 406 Cb -0.44 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 2dw4 s VAL 406 CO 0.56 0.43 0.38 -0.94 0.00 0.00 0.00 175.10 175.52 2dw4 s SER 407 N -1.20 6.22 0.17 3.32 1.04 -1.26 -2.01 113.70 119.99 2dw4 s SER 407 Ca 0.43 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 2dw4 s SER 407 Cb -0.26 -1.71 0.07 0.00 0.10 0.00 0.00 66.02 64.22 2dw4 s SER 407 CO 0.32 -0.15 1.74 0.25 0.98 0.00 0.00 173.24 176.38 2dw4 h LEU 408 N 1.11 0.77 -1.16 2.42 5.85 -1.24 -1.18 115.31 121.89 2dw4 h LEU 408 Ca -0.51 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 2dw4 h LEU 408 Cb 1.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2dw4 h LEU 408 CO 0.59 0.70 0.15 1.23 -0.34 0.00 0.00 178.44 180.78 2dw4 h GLY 409 N 0.78 0.80 0.87 3.75 0.00 -1.48 -0.11 103.07 107.68 2dw4 h GLY 409 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2dw4 h GLY 409 CO -0.02 0.40 -0.05 -1.61 0.00 0.00 0.00 176.54 175.26 2dw4 h GLN 410 N 0.73 0.53 -0.49 4.80 4.15 -1.73 -2.20 115.11 120.90 2dw4 h GLN 410 Ca 0.17 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2dw4 h GLN 410 Cb 0.22 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2dw4 h GLN 410 CO -0.01 0.72 -0.03 0.00 -1.93 0.00 0.00 178.83 177.59 2dw4 h ALA 411 N 0.79 1.02 -0.64 3.38 0.00 -0.84 -2.64 119.26 120.33 2dw4 h ALA 411 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2dw4 h ALA 411 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2dw4 h ALA 411 CO 0.02 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 180.00 2dw4 h LEU 412 N 0.78 0.94 -1.07 0.00 3.38 -0.91 -0.63 115.31 117.80 2dw4 h LEU 412 Ca 0.14 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2dw4 h LEU 412 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2dw4 h LEU 412 CO 0.03 0.90 -0.16 -0.33 0.09 0.00 0.00 178.44 178.97 2dw4 h GLU 413 N 0.93 0.48 -0.16 1.13 3.07 -1.24 -0.28 114.58 118.50 2dw4 h GLU 413 Ca 0.21 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 2dw4 h GLU 413 Cb 0.30 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2dw4 h GLU 413 CO -0.01 0.63 -0.34 0.28 -1.40 0.00 0.00 179.01 178.17 2dw4 h VAL 414 N 0.44 1.35 -0.64 3.13 2.07 -1.17 -1.36 116.25 120.07 2dw4 h VAL 414 Ca 0.08 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 2dw4 h VAL 414 Cb 0.54 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2dw4 h VAL 414 CO 0.03 0.48 0.36 0.58 0.02 0.00 0.00 177.57 179.04 2dw4 h VAL 415 N 0.15 1.19 -0.54 2.57 2.07 -0.80 -0.85 116.25 120.04 2dw4 h VAL 415 Ca 0.00 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2dw4 h VAL 415 Cb 0.93 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2dw4 h VAL 415 CO 0.07 0.21 -0.00 0.40 0.02 0.00 0.00 177.57 178.27 2dw4 h ILE 416 N 0.89 1.26 -0.89 4.57 2.04 -0.97 -1.82 117.51 122.60 2dw4 h ILE 416 Ca 0.23 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2dw4 h ILE 416 Cb 0.01 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2dw4 h ILE 416 CO -0.04 0.40 0.59 1.56 0.00 0.00 0.00 178.15 180.66 2dw4 h GLN 417 N 0.84 1.17 -0.72 2.37 4.20 -0.12 -1.12 115.11 121.72 2dw4 h GLN 417 Ca 0.15 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2dw4 h GLN 417 Cb 0.54 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2dw4 h GLN 417 CO 0.03 0.77 0.27 -0.07 -0.67 0.00 0.00 178.83 179.17 2dw4 h LEU 418 N 1.21 1.01 -0.78 1.46 3.38 -0.98 -1.11 115.31 119.50 2dw4 h LEU 418 Ca 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dw4 h LEU 418 Cb -0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.32 2dw4 h LEU 418 CO -0.07 0.92 0.50 1.56 0.09 0.00 0.00 178.44 181.43 2dw4 h GLN 419 N 1.04 1.04 -0.15 1.13 1.08 -0.44 -0.62 115.11 118.19 2dw4 h GLN 419 Ca 0.24 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.27 2dw4 h GLN 419 Cb 0.23 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2dw4 h GLN 419 CO -0.02 0.70 -0.33 0.93 -0.95 0.00 0.00 178.83 179.17 2dw4 h GLU 420 N 1.06 0.31 -0.23 1.46 5.08 -0.93 -1.57 114.58 119.75 2dw4 h GLU 420 Ca 0.28 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2dw4 h GLU 420 Cb -0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2dw4 h GLU 420 CO -0.06 0.61 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.17 2dw4 h LYS 421 N 0.27 0.53 -0.96 2.33 1.63 -0.59 -1.95 116.57 117.82 2dw4 h LYS 421 Ca 0.03 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.60 2dw4 h LYS 421 Cb 0.72 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 2dw4 h LYS 421 CO 0.05 0.82 0.63 1.25 -3.45 0.00 0.00 179.45 178.76 2dw4 h HIS 422 N 0.23 1.20 -0.54 1.91 2.76 -0.88 0.22 115.15 120.05 2dw4 h HIS 422 Ca 0.05 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 2dw4 h HIS 422 Cb 0.70 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2dw4 h HIS 422 CO 0.07 0.73 -0.03 0.28 -1.30 0.00 0.00 177.93 177.69 2dw4 h VAL 423 N 1.27 1.27 -0.20 5.26 2.07 -1.20 -2.09 116.25 122.62 2dw4 h VAL 423 Ca 0.36 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 2dw4 h VAL 423 Cb -0.10 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2dw4 h VAL 423 CO -0.09 0.41 -0.24 0.50 0.02 0.00 0.00 177.57 178.17 2dw4 h LYS 424 N 0.86 0.37 -0.11 1.57 3.64 -0.76 -2.10 116.57 120.05 2dw4 h LYS 424 Ca 0.15 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2dw4 h LYS 424 Cb 0.57 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2dw4 h LYS 424 CO 0.03 0.60 0.03 -0.44 -2.27 0.00 0.00 179.45 177.40 2dw4 h ASP 425 N 0.34 0.16 0.75 4.20 3.32 -0.63 -1.68 116.42 122.88 2dw4 h ASP 425 Ca 0.05 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2dw4 h ASP 425 Cb 0.61 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2dw4 h ASP 425 CO 0.04 0.35 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.44 2dw4 h GLU 426 N -0.03 0.00 -0.03 3.56 5.08 -1.32 -1.87 114.58 119.97 2dw4 h GLU 426 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2dw4 h GLU 426 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dw4 h GLU 426 CO 0.00 0.14 -0.10 0.37 -1.00 0.00 0.00 179.01 178.42 2dw4 h GLN 427 N 0.00 0.12 -0.48 2.33 4.15 -1.18 -2.66 115.11 117.39 2dw4 h GLN 427 Ca -0.00 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.36 2dw4 h GLN 427 Cb 0.56 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 2dw4 h GLN 427 CO 0.02 0.73 0.26 0.82 -1.93 0.00 0.00 178.83 178.72 2dw4 h ILE 428 N -0.46 1.00 -0.55 2.39 2.04 -1.05 -0.68 117.51 120.20 2dw4 h ILE 428 Ca -0.00 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2dw4 h ILE 428 Cb 0.74 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2dw4 h ILE 428 CO 0.02 0.09 0.21 -0.33 0.00 0.00 0.00 178.15 178.15 2dw4 h GLU 429 N 0.51 0.79 -0.34 2.37 5.08 -1.40 -0.44 114.58 121.16 2dw4 h GLU 429 Ca 0.20 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2dw4 h GLU 429 Cb 0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2dw4 h GLU 429 CO -0.12 0.66 -0.29 1.25 -1.00 0.00 0.00 179.01 179.50 2dw4 h HIS 430 N 0.78 0.83 -0.28 4.33 2.76 -1.04 -1.39 115.15 121.14 2dw4 h HIS 430 Ca 0.19 -0.21 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 2dw4 h HIS 430 Cb 0.17 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2dw4 h HIS 430 CO 0.01 0.93 -0.23 -1.49 -1.30 0.00 0.00 177.93 175.85 2dw4 h TRP 431 N 0.62 0.59 -0.43 5.26 6.55 -0.37 -1.90 115.95 126.27 2dw4 h TRP 431 Ca 0.07 -0.12 -0.11 0.00 0.95 0.00 0.00 58.89 59.68 2dw4 h TRP 431 Cb 0.81 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.94 2dw4 h TRP 431 CO 0.04 0.72 -0.17 0.87 -1.05 0.00 0.00 178.44 178.85 2dw4 h LYS 432 N 0.47 0.82 -0.85 0.49 1.57 -0.72 0.24 116.57 118.58 2dw4 h LYS 432 Ca 0.07 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2dw4 h LYS 432 Cb 0.65 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2dw4 h LYS 432 CO 0.05 0.93 0.43 0.87 -0.57 0.00 0.00 179.45 181.16 2dw4 h LYS 433 N 0.72 1.21 0.66 3.15 1.57 -0.86 -0.13 116.57 122.91 2dw4 h LYS 433 Ca 0.11 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2dw4 h LYS 433 Cb 0.68 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2dw4 h LYS 433 CO 0.05 0.91 -0.32 0.82 -0.57 0.00 0.00 179.45 180.34 2dw4 h ILE 434 N 1.21 0.20 -0.82 1.86 1.08 -0.91 -2.27 117.51 117.86 2dw4 h ILE 434 Ca 0.30 -0.26 0.15 0.00 -0.39 0.00 0.00 64.86 64.66 2dw4 h ILE 434 Cb 0.08 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 2dw4 h ILE 434 CO -0.04 0.02 0.54 0.58 -0.69 0.00 0.00 178.15 178.56 2dw4 h VAL 435 N -1.10 0.81 -0.03 1.67 2.07 -0.82 0.16 116.25 119.01 2dw4 h VAL 435 Ca -0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2dw4 h VAL 435 Cb 0.72 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2dw4 h VAL 435 CO 0.15 0.10 -0.00 0.50 0.02 0.00 0.00 177.57 178.33 2dw4 h LYS 436 N 0.54 0.05 -0.97 1.57 1.63 -0.96 -0.72 116.57 117.71 2dw4 h LYS 436 Ca 0.41 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.21 2dw4 h LYS 436 Cb 0.81 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.38 2dw4 h LYS 436 CO -0.16 0.38 0.64 1.15 -3.45 0.00 0.00 179.45 178.01 2dw4 h THR 437 N -0.28 1.21 -0.50 1.00 2.02 -0.76 -1.00 112.91 114.61 2dw4 h THR 437 Ca 0.01 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2dw4 h THR 437 Cb 0.36 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2dw4 h THR 437 CO 0.00 0.23 0.11 1.56 0.37 0.00 0.00 175.52 177.80 2dw4 h GLN 438 N 1.27 0.81 -0.67 6.66 4.20 -0.56 -1.64 115.11 125.19 2dw4 h GLN 438 Ca 0.37 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2dw4 h GLN 438 Cb -0.08 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2dw4 h GLN 438 CO -0.10 0.79 0.28 0.93 -0.67 0.00 0.00 178.83 180.06 2dw4 h GLU 439 N 0.70 0.97 -0.12 1.46 5.08 -0.44 -1.11 114.58 121.12 2dw4 h GLU 439 Ca 0.16 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dw4 h GLU 439 Cb 0.35 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dw4 h GLU 439 CO 0.00 0.78 -0.01 0.93 -1.00 0.00 0.00 179.01 179.71 2dw4 h GLU 440 N 0.95 0.22 -0.32 2.33 5.08 -0.95 -1.82 114.58 120.07 2dw4 h GLU 440 Ca 0.23 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2dw4 h GLU 440 Cb 0.16 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2dw4 h GLU 440 CO -0.02 0.48 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.35 2dw4 h LEU 441 N -0.06 -0.21 -1.11 1.33 3.38 -1.06 0.29 115.31 117.86 2dw4 h LEU 441 Ca 0.03 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2dw4 h LEU 441 Cb 0.38 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 2dw4 h LEU 441 CO 0.01 -0.07 0.61 0.50 0.09 0.00 0.00 178.44 179.57 2dw4 h LYS 442 N 0.05 1.02 0.12 1.13 3.11 -1.08 0.14 116.57 121.05 2dw4 h LYS 442 Ca 0.16 -0.06 -0.30 0.00 -2.81 0.00 0.00 60.65 57.64 2dw4 h LYS 442 Cb 0.23 -0.23 0.03 0.00 -1.00 0.00 0.00 32.23 31.26 2dw4 h LYS 442 CO -0.30 0.68 -1.23 0.93 -2.81 0.00 0.00 179.45 176.72 2dw4 h GLU 443 N 1.05 0.63 -0.17 1.90 5.08 -0.47 -2.72 114.58 119.88 2dw4 h GLU 443 Ca 0.41 -0.83 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 2dw4 h GLU 443 Cb 0.22 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2dw4 h GLU 443 CO -0.16 1.38 -0.18 1.25 -1.00 0.00 0.00 179.01 180.30 2dw4 h LEU 444 N 0.26 0.27 -0.40 1.33 7.12 -0.15 -2.41 115.31 121.33 2dw4 h LEU 444 Ca -0.19 -0.07 -0.10 0.00 0.13 0.00 0.00 57.88 57.65 2dw4 h LEU 444 Cb 1.90 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.95 2dw4 h LEU 444 CO 0.24 0.47 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.79 2dw4 h LEU 445 N 0.26 0.84 -0.76 2.25 4.07 -0.99 -2.15 115.31 118.83 2dw4 h LEU 445 Ca 0.05 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.59 2dw4 h LEU 445 Cb 0.47 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 2dw4 h LEU 445 CO 0.03 1.04 0.34 -1.13 -1.08 0.00 0.00 178.44 177.64 2dw4 h ASN 446 N 0.63 1.01 0.84 -0.43 -0.00 -1.12 -1.17 115.58 115.35 2dw4 h ASN 446 Ca 0.09 -0.15 -0.07 0.00 -0.00 0.00 0.00 56.30 56.18 2dw4 h ASN 446 Cb 0.70 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.75 2dw4 h ASN 446 CO 0.05 0.88 -0.33 0.07 -0.00 0.00 0.00 177.43 178.10 2dw4 h LYS 447 N 1.07 0.00 -0.10 6.67 2.10 -1.38 -1.78 116.57 123.14 2dw4 h LYS 447 Ca 0.26 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.68 2dw4 h LYS 447 Cb 0.16 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2dw4 h LYS 447 CO -0.03 0.33 -0.84 0.52 -2.00 0.00 0.00 179.45 177.43 2dw4 h MET 448 N 0.00 0.71 -0.53 0.07 2.86 -0.87 -1.30 114.93 115.87 2dw4 h MET 448 Ca -0.00 -0.63 -0.07 0.00 -2.06 0.00 0.00 59.70 56.93 2dw4 h MET 448 Cb 0.84 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2dw4 h MET 448 CO 0.04 1.23 0.03 0.28 1.06 0.00 0.00 176.91 179.56 2dw4 h VAL 449 N 0.47 1.25 -0.08 -2.22 2.07 -1.02 -0.36 116.25 116.35 2dw4 h VAL 449 Ca -0.07 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 2dw4 h VAL 449 Cb 1.47 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2dw4 h VAL 449 CO 0.17 0.36 -0.53 0.78 0.02 0.00 0.00 177.57 178.37 2dw4 h ASN 450 N 0.83 0.24 0.20 0.57 -0.26 -1.24 -2.37 115.58 113.54 2dw4 h ASN 450 Ca 0.16 -0.12 -0.17 0.00 -0.56 0.00 0.00 56.30 55.60 2dw4 h ASN 450 Cb 0.45 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 2dw4 h ASN 450 CO 0.02 0.73 -0.66 0.25 -1.06 0.00 0.00 177.43 176.70 2dw4 h LEU 451 N 0.17 0.50 -0.96 1.61 5.85 -0.71 -2.00 115.31 119.77 2dw4 h LEU 451 Ca 0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2dw4 h LEU 451 Cb 0.99 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2dw4 h LEU 451 CO 0.08 1.03 0.41 0.11 -0.34 0.00 0.00 178.44 179.73 2dw4 h LYS 452 N 0.31 1.15 0.00 1.25 1.79 -0.89 0.12 116.57 120.29 2dw4 h LYS 452 Ca -0.02 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 2dw4 h LYS 452 Cb 1.22 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 2dw4 h LYS 452 CO 0.12 0.86 -0.18 1.49 -1.08 0.00 0.00 179.45 180.66 2dw4 h GLU 453 N 1.14 0.00 0.15 3.15 4.57 -1.18 -0.10 114.58 122.31 2dw4 h GLU 453 Ca 0.28 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.24 2dw4 h GLU 453 Cb 0.08 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2dw4 h GLU 453 CO -0.04 0.18 -0.98 -0.22 -1.18 0.00 0.00 179.01 176.78 2dw4 h LYS 454 N 0.00 0.40 -0.19 1.92 3.64 -0.43 -3.02 116.57 118.89 2dw4 h LYS 454 Ca -0.00 -0.63 0.03 0.00 -1.27 0.00 0.00 60.65 58.78 2dw4 h LYS 454 Cb 0.59 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2dw4 h LYS 454 CO 0.02 1.29 0.13 0.82 -2.27 0.00 0.00 179.45 179.44 2dw4 h ILE 455 N -0.17 0.97 0.00 2.00 1.08 -0.41 -2.21 117.51 118.77 2dw4 h ILE 455 Ca -0.16 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2dw4 h ILE 455 Cb 1.75 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 2dw4 h ILE 455 CO 0.18 0.02 0.00 1.17 -0.69 0.00 0.00 178.15 178.84 2dw4 n LYS 456 N -4.50 0.00 -0.30 2.37 3.00 -0.09 -2.58 118.16 116.07 2dw4 n LYS 456 Ca 0.01 0.44 -0.06 0.00 -0.00 0.00 0.00 58.31 58.70 2dw4 n LYS 456 Cb 0.18 -1.40 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 2dw4 n LYS 456 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2dw4 h GLU 457 N 0.00 -0.11 0.00 1.64 4.22 -1.40 0.76 114.58 119.69 2dw4 h GLU 457 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2dw4 h GLU 457 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2dw4 h GLU 457 CO 0.00 -0.07 0.20 -0.11 -2.18 0.00 0.00 179.01 176.85 2dw4 n LEU 458 N -5.41 0.14 -4.27 1.64 -0.00 -0.84 -5.14 117.00 103.13 2dw4 n LEU 458 Ca 0.05 0.43 -0.44 0.00 -0.00 0.00 0.00 56.01 56.04 2dw4 n LEU 458 Cb 0.35 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 43.31 2dw4 n LEU 458 CO -0.07 -0.47 0.22 -2.28 -0.00 0.00 0.00 177.39 174.78 2dw4 s HIS 459 N -2.92 3.53 0.00 1.96 2.46 0.26 -4.98 115.29 115.61 2dw4 s HIS 459 Ca -0.01 -1.93 0.00 0.00 0.47 0.00 0.00 55.06 53.60 2dw4 s HIS 459 Cb 0.02 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 2dw4 s HIS 459 CO 0.05 -0.97 0.00 0.25 -2.47 0.00 0.00 174.74 171.59 2dw4 n THR 475 N 4.35 0.00 -0.29 0.89 -2.24 -1.26 -5.09 114.28 110.65 2dw4 n THR 475 Ca 0.03 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 2dw4 n THR 475 Cb 0.43 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.87 2dw4 n THR 475 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dw4 h ALA 476 N 0.00 0.95 -0.55 6.98 0.00 -2.05 1.23 119.26 125.82 2dw4 h ALA 476 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2dw4 h ALA 476 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dw4 h ALA 476 CO 0.00 -0.46 0.03 1.49 0.00 0.00 0.00 179.25 180.30 2dw4 h GLU 477 N 0.10 0.91 -0.30 0.00 4.81 -2.06 -2.26 114.58 115.78 2dw4 h GLU 477 Ca 0.48 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 59.28 2dw4 h GLU 477 Cb 0.90 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2dw4 h GLU 477 CO -0.74 0.89 -0.50 0.35 -0.73 0.00 0.00 179.01 178.28 2dw4 h PHE 478 N 0.85 1.04 -0.26 0.92 3.57 0.47 -2.55 116.94 120.98 2dw4 h PHE 478 Ca 0.16 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2dw4 h PHE 478 Cb 0.47 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2dw4 h PHE 478 CO 0.03 1.17 0.16 1.25 -2.23 0.00 0.00 178.31 178.68 2dw4 h LEU 479 N 0.66 0.30 0.06 0.59 5.85 0.12 0.84 115.31 123.73 2dw4 h LEU 479 Ca 0.03 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dw4 h LEU 479 Cb 1.09 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2dw4 h LEU 479 CO 0.11 0.23 -0.03 0.58 -0.34 0.00 0.00 178.44 178.99 2dw4 h VAL 480 N 0.35 1.22 -0.24 1.05 2.07 -1.16 -1.02 116.25 118.52 2dw4 h VAL 480 Ca 0.09 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.61 2dw4 h VAL 480 Cb -0.02 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2dw4 h VAL 480 CO -0.02 0.25 0.16 0.11 0.02 0.00 0.00 177.57 178.09 2dw4 h LYS 481 N -0.54 0.29 -0.16 1.57 1.79 -1.01 -2.32 116.57 116.19 2dw4 h LYS 481 Ca -0.01 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2dw4 h LYS 481 Cb 0.47 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2dw4 h LYS 481 CO 0.01 0.19 -0.25 0.77 -1.08 0.00 0.00 179.45 179.09 2dw4 h SER 482 N 0.30 0.50 0.69 0.86 0.02 -0.67 -2.02 113.55 113.23 2dw4 h SER 482 Ca 0.09 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2dw4 h SER 482 Cb -0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2dw4 h SER 482 CO -0.02 0.93 -0.17 0.11 -1.14 0.00 0.00 176.83 176.54 2dw4 h LYS 483 N 0.09 0.00 0.47 3.45 1.79 -1.01 -2.41 116.57 118.94 2dw4 h LYS 483 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2dw4 h LYS 483 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2dw4 h LYS 483 CO 0.06 0.17 -0.23 1.25 -1.08 0.00 0.00 179.45 179.62 2dw4 h HIS 484 N 0.00 -0.59 0.00 -1.35 2.76 -1.23 0.30 115.15 115.05 2dw4 h HIS 484 Ca -0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2dw4 h HIS 484 Cb 0.57 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 2dw4 h HIS 484 CO 0.00 -0.27 -0.04 0.07 -1.30 0.00 0.00 177.93 176.39 2dw4 h ARG 485 N -1.01 0.00 0.00 5.26 0.11 -1.31 -0.42 114.38 117.01 2dw4 h ARG 485 Ca -0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 2dw4 h ARG 485 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2dw4 h ARG 485 CO 0.11 0.04 -0.00 -0.44 0.10 0.00 0.00 179.97 179.77 2dw4 h ASP 486 N 0.00 -0.00 -0.69 0.08 3.45 -1.34 -2.77 116.42 115.15 2dw4 h ASP 486 Ca -0.00 -0.89 -0.06 0.00 0.43 0.00 0.00 57.03 56.51 2dw4 h ASP 486 Cb 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 2dw4 h ASP 486 CO 0.00 0.91 0.20 -0.07 -1.57 0.00 0.00 179.24 178.71 2dw4 h LEU 487 N -0.95 1.03 -1.56 1.55 3.38 -0.73 -2.36 115.31 115.67 2dw4 h LEU 487 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2dw4 h LEU 487 Cb 0.89 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dw4 h LEU 487 CO 0.00 0.98 0.00 0.71 0.09 0.00 0.00 178.44 180.22 2dw4 h THR 488 N 1.03 0.00 0.01 0.22 1.35 -1.20 -1.67 112.91 112.65 2dw4 h THR 488 Ca 0.22 -0.46 -0.22 0.00 -0.55 0.00 0.00 66.41 65.41 2dw4 h THR 488 Cb 0.33 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2dw4 h THR 488 CO -0.00 0.00 -0.93 0.00 -0.25 0.00 0.00 175.52 174.34 2dw4 h ALA 489 N 2.01 0.42 0.00 6.62 0.00 -1.12 -2.37 119.26 124.82 2dw4 h ALA 489 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2dw4 h ALA 489 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dw4 h ALA 489 CO 0.00 0.87 0.00 1.28 0.00 0.00 0.00 179.25 181.40 2dw4 n LEU 490 N -3.70 0.66 -0.00 0.00 4.77 -0.72 -2.79 117.00 115.22 2dw4 n LEU 490 Ca -0.05 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.61 2dw4 n LEU 490 Cb 0.83 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 2dw4 n LEU 490 CO 0.50 -0.23 -0.22 0.00 -1.33 0.00 0.00 177.39 176.11 2dw4 n LYS 492 N -1.69 0.12 -0.12 0.00 4.81 -0.90 -2.06 118.16 118.32 2dw4 n LYS 492 Ca 0.02 -0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.15 2dw4 n LYS 492 Cb 0.39 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.83 2dw4 n LYS 492 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dw4 n GLU 493 N -1.40 0.59 -0.03 1.64 2.13 -1.13 -4.24 120.64 118.20 2dw4 n GLU 493 Ca 0.07 0.37 -0.14 0.00 0.66 0.00 0.00 57.16 58.12 2dw4 n GLU 493 Cb 0.33 -1.59 -0.11 0.00 0.27 0.00 0.00 31.44 30.34 2dw4 n GLU 493 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2dw4 h TYR 494 N -0.90 0.17 -0.91 4.31 5.03 -1.47 -1.91 116.97 121.30 2dw4 h TYR 494 Ca -0.56 -0.09 0.09 0.00 2.58 0.00 0.00 58.73 60.75 2dw4 h TYR 494 Cb 1.54 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 39.73 2dw4 h TYR 494 CO -0.01 0.84 0.59 0.38 -1.32 0.00 0.00 178.16 178.64 2dw4 h ASP 495 N -0.54 0.84 -0.41 -2.11 2.03 -1.69 -1.19 116.42 113.35 2dw4 h ASP 495 Ca -0.02 0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 2dw4 h ASP 495 Cb 0.88 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.21 2dw4 h ASP 495 CO 0.03 0.50 -0.22 -0.08 -1.03 0.00 0.00 179.24 178.44 2dw4 h GLU 496 N 0.93 0.87 -0.48 4.15 4.57 -1.73 -2.45 114.58 120.43 2dw4 h GLU 496 Ca 0.42 -0.39 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2dw4 h GLU 496 Cb 0.37 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 2dw4 h GLU 496 CO -0.18 1.03 0.33 1.25 -1.18 0.00 0.00 179.01 180.27 2dw4 h LEU 497 N 0.69 0.19 -1.12 1.64 5.85 -0.40 0.10 115.31 122.26 2dw4 h LEU 497 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2dw4 h LEU 497 Cb 0.78 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2dw4 h LEU 497 CO 0.06 0.11 -0.05 0.00 -0.34 0.00 0.00 178.44 178.22 2dw4 h ALA 498 N 1.76 1.00 0.11 1.25 0.00 -0.85 -2.13 119.26 120.38 2dw4 h ALA 498 Ca 0.22 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2dw4 h ALA 498 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dw4 h ALA 498 CO -0.04 0.07 -1.35 0.93 0.00 0.00 0.00 179.25 178.86 2dw4 h GLU 499 N 0.00 0.23 0.00 0.00 5.08 -0.76 -2.22 114.58 116.91 2dw4 h GLU 499 Ca -0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2dw4 h GLU 499 Cb 0.66 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2dw4 h GLU 499 CO 0.01 1.19 0.00 1.79 -1.00 0.00 0.00 179.01 180.99 2dw4 h THR 500 N -0.35 0.00 0.09 1.13 1.35 -1.44 -0.37 112.91 113.31 2dw4 h THR 500 Ca -0.29 -0.28 -0.26 0.00 -0.55 0.00 0.00 66.41 65.03 2dw4 h THR 500 Cb 1.72 1.16 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2dw4 h THR 500 CO 0.05 0.00 -1.15 -0.61 -0.25 0.00 0.00 175.52 173.56 2dw4 h GLN 501 N 0.00 0.39 0.00 4.72 4.15 -1.38 -3.18 115.11 119.81 2dw4 h GLN 501 Ca 0.00 -0.54 -0.04 0.00 0.77 0.00 0.00 58.65 58.84 2dw4 h GLN 501 Cb 0.31 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2dw4 h GLN 501 CO 0.00 1.22 -0.17 0.78 -1.93 0.00 0.00 178.83 178.73 2dw4 h GLY 502 N 1.17 0.00 1.33 2.39 0.00 -0.47 -1.69 103.07 105.80 2dw4 h GLY 502 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2dw4 h GLY 502 CO 0.20 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.99 2dw4 n LYS 503 N -3.25 0.55 -0.10 4.80 4.76 -0.47 -2.62 118.16 121.82 2dw4 n LYS 503 Ca 0.01 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 2dw4 n LYS 503 Cb 0.45 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 2dw4 n LYS 503 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dw4 n LEU 504 N -1.17 2.63 0.20 -0.35 4.32 -0.93 -3.64 117.00 118.06 2dw4 n LEU 504 Ca 0.15 -0.02 0.14 0.00 -0.02 0.00 0.00 56.01 56.26 2dw4 n LEU 504 Cb 0.24 -0.66 0.61 0.00 -1.62 0.00 0.00 43.42 42.00 2dw4 n LEU 504 CO 0.23 0.73 0.92 -0.33 -1.22 0.00 0.00 177.39 177.73 2dw4 h GLU 505 N -0.17 0.00 0.00 3.23 5.08 -1.38 0.15 114.58 121.49 2dw4 h GLU 505 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2dw4 h GLU 505 Cb 1.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 2dw4 h GLU 505 CO -0.12 0.00 -0.19 1.49 -1.00 0.00 0.00 179.01 179.19 2dw4 h GLU 506 N 0.00 0.00 -0.75 2.33 4.81 -1.70 -2.98 114.58 116.28 2dw4 h GLU 506 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2dw4 h GLU 506 Cb 0.37 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2dw4 h GLU 506 CO 0.00 0.84 0.45 -0.22 -0.73 0.00 0.00 179.01 179.35 2dw4 h LYS 507 N -1.00 0.82 0.03 1.92 3.64 -1.49 -2.09 116.57 118.40 2dw4 h LYS 507 Ca -0.05 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2dw4 h LYS 507 Cb 0.90 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2dw4 h LYS 507 CO -0.03 0.54 -0.02 1.25 -2.27 0.00 0.00 179.45 178.92 2dw4 h LEU 508 N 0.84 -0.04 -2.00 5.20 5.85 -0.84 -1.70 115.31 122.63 2dw4 h LEU 508 Ca 0.32 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.40 2dw4 h LEU 508 Cb 0.13 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2dw4 h LEU 508 CO -0.16 -0.03 0.88 -0.61 -0.34 0.00 0.00 178.44 178.19 2dw4 h GLN 509 N -0.05 0.00 0.10 1.25 4.15 -1.46 -0.88 115.11 118.22 2dw4 h GLN 509 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2dw4 h GLN 509 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2dw4 h GLN 509 CO 0.01 0.00 -0.05 1.49 -1.93 0.00 0.00 178.83 178.35 2dw4 h GLU 510 N 0.00 -0.13 -0.57 1.69 4.81 -1.26 -3.13 114.58 115.99 2dw4 h GLU 510 Ca 0.58 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.93 2dw4 h GLU 510 Cb 2.35 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 31.65 2dw4 h GLU 510 CO -0.01 -0.09 -0.15 -0.11 -0.73 0.00 0.00 179.01 177.92 2dw4 n LEU 511 N -2.60 -0.22 -1.29 1.64 7.94 -0.40 0.24 117.00 122.30 2dw4 n LEU 511 Ca -0.02 0.98 -0.04 0.00 -1.11 0.00 0.00 56.01 55.83 2dw4 n LEU 511 Cb 0.06 -0.29 0.12 0.00 0.53 0.00 0.00 43.42 43.84 2dw4 n LEU 511 CO 0.04 -0.93 0.66 -1.84 -1.11 0.00 0.00 177.39 174.21 2dw4 n GLU 512 N -4.92 2.05 0.00 1.96 0.28 -0.80 -2.58 120.64 116.63 2dw4 n GLU 512 Ca 0.09 -1.25 0.00 0.00 -0.16 0.00 0.00 57.16 55.83 2dw4 n GLU 512 Cb 0.28 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2dw4 n GLU 512 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dw4 n ALA 513 N 0.04 1.27 -2.67 -1.84 0.00 0.65 -4.75 120.51 113.20 2dw4 n ALA 513 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 2dw4 n ALA 513 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 2dw4 n ALA 513 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dw4 n ASN 514 N -0.76 3.36 -4.78 0.00 4.13 -0.59 -5.08 115.26 111.55 2dw4 n ASN 514 Ca 0.00 -3.36 -0.34 0.00 1.68 0.00 0.00 54.58 52.57 2dw4 n ASN 514 Cb 0.00 -0.51 0.02 0.00 -1.54 0.00 0.00 39.78 37.75 2dw4 n ASN 514 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2dw4 s PRO 515 N -3.30 3.16 0.98 3.52 0.02 -1.21 -4.91 135.00 133.25 2dw4 s PRO 515 Ca 0.41 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 2dw4 s PRO 515 Cb 0.39 -2.00 0.21 0.00 0.02 0.00 0.00 34.50 33.12 2dw4 s PRO 515 CO -0.11 -0.97 1.31 -2.14 -0.33 0.00 0.00 177.00 174.77 2dw4 s PRO 516 N -3.78 0.53 0.48 5.54 0.02 -1.26 -4.96 135.00 131.56 2dw4 s PRO 516 Ca 0.68 -0.39 -0.23 0.00 0.02 0.00 0.00 61.00 61.08 2dw4 s PRO 516 Cb -0.20 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 2dw4 s PRO 516 CO 0.34 -2.49 1.08 0.43 -0.33 0.00 0.00 177.00 176.03 2dw4 n SER 517 N -3.83 1.52 0.08 2.53 7.64 -1.26 -4.92 113.62 115.39 2dw4 n SER 517 Ca 0.15 0.99 -0.15 0.00 1.01 0.00 0.00 58.87 60.87 2dw4 n SER 517 Cb 0.59 -1.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.24 2dw4 n SER 517 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2dw4 h ASP 518 N 1.39 0.35 -5.19 6.43 3.58 -1.93 -3.44 116.42 117.61 2dw4 h ASP 518 Ca -0.47 -0.41 -0.10 0.00 0.42 0.00 0.00 57.03 56.47 2dw4 h ASP 518 Cb 1.33 -0.11 -0.14 0.00 1.72 0.00 0.00 39.33 42.13 2dw4 h ASP 518 CO 0.56 1.33 -0.45 0.68 -2.88 0.00 0.00 179.24 178.47 2dw4 s VAL 519 N -2.65 0.16 -0.05 2.25 -7.23 -1.26 -4.87 120.40 106.75 2dw4 s VAL 519 Ca -0.05 -1.37 -0.21 0.00 -1.81 0.00 0.00 61.98 58.54 2dw4 s VAL 519 Cb 0.07 -1.43 -0.16 0.00 0.56 0.00 0.00 36.38 35.42 2dw4 s VAL 519 CO 0.87 -0.72 0.89 0.22 -0.31 0.00 0.00 175.10 176.05 2dw4 h TYR 520 N 2.84 -0.20 -3.32 2.82 3.20 -1.90 -3.44 116.97 116.97 2dw4 h TYR 520 Ca -0.34 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.01 2dw4 h TYR 520 Cb 1.19 0.07 -0.35 0.00 1.54 0.00 0.00 36.73 39.17 2dw4 h TYR 520 CO 0.45 0.23 -0.81 -0.51 -1.64 0.00 0.00 178.16 175.88 2dw4 s LEU 521 N -9.01 1.45 0.90 2.82 1.43 -1.26 -5.07 118.68 109.94 2dw4 s LEU 521 Ca -0.13 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2dw4 s LEU 521 Cb 0.01 -0.82 0.13 0.00 0.03 0.00 0.00 46.19 45.53 2dw4 s LEU 521 CO 0.48 -0.03 1.10 -0.94 0.23 0.00 0.00 176.35 177.19 2dw4 s SER 522 N 1.10 3.54 0.20 2.29 1.04 -1.26 -4.71 113.70 115.90 2dw4 s SER 522 Ca -0.06 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 2dw4 s SER 522 Cb -0.14 -1.92 0.23 0.00 0.10 0.00 0.00 66.02 64.28 2dw4 s SER 522 CO -0.01 -2.56 1.73 -1.28 0.98 0.00 0.00 173.24 172.09 2dw4 h SER 523 N -1.50 0.08 -0.40 7.02 0.87 -2.00 0.12 113.55 117.74 2dw4 h SER 523 Ca -0.50 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.01 2dw4 h SER 523 Cb 1.30 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2dw4 h SER 523 CO 0.58 0.07 -0.27 0.03 -0.53 0.00 0.00 176.83 176.71 2dw4 h ARG 524 N 0.30 0.89 -0.99 2.24 3.08 -2.00 -2.72 114.38 115.18 2dw4 h ARG 524 Ca 0.28 -0.42 0.07 0.00 0.07 0.00 0.00 59.98 59.97 2dw4 h ARG 524 Cb 0.36 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 2dw4 h ARG 524 CO -0.33 1.07 0.64 -0.44 -1.07 0.00 0.00 179.97 179.85 2dw4 h ASP 525 N 0.70 1.02 -0.22 7.04 3.32 -1.61 -1.79 116.42 124.88 2dw4 h ASP 525 Ca 0.08 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2dw4 h ASP 525 Cb 0.85 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2dw4 h ASP 525 CO 0.07 0.65 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.94 2dw4 h ARG 526 N 1.15 0.68 -0.44 3.56 9.65 -0.67 -0.68 114.38 127.64 2dw4 h ARG 526 Ca 0.43 -0.26 -0.09 0.00 -1.10 0.00 0.00 59.98 58.96 2dw4 h ARG 526 Cb 0.18 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2dw4 h ARG 526 CO -0.17 0.84 -0.09 1.96 2.80 0.00 0.00 179.97 185.31 2dw4 h GLN 527 N 0.60 0.78 -0.23 0.20 4.20 -1.06 0.42 115.11 120.02 2dw4 h GLN 527 Ca 0.09 -0.25 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 2dw4 h GLN 527 Cb 0.69 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2dw4 h GLN 527 CO 0.05 0.85 -0.47 0.82 -0.67 0.00 0.00 178.83 179.41 2dw4 h ILE 528 N 0.71 1.31 -0.69 2.54 2.04 -1.02 -2.54 117.51 119.86 2dw4 h ILE 528 Ca 0.12 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.23 2dw4 h ILE 528 Cb 0.57 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2dw4 h ILE 528 CO 0.04 0.53 0.14 0.25 0.00 0.00 0.00 178.15 179.10 2dw4 h LEU 529 N 0.47 1.07 -2.48 1.44 5.85 -0.66 -2.14 115.31 118.85 2dw4 h LEU 529 Ca 0.03 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2dw4 h LEU 529 Cb 1.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2dw4 h LEU 529 CO 0.09 1.04 -0.02 0.44 -0.34 0.00 0.00 178.44 179.65 2dw4 h ASP 530 N 1.05 0.00 -0.16 1.25 3.32 -0.58 -1.08 116.42 120.23 2dw4 h ASP 530 Ca 0.21 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2dw4 h ASP 530 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2dw4 h ASP 530 CO 0.01 0.02 -0.41 -0.25 -1.72 0.00 0.00 179.24 176.88 2dw4 h TRP 531 N 0.00 0.84 -0.18 4.55 7.01 -0.98 0.02 115.95 127.21 2dw4 h TRP 531 Ca -0.00 -0.25 -0.15 0.00 2.11 0.00 0.00 58.89 60.60 2dw4 h TRP 531 Cb 0.06 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 2dw4 h TRP 531 CO 0.00 1.00 -0.51 0.45 -2.79 0.00 0.00 178.44 176.58 2dw4 h HIS 532 N 0.57 0.61 -0.47 2.65 3.86 -1.20 -0.70 115.15 120.46 2dw4 h HIS 532 Ca 0.04 -0.21 -0.13 0.00 -1.16 0.00 0.00 60.37 58.92 2dw4 h HIS 532 Cb 0.95 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2dw4 h HIS 532 CO 0.05 0.90 -0.23 0.74 0.86 0.00 0.00 177.93 180.25 2dw4 h PHE 533 N 0.39 1.13 -0.84 2.45 0.04 -1.27 -1.25 116.94 117.58 2dw4 h PHE 533 Ca 0.01 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.48 2dw4 h PHE 533 Cb 1.03 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 2dw4 h PHE 533 CO 0.04 1.10 0.40 0.00 -0.60 0.00 0.00 178.31 179.25 2dw4 h ALA 534 N 0.89 1.08 -0.62 2.45 0.00 -0.82 0.24 119.26 122.48 2dw4 h ALA 534 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2dw4 h ALA 534 Cb 0.80 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2dw4 h ALA 534 CO 0.07 0.64 0.13 -0.97 0.00 0.00 0.00 179.25 179.12 2dw4 h ASN 535 N 1.19 0.92 -0.23 0.00 -1.24 -0.81 0.20 115.58 115.61 2dw4 h ASN 535 Ca 0.29 -0.19 -0.14 0.00 0.71 0.00 0.00 56.30 56.97 2dw4 h ASN 535 Cb 0.12 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2dw4 h ASN 535 CO -0.04 0.91 -0.35 0.25 -1.29 0.00 0.00 177.43 176.92 2dw4 h LEU 536 N 0.93 0.79 -1.30 0.34 6.46 -0.29 -2.09 115.31 120.14 2dw4 h LEU 536 Ca 0.19 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.55 2dw4 h LEU 536 Cb 0.36 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2dw4 h LEU 536 CO 0.00 1.06 -0.29 -0.33 -0.62 0.00 0.00 178.44 178.26 2dw4 h GLU 537 N 0.63 0.09 0.42 1.25 5.08 -0.00 -1.77 114.58 120.28 2dw4 h GLU 537 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2dw4 h GLU 537 Cb 0.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2dw4 h GLU 537 CO 0.08 0.38 -0.20 0.35 -1.00 0.00 0.00 179.01 178.61 2dw4 h PHE 538 N 0.08 -0.53 -0.66 4.33 3.57 -0.60 0.12 116.94 123.25 2dw4 h PHE 538 Ca 0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2dw4 h PHE 538 Cb 0.56 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2dw4 h PHE 538 CO 0.00 -0.20 0.44 0.00 -2.23 0.00 0.00 178.31 176.32 2dw4 h ALA 539 N -0.56 1.87 -0.02 2.41 0.00 -1.27 -1.33 119.26 120.36 2dw4 h ALA 539 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dw4 h ALA 539 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dw4 h ALA 539 CO 0.10 0.01 -0.15 0.09 0.00 0.00 0.00 179.25 179.29 2dw4 n ASN 540 N -4.48 1.68 -2.83 0.00 3.02 -0.68 -4.97 115.26 107.00 2dw4 n ASN 540 Ca 0.10 -1.39 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 2dw4 n ASN 540 Cb 0.31 0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.60 2dw4 n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dw4 n ALA 541 N 0.08 -0.87 -3.55 5.41 0.00 0.34 -4.76 120.51 117.17 2dw4 n ALA 541 Ca 0.15 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 2dw4 n ALA 541 Cb 0.41 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 2dw4 n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dw4 s THR 542 N -3.01 0.00 0.50 0.00 -1.32 -0.71 0.38 115.64 111.47 2dw4 s THR 542 Ca 0.19 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.44 2dw4 s THR 542 Cb -0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.84 2dw4 s THR 542 CO 0.24 0.00 1.32 -2.84 -2.21 0.00 0.00 174.62 171.12 2dw4 s PRO 543 N -2.15 3.46 0.50 7.08 0.02 -1.26 -4.51 135.00 138.14 2dw4 s PRO 543 Ca 0.03 2.14 0.18 0.00 0.02 0.00 0.00 61.00 63.37 2dw4 s PRO 543 Cb -0.01 -2.41 1.23 0.00 0.02 0.00 0.00 34.50 33.33 2dw4 s PRO 543 CO -0.04 -0.91 2.05 -0.07 -0.33 0.00 0.00 177.00 177.70 2dw4 h LEU 544 N 1.86 0.12 0.00 -5.54 4.07 -1.94 -1.42 115.31 112.46 2dw4 h LEU 544 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2dw4 h LEU 544 Cb 1.28 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.99 2dw4 h LEU 544 CO 0.59 0.08 0.00 -1.54 -1.08 0.00 0.00 178.44 176.49 2dw4 n SER 545 N -4.46 0.00 -0.00 -0.43 3.41 -1.26 -1.36 113.62 109.52 2dw4 n SER 545 Ca 0.05 -0.15 0.07 0.00 -0.26 0.00 0.00 58.87 58.58 2dw4 n SER 545 Cb 0.34 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 2dw4 n SER 545 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dw4 n THR 546 N -1.16 0.00 -2.90 6.66 -2.24 -0.53 -4.78 114.28 109.33 2dw4 n THR 546 Ca 0.08 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 2dw4 n THR 546 Cb 0.08 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 2dw4 n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dw4 s LEU 547 N -2.80 4.50 0.00 3.22 1.43 -0.95 -1.92 118.68 122.16 2dw4 s LEU 547 Ca 0.05 1.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 2dw4 s LEU 547 Cb 0.11 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2dw4 s LEU 547 CO 0.60 0.09 1.47 -0.55 0.23 0.00 0.00 176.35 178.19 2dw4 s SER 548 N -1.37 6.78 0.18 2.29 0.15 -0.42 -1.32 113.70 119.99 2dw4 s SER 548 Ca 0.42 2.19 -0.12 0.00 0.70 0.00 0.00 55.95 59.14 2dw4 s SER 548 Cb -0.21 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2dw4 s SER 548 CO 0.26 -0.78 1.80 0.25 1.20 0.00 0.00 173.24 175.97 2dw4 h LEU 549 N 8.63 0.78 -0.26 3.45 5.85 -1.65 0.85 115.31 132.96 2dw4 h LEU 549 Ca -0.39 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.04 2dw4 h LEU 549 Cb 1.18 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2dw4 h LEU 549 CO 0.92 0.65 -0.88 0.50 -0.34 0.00 0.00 178.44 179.28 2dw4 h LYS 550 N 0.85 0.34 -0.00 1.25 3.64 -1.91 -3.39 116.57 117.35 2dw4 h LYS 550 Ca 0.22 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2dw4 h LYS 550 Cb 0.04 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2dw4 h LYS 550 CO -0.04 1.03 -0.03 0.72 -2.27 0.00 0.00 179.45 178.86 2dw4 n HIS 551 N -3.74 0.00 -0.34 1.91 8.25 -1.16 -4.75 115.22 115.39 2dw4 n HIS 551 Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.57 2dw4 n HIS 551 Cb 0.80 0.00 0.38 0.00 1.12 0.00 0.00 29.99 32.29 2dw4 n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2dw4 h TRP 552 N 0.33 0.95 -0.82 4.41 5.08 -1.03 -0.18 115.95 124.68 2dw4 h TRP 552 Ca 0.00 0.03 -0.50 0.00 1.08 0.00 0.00 58.89 59.50 2dw4 h TRP 552 Cb 0.09 -0.28 -0.27 0.00 -3.00 0.00 0.00 29.16 25.69 2dw4 h TRP 552 CO 0.00 0.17 0.38 -0.40 -1.28 0.00 0.00 178.44 177.31 2dw4 n ASP 553 N -4.74 4.95 0.23 0.11 5.75 -1.26 -4.73 116.55 116.86 2dw4 n ASP 553 Ca 0.24 -3.73 0.18 0.00 -0.01 0.00 0.00 54.79 51.47 2dw4 n ASP 553 Cb 0.66 -0.78 0.85 0.00 -1.03 0.00 0.00 41.12 40.82 2dw4 n ASP 553 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2dw4 h GLN 554 N 1.49 0.00 -0.17 0.11 -0.00 -1.33 -2.59 115.11 112.62 2dw4 h GLN 554 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 2dw4 h GLN 554 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.21 2dw4 h GLN 554 CO 1.07 0.00 0.00 -0.40 0.00 0.00 0.00 178.83 179.50 2dw4 n ASP 555 N -3.43 3.06 -0.31 -0.69 5.75 -1.26 -4.61 116.55 115.06 2dw4 n ASP 555 Ca 0.01 -1.94 0.12 0.00 -0.01 0.00 0.00 54.79 52.97 2dw4 n ASP 555 Cb 0.39 -0.10 0.30 0.00 -1.03 0.00 0.00 41.12 40.68 2dw4 n ASP 555 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2dw4 h ASP 556 N 4.30 0.42 0.03 -1.12 5.19 -1.81 -0.11 116.42 123.31 2dw4 h ASP 556 Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2dw4 h ASP 556 Cb 0.93 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2dw4 h ASP 556 CO 0.00 0.06 0.00 -0.67 -3.12 0.00 0.00 179.24 175.51 2dw4 n ASP 557 N -4.98 0.00 -0.53 6.45 2.03 -1.26 -1.62 116.55 116.64 2dw4 n ASP 557 Ca 0.21 0.41 0.05 0.00 0.52 0.00 0.00 54.79 55.98 2dw4 n ASP 557 Cb 0.61 -0.41 0.10 0.00 -0.72 0.00 0.00 41.12 40.70 2dw4 n ASP 557 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dw4 n PHE 558 N -1.41 0.23 -1.63 -0.67 3.72 -0.05 -5.02 117.46 112.62 2dw4 n PHE 558 Ca 0.00 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.74 2dw4 n PHE 558 Cb 0.01 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2dw4 n PHE 558 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dw4 n GLU 559 N 0.54 1.39 -2.09 -1.08 1.02 -0.64 -4.98 120.64 114.80 2dw4 n GLU 559 Ca 0.09 0.50 -0.28 0.00 -0.02 0.00 0.00 57.16 57.45 2dw4 n GLU 559 Cb 0.35 -2.14 0.05 0.00 -0.02 0.00 0.00 31.44 29.68 2dw4 n GLU 559 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2dw4 s PHE 560 N -1.30 3.17 0.11 -0.32 0.08 -1.26 -5.07 117.98 113.39 2dw4 s PHE 560 Ca 0.65 0.77 0.02 0.00 0.12 0.00 0.00 56.93 58.49 2dw4 s PHE 560 Cb -0.52 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 2dw4 s PHE 560 CO 0.55 -1.21 0.23 0.95 -0.10 0.00 0.00 175.22 175.65 2dw4 s THR 561 N -3.27 5.24 0.00 0.64 -4.23 -1.04 -4.86 115.64 108.12 2dw4 s THR 561 Ca 0.58 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2dw4 s THR 561 Cb -0.11 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2dw4 s THR 561 CO 0.48 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 2dw4 n GLY 562 N -0.17 2.62 3.79 3.99 0.00 -1.26 -0.69 105.19 113.46 2dw4 n GLY 562 Ca -0.06 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 2dw4 n GLY 562 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dw4 s SER 563 N 0.00 5.55 0.27 1.61 0.01 -1.26 -4.41 113.70 115.47 2dw4 s SER 563 Ca 0.00 1.93 -0.29 0.00 1.31 0.00 0.00 55.95 58.91 2dw4 s SER 563 Cb 0.00 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2dw4 s SER 563 CO 0.00 -1.33 0.96 -1.00 0.41 0.00 0.00 173.24 172.28 2dw4 s HIS 564 N -2.30 3.86 0.23 2.43 0.09 -1.26 -3.44 115.29 114.90 2dw4 s HIS 564 Ca 0.66 1.86 0.11 0.00 -0.00 0.00 0.00 55.06 57.69 2dw4 s HIS 564 Cb -0.19 -3.00 -0.05 0.00 -0.00 0.00 0.00 32.58 29.34 2dw4 s HIS 564 CO 0.36 0.27 -0.20 -0.51 -0.00 0.00 0.00 174.74 174.67 2dw4 s LEU 565 N -1.45 2.53 0.29 0.89 1.43 -0.04 -2.51 118.68 119.82 2dw4 s LEU 565 Ca 0.44 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2dw4 s LEU 565 Cb -0.25 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2dw4 s LEU 565 CO 0.31 0.02 0.03 0.28 0.23 0.00 0.00 176.35 177.22 2dw4 s THR 566 N -2.32 3.33 -0.48 5.49 -1.32 0.55 -0.54 115.64 120.35 2dw4 s THR 566 Ca 0.25 -1.86 -0.14 0.00 -1.21 0.00 0.00 61.69 58.73 2dw4 s THR 566 Cb -0.05 -2.88 0.09 0.00 -1.51 0.00 0.00 72.50 68.15 2dw4 s THR 566 CO 0.12 -0.32 0.39 -0.69 -2.21 0.00 0.00 174.62 171.90 2dw4 s VAL 567 N -2.35 4.91 0.18 5.08 1.01 -1.19 -1.41 120.40 126.64 2dw4 s VAL 567 Ca 0.33 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2dw4 s VAL 567 Cb -0.05 -4.04 0.15 0.00 0.00 0.00 0.00 36.38 32.44 2dw4 s VAL 567 CO 0.20 -0.66 1.64 0.03 0.00 0.00 0.00 175.10 176.32 2dw4 h ARG 568 N 8.69 -0.03 -0.59 2.72 3.08 -1.75 -2.65 114.38 123.86 2dw4 h ARG 568 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2dw4 h ARG 568 Cb 1.10 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2dw4 h ARG 568 CO 0.90 -0.02 0.00 0.27 -1.07 0.00 0.00 179.97 180.05 2dw4 n ASN 569 N -5.37 2.66 -0.03 7.04 6.94 -1.26 -4.97 115.26 120.26 2dw4 n ASN 569 Ca 0.04 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 2dw4 n ASN 569 Cb 0.27 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 2dw4 n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dw4 n GLY 570 N 0.68 -1.15 0.28 4.83 0.00 -1.00 -4.77 105.19 104.06 2dw4 n GLY 570 Ca 0.13 -1.13 0.18 0.00 0.00 0.00 0.00 46.02 45.20 2dw4 n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2dw4 h TYR 571 N 0.00 0.00 0.00 1.61 -0.00 -1.84 -2.87 116.97 113.87 2dw4 h TYR 571 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2dw4 h TYR 571 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2dw4 h TYR 571 CO 0.00 0.00 0.02 0.66 -0.00 0.00 0.00 178.16 178.84 2dw4 h SER 572 N 0.00 0.00 -0.37 -2.11 4.64 -1.89 -1.53 113.55 112.30 2dw4 h SER 572 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2dw4 h SER 572 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2dw4 h SER 572 CO 0.00 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.23 2dw4 h VAL 574 N 0.00 0.00 -0.86 0.00 2.07 -1.55 -1.92 116.25 113.99 2dw4 h VAL 574 Ca 0.17 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2dw4 h VAL 574 Cb 0.71 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2dw4 h VAL 574 CO -0.00 0.00 0.57 1.55 0.02 0.00 0.00 177.57 179.71 2dw4 h PRO 575 N -1.15 1.07 -0.67 1.57 0.13 -1.68 -0.12 132.00 131.16 2dw4 h PRO 575 Ca -0.07 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2dw4 h PRO 575 Cb 0.49 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 31.34 2dw4 h PRO 575 CO 0.11 0.71 0.43 0.28 -0.23 0.00 0.00 178.00 179.30 2dw4 h VAL 576 N 1.11 1.12 -0.08 1.56 2.07 -1.28 -1.17 116.25 119.58 2dw4 h VAL 576 Ca 0.33 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 2dw4 h VAL 576 Cb -0.04 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2dw4 h VAL 576 CO -0.09 0.16 -0.55 0.00 0.02 0.00 0.00 177.57 177.11 2dw4 h ALA 577 N 1.27 0.93 0.00 1.67 0.00 -0.61 -2.87 119.26 119.65 2dw4 h ALA 577 Ca 0.26 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2dw4 h ALA 577 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2dw4 h ALA 577 CO -0.08 0.69 -0.31 -0.07 0.00 0.00 0.00 179.25 179.48 2dw4 h LEU 578 N 0.18 0.00 -0.64 0.00 3.38 -0.57 -3.00 115.31 114.66 2dw4 h LEU 578 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dw4 h LEU 578 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2dw4 h LEU 578 CO 0.08 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2dw4 h ALA 579 N 1.69 1.00 -1.08 1.53 0.00 -0.99 -3.46 119.26 117.96 2dw4 h ALA 579 Ca -0.00 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.14 2dw4 h ALA 579 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dw4 h ALA 579 CO 0.04 0.00 1.02 -1.91 0.00 0.00 0.00 179.25 178.40 2dw4 n GLU 580 N -2.89 0.68 -0.90 0.00 2.13 -1.14 -1.35 120.64 117.18 2dw4 n GLU 580 Ca 0.03 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2dw4 n GLU 580 Cb 0.40 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.18 2dw4 n GLU 580 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dw4 n GLY 581 N 5.12 0.73 3.94 8.31 0.00 -1.26 -5.05 105.19 116.98 2dw4 n GLY 581 Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 2dw4 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dw4 s LEU 582 N 0.00 4.24 -0.84 0.99 1.43 -0.46 -5.03 118.68 119.01 2dw4 s LEU 582 Ca 0.00 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 2dw4 s LEU 582 Cb 0.00 -3.10 0.09 0.00 0.03 0.00 0.00 46.19 43.22 2dw4 s LEU 582 CO 0.00 -0.04 1.14 -0.62 0.23 0.00 0.00 176.35 177.06 2dw4 s ASP 583 N -3.31 6.43 -0.19 2.29 2.15 -1.26 -5.00 116.67 117.78 2dw4 s ASP 583 Ca 0.37 -1.50 -0.04 0.00 0.43 0.00 0.00 52.55 51.81 2dw4 s ASP 583 Cb -0.11 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2dw4 s ASP 583 CO 0.29 -1.31 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.33 2dw4 s ILE 584 N 3.72 3.82 -0.47 4.11 1.01 -1.26 -1.53 121.20 130.60 2dw4 s ILE 584 Ca 0.32 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2dw4 s ILE 584 Cb -0.08 -2.72 0.12 0.00 0.01 0.00 0.00 42.46 39.79 2dw4 s ILE 584 CO -0.02 0.44 0.36 -0.54 0.00 0.00 0.00 174.94 175.18 2dw4 s LYS 585 N 0.94 2.57 0.90 2.79 1.02 0.05 -4.99 119.74 123.02 2dw4 s LYS 585 Ca 0.01 -1.72 -0.13 0.00 0.02 0.00 0.00 55.97 54.15 2dw4 s LYS 585 Cb -0.14 -3.96 0.14 0.00 -0.52 0.00 0.00 37.83 33.34 2dw4 s LYS 585 CO 0.01 -1.18 1.17 -0.51 -0.92 0.00 0.00 175.35 173.92 2dw4 s LEU 586 N 1.40 2.17 -1.29 3.17 1.43 -1.26 -1.05 118.68 123.25 2dw4 s LEU 586 Ca 0.05 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2dw4 s LEU 586 Cb -0.26 -3.11 0.11 0.00 0.03 0.00 0.00 46.19 42.96 2dw4 s LEU 586 CO 0.00 -2.48 0.49 0.59 0.23 0.00 0.00 176.35 175.19 2dw4 n ASN 587 N -3.69 -2.91 -3.89 2.29 5.03 0.56 -4.84 115.26 107.81 2dw4 n ASN 587 Ca 0.08 -0.54 -0.30 0.00 0.87 0.00 0.00 54.58 54.69 2dw4 n ASN 587 Cb 0.60 -2.44 -0.15 0.00 -1.02 0.00 0.00 39.78 36.76 2dw4 n ASN 587 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2dw4 s THR 588 N -2.92 1.62 -0.45 3.41 2.01 -0.03 -1.18 115.64 118.11 2dw4 s THR 588 Ca 0.49 -1.88 -0.19 0.00 0.31 0.00 0.00 61.69 60.42 2dw4 s THR 588 Cb -0.27 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.07 2dw4 s THR 588 CO 0.60 -0.62 0.54 0.00 -0.69 0.00 0.00 174.62 174.45 2dw4 s ALA 589 N 1.24 3.40 0.45 7.40 0.00 -0.55 -2.28 121.76 131.42 2dw4 s ALA 589 Ca 0.10 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.32 2dw4 s ALA 589 Cb -0.18 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2dw4 s ALA 589 CO -0.16 -1.75 1.40 0.08 0.00 0.00 0.00 175.76 175.34 2dw4 s VAL 590 N 2.44 2.16 0.00 0.00 1.01 -1.26 -1.65 120.40 123.10 2dw4 s VAL 590 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2dw4 s VAL 590 Cb -0.17 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2dw4 s VAL 590 CO 0.15 0.02 0.00 0.54 0.00 0.00 0.00 175.10 175.81 2dw4 n ARG 591 N -0.19 3.27 -3.71 2.72 3.00 0.15 -4.74 116.66 117.17 2dw4 n ARG 591 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.77 2dw4 n ARG 591 Cb 0.42 -0.65 -0.10 0.00 0.00 0.00 0.00 32.46 32.14 2dw4 n ARG 591 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2dw4 s GLN 592 N -0.83 0.51 -0.21 5.56 0.74 -1.04 -0.58 119.66 123.81 2dw4 s GLN 592 Ca 0.00 0.70 0.02 0.00 0.05 0.00 0.00 55.36 56.13 2dw4 s GLN 592 Cb 0.00 0.19 0.04 0.00 1.10 0.00 0.00 33.01 34.34 2dw4 s GLN 592 CO 0.00 -0.09 -0.15 0.08 -0.55 0.00 0.00 175.29 174.58 2dw4 s VAL 593 N 0.57 2.00 -0.14 1.34 1.01 0.81 -1.02 120.40 124.96 2dw4 s VAL 593 Ca -0.03 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 2dw4 s VAL 593 Cb -0.04 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2dw4 s VAL 593 CO -0.03 0.29 -0.08 -0.13 0.00 0.00 0.00 175.10 175.14 2dw4 s ARG 594 N 1.26 3.53 -0.01 2.72 0.52 -0.43 -0.54 118.95 126.01 2dw4 s ARG 594 Ca -0.01 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 2dw4 s ARG 594 Cb -0.16 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.53 2dw4 s ARG 594 CO -0.09 0.22 -0.00 1.52 0.02 0.00 0.00 175.30 176.96 2dw4 s TYR 595 N 0.38 0.10 0.25 -0.53 1.13 -0.65 -0.75 117.35 117.27 2dw4 s TYR 595 Ca -0.07 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.61 2dw4 s TYR 595 Cb -0.15 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 2dw4 s TYR 595 CO 0.04 -0.03 0.15 0.95 -2.51 0.00 0.00 175.55 174.16 2dw4 s THR 596 N 0.25 0.15 -1.83 -3.49 -4.23 0.17 -4.40 115.64 102.27 2dw4 s THR 596 Ca -0.02 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2dw4 s THR 596 Cb -0.04 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.47 2dw4 s THR 596 CO -0.01 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.04 2dw4 n ALA 597 N -0.41 1.71 0.08 3.99 0.00 -1.26 -1.95 120.51 122.67 2dw4 n ALA 597 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.43 2dw4 n ALA 597 Cb 0.65 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 2dw4 n ALA 597 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dw4 n SER 598 N -1.09 0.61 0.00 0.00 3.41 -1.26 -4.91 113.62 110.38 2dw4 n SER 598 Ca 0.05 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2dw4 n SER 598 Cb 0.04 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2dw4 n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dw4 n GLY 599 N 0.59 -0.60 3.25 5.00 0.00 -0.82 -5.00 105.19 107.61 2dw4 n GLY 599 Ca 0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 2dw4 n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dw4 s GLU 601 N -3.96 -0.01 -0.16 0.00 2.02 0.07 -1.53 118.70 115.13 2dw4 s GLU 601 Ca 0.28 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.34 2dw4 s GLU 601 Cb 0.07 -0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.23 2dw4 s GLU 601 CO 0.07 -0.05 -0.20 0.08 0.02 0.00 0.00 175.26 175.17 2dw4 s VAL 602 N 0.33 2.00 -0.15 2.63 1.01 0.92 -1.31 120.40 125.83 2dw4 s VAL 602 Ca -0.03 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 2dw4 s VAL 602 Cb -0.04 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2dw4 s VAL 602 CO -0.01 0.53 0.10 -0.63 0.00 0.00 0.00 175.10 175.09 2dw4 s ILE 603 N 1.11 5.12 0.21 2.22 1.01 -0.19 -0.84 121.20 129.84 2dw4 s ILE 603 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 2dw4 s ILE 603 Cb -0.14 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2dw4 s ILE 603 CO -0.08 0.53 0.18 0.00 0.00 0.00 0.00 174.94 175.58 2dw4 s ALA 604 N -0.32 1.03 0.02 9.38 0.00 -0.63 0.30 121.76 131.54 2dw4 s ALA 604 Ca 0.10 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2dw4 s ALA 604 Cb -0.12 1.35 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 2dw4 s ALA 604 CO 0.01 -0.63 -0.06 0.14 0.00 0.00 0.00 175.76 175.23 2dw4 s VAL 605 N -4.10 0.40 0.31 0.00 -7.23 -0.66 -0.60 120.40 108.53 2dw4 s VAL 605 Ca 0.37 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 2dw4 s VAL 605 Cb 0.06 -0.45 -0.10 0.00 0.56 0.00 0.00 36.38 36.45 2dw4 s VAL 605 CO 0.12 -0.25 1.33 0.21 -0.31 0.00 0.00 175.10 176.21 2dw4 s ASN 606 N -1.08 6.74 0.00 4.85 3.84 -1.06 -1.48 114.94 126.75 2dw4 s ASN 606 Ca -0.07 2.69 0.24 0.00 0.21 0.00 0.00 52.86 55.92 2dw4 s ASN 606 Cb -0.07 -2.64 0.55 0.00 -0.55 0.00 0.00 41.25 38.54 2dw4 s ASN 606 CO 0.00 -0.57 1.46 0.35 -2.79 0.00 0.00 177.10 175.55 2dw4 n THR 607 N 1.11 0.20 -0.07 -5.21 -2.24 -0.32 -2.96 114.28 104.79 2dw4 n THR 607 Ca 0.01 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 2dw4 n THR 607 Cb 0.41 0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 69.39 2dw4 n THR 607 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dw4 n ARG 608 N 0.94 0.88 -3.27 -0.78 5.12 -1.26 -4.71 116.66 113.57 2dw4 n ARG 608 Ca 0.17 -0.06 -0.21 0.00 -1.93 0.00 0.00 57.85 55.82 2dw4 n ARG 608 Cb 0.49 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 30.24 2dw4 n ARG 608 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2dw4 s SER 609 N -4.97 0.94 0.00 0.55 0.01 -1.25 -5.01 113.70 103.97 2dw4 s SER 609 Ca -0.09 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.63 2dw4 s SER 609 Cb 0.08 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2dw4 s SER 609 CO 0.77 -0.17 0.21 0.35 0.41 0.00 0.00 173.24 174.82 2dw4 n THR 610 N 3.14 0.00 0.08 1.44 -2.24 -1.16 -2.62 114.28 112.92 2dw4 n THR 610 Ca 0.24 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.93 2dw4 n THR 610 Cb 0.48 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.84 2dw4 n THR 610 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2dw4 h SER 611 N 0.00 -0.24 -3.11 3.42 4.64 -1.95 -3.45 113.55 112.85 2dw4 h SER 611 Ca 0.00 -0.23 -0.55 0.00 -0.47 0.00 0.00 61.79 60.54 2dw4 h SER 611 Cb 0.00 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2dw4 h SER 611 CO 0.00 0.28 0.66 0.00 -0.87 0.00 0.00 176.83 176.91 2dw4 s GLN 612 N -3.19 4.37 -0.21 4.77 -2.07 -1.08 -5.01 119.66 117.24 2dw4 s GLN 612 Ca -0.10 1.71 0.01 0.00 -1.82 0.00 0.00 55.36 55.15 2dw4 s GLN 612 Cb 0.00 -3.51 0.03 0.00 -1.09 0.00 0.00 33.01 28.45 2dw4 s GLN 612 CO 0.37 -0.40 -0.15 0.95 -1.32 0.00 0.00 175.29 174.74 2dw4 s THR 613 N 1.91 2.30 0.40 3.63 -4.23 -1.26 -2.57 115.64 115.82 2dw4 s THR 613 Ca 0.57 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 2dw4 s THR 613 Cb -0.26 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 2dw4 s THR 613 CO 0.24 0.37 0.83 -0.36 -0.54 0.00 0.00 174.62 175.17 2dw4 s PHE 614 N 1.27 3.40 -0.18 3.99 0.08 0.23 -4.90 117.98 121.87 2dw4 s PHE 614 Ca 0.02 1.30 -0.01 0.00 0.12 0.00 0.00 56.93 58.35 2dw4 s PHE 614 Cb -0.15 -2.62 0.05 0.00 -0.57 0.00 0.00 43.02 39.73 2dw4 s PHE 614 CO -0.10 -0.08 -0.01 0.42 -0.10 0.00 0.00 175.22 175.35 2dw4 s ILE 615 N -2.24 0.85 -0.23 0.64 1.01 -1.26 -1.60 121.20 118.36 2dw4 s ILE 615 Ca 0.56 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2dw4 s ILE 615 Cb -0.10 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 2dw4 s ILE 615 CO 0.23 -0.05 0.01 -0.31 0.00 0.00 0.00 174.94 174.82 2dw4 s TYR 616 N 1.73 3.02 0.19 3.97 2.02 -0.02 -4.92 117.35 123.33 2dw4 s TYR 616 Ca -0.01 -0.69 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 2dw4 s TYR 616 Cb -0.16 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.16 2dw4 s TYR 616 CO -0.07 -0.45 0.49 0.15 -1.57 0.00 0.00 175.55 174.09 2dw4 s LYS 617 N 1.53 3.75 0.10 -0.62 1.02 -1.26 -0.06 119.74 124.20 2dw4 s LYS 617 Ca 0.06 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.95 2dw4 s LYS 617 Cb -0.15 -2.73 0.08 0.00 -0.52 0.00 0.00 37.83 34.52 2dw4 s LYS 617 CO 0.00 0.38 1.08 0.00 -0.92 0.00 0.00 175.35 175.89 2dw4 n ASP 619 N -0.63 0.76 -3.70 0.00 9.92 0.31 -0.30 116.55 122.92 2dw4 n ASP 619 Ca -0.06 0.32 -0.14 0.00 -0.53 0.00 0.00 54.79 54.38 2dw4 n ASP 619 Cb 0.61 0.44 -0.08 0.00 -0.64 0.00 0.00 41.12 41.45 2dw4 n ASP 619 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dw4 s ALA 620 N -3.13 -1.08 -0.09 2.24 0.00 -1.11 -4.60 121.76 114.00 2dw4 s ALA 620 Ca -0.03 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2dw4 s ALA 620 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2dw4 s ALA 620 CO 0.81 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 176.18 2dw4 s VAL 621 N -0.98 2.49 -0.30 0.00 1.01 -0.51 -1.52 120.40 120.60 2dw4 s VAL 621 Ca -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2dw4 s VAL 621 Cb -0.04 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2dw4 s VAL 621 CO 0.05 0.56 0.00 -0.22 0.00 0.00 0.00 175.10 175.49 2dw4 s LEU 622 N 0.02 3.93 -0.32 3.92 2.96 -0.03 0.26 118.68 129.42 2dw4 s LEU 622 Ca -0.07 -1.30 -0.22 0.00 -0.22 0.00 0.00 54.13 52.31 2dw4 s LEU 622 Cb -0.15 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2dw4 s LEU 622 CO 0.05 -0.27 0.72 0.00 -1.32 0.00 0.00 176.35 175.53 2dw4 n THR 624 N 5.53 2.18 -1.73 0.00 -2.24 -0.48 -1.80 114.28 115.74 2dw4 n THR 624 Ca 0.02 -2.11 -0.42 0.00 -2.27 0.00 0.00 64.05 59.26 2dw4 n THR 624 Cb 0.48 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 2dw4 n THR 624 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dw4 n LEU 625 N -0.88 4.08 -4.71 3.22 4.77 -1.25 -4.81 117.00 117.42 2dw4 n LEU 625 Ca 0.21 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.99 2dw4 n LEU 625 Cb 0.82 -1.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.43 2dw4 n LEU 625 CO 0.11 -0.06 0.83 -2.65 -1.33 0.00 0.00 177.39 174.28 2dw4 n PRO 626 N 1.57 0.99 -0.33 3.23 -0.02 -1.26 -4.76 135.00 134.41 2dw4 n PRO 626 Ca 0.07 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 2dw4 n PRO 626 Cb 0.36 -2.47 0.27 0.00 -0.02 0.00 0.00 33.50 31.64 2dw4 n PRO 626 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2dw4 h LEU 627 N 0.37 0.87 -1.57 2.45 5.85 -1.91 0.48 115.31 121.85 2dw4 h LEU 627 Ca -0.50 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.27 2dw4 h LEU 627 Cb 1.34 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2dw4 h LEU 627 CO 0.52 0.48 0.31 1.23 -0.34 0.00 0.00 178.44 180.63 2dw4 h GLY 628 N 0.94 0.63 1.28 3.75 0.00 -1.85 -0.34 103.07 107.47 2dw4 h GLY 628 Ca 0.47 -0.23 -0.27 0.00 0.00 0.00 0.00 47.33 47.30 2dw4 h GLY 628 CO -0.23 0.21 -1.07 -2.08 0.00 0.00 0.00 176.54 173.37 2dw4 h VAL 629 N 0.58 1.30 0.00 4.60 2.07 -1.05 -2.95 116.25 120.80 2dw4 h VAL 629 Ca 0.18 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2dw4 h VAL 629 Cb 0.00 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2dw4 h VAL 629 CO -0.04 0.71 -0.09 -0.07 0.02 0.00 0.00 177.57 178.10 2dw4 h LEU 630 N 0.34 0.00 0.00 2.57 3.38 -0.27 -2.37 115.31 118.97 2dw4 h LEU 630 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2dw4 h LEU 630 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2dw4 h LEU 630 CO 0.21 0.09 -0.64 0.11 0.09 0.00 0.00 178.44 178.29 2dw4 h LYS 631 N 0.00 0.00 -6.34 1.13 1.57 -1.05 -3.49 116.57 108.40 2dw4 h LYS 631 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2dw4 h LYS 631 Cb 0.29 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.67 2dw4 h LYS 631 CO 0.01 0.00 0.42 0.94 -0.57 0.00 0.00 179.45 180.25 2dw4 n GLN 632 N -2.14 1.30 -3.79 3.15 7.27 -0.89 -4.97 117.38 117.30 2dw4 n GLN 632 Ca 0.03 0.47 -0.25 0.00 0.07 0.00 0.00 57.00 57.32 2dw4 n GLN 632 Cb 0.44 -2.06 -0.17 0.00 2.41 0.00 0.00 30.24 30.86 2dw4 n GLN 632 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2dw4 s GLN 633 N 0.13 0.81 0.80 3.69 -1.52 -1.26 -2.32 119.66 119.99 2dw4 s GLN 633 Ca 0.78 -0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.96 2dw4 s GLN 633 Cb -0.87 -1.40 0.08 0.00 -0.22 0.00 0.00 33.01 30.60 2dw4 s GLN 633 CO 0.48 -0.39 1.15 -2.14 -0.25 0.00 0.00 175.29 174.15 2dw4 s PRO 634 N 1.88 1.82 0.59 2.91 0.02 -1.26 -5.10 135.00 135.85 2dw4 s PRO 634 Ca 0.03 1.51 -0.20 0.00 0.02 0.00 0.00 61.00 62.37 2dw4 s PRO 634 Cb -0.14 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2dw4 s PRO 634 CO -0.06 -2.03 1.26 -1.25 -0.33 0.00 0.00 177.00 174.59 2dw4 s PRO 635 N -4.43 2.94 0.17 5.54 0.04 -0.98 -4.96 135.00 133.32 2dw4 s PRO 635 Ca 0.68 1.99 0.18 0.00 0.04 0.00 0.00 61.00 63.88 2dw4 s PRO 635 Cb -0.23 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2dw4 s PRO 635 CO 0.52 -1.27 1.07 0.00 0.04 0.00 0.00 177.00 177.36 2dw4 h ALA 636 N 1.00 0.65 -3.06 8.56 0.00 -1.80 -3.45 119.26 121.15 2dw4 h ALA 636 Ca -0.51 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 53.67 2dw4 h ALA 636 Cb 1.31 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.91 2dw4 h ALA 636 CO 0.55 0.60 -0.52 0.54 0.00 0.00 0.00 179.25 180.42 2dw4 s VAL 637 N -3.04 -0.07 0.18 0.00 0.11 -1.26 -4.63 120.40 111.69 2dw4 s VAL 637 Ca -0.00 0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.01 2dw4 s VAL 637 Cb 0.08 -0.35 -0.08 0.00 -1.53 0.00 0.00 36.38 34.50 2dw4 s VAL 637 CO 0.78 0.07 0.71 -1.58 -3.33 0.00 0.00 175.10 171.75 2dw4 s GLN 638 N 1.35 4.31 -0.19 1.54 0.74 0.26 -4.91 119.66 122.75 2dw4 s GLN 638 Ca -0.08 0.90 -0.03 0.00 0.05 0.00 0.00 55.36 56.20 2dw4 s GLN 638 Cb -0.11 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 2dw4 s GLN 638 CO -0.08 0.47 -0.07 -0.06 -0.55 0.00 0.00 175.29 175.00 2dw4 s PHE 639 N -1.38 2.92 -0.24 1.67 0.08 -1.26 -0.14 117.98 119.64 2dw4 s PHE 639 Ca 0.39 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2dw4 s PHE 639 Cb -0.18 -2.02 0.06 0.00 -0.57 0.00 0.00 43.02 40.30 2dw4 s PHE 639 CO 0.22 -0.43 -0.08 0.08 -0.10 0.00 0.00 175.22 174.91 2dw4 s VAL 640 N 1.10 1.73 1.01 -0.44 1.01 0.30 -1.66 120.40 123.45 2dw4 s VAL 640 Ca 0.01 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 2dw4 s VAL 640 Cb -0.15 -1.93 0.20 0.00 0.00 0.00 0.00 36.38 34.50 2dw4 s VAL 640 CO -0.01 -0.04 1.08 -2.84 0.00 0.00 0.00 175.10 173.28 2dw4 s PRO 641 N 1.31 0.30 0.54 2.72 0.02 -1.26 -1.64 135.00 137.00 2dw4 s PRO 641 Ca -0.06 0.90 -0.20 0.00 0.02 0.00 0.00 61.00 61.65 2dw4 s PRO 641 Cb -0.19 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 2dw4 s PRO 641 CO -0.06 -2.92 1.18 -2.14 -0.33 0.00 0.00 177.00 172.73 2dw4 s PRO 642 N -4.72 3.30 0.67 5.54 0.02 -0.66 -4.95 135.00 134.19 2dw4 s PRO 642 Ca 0.66 1.77 -0.17 0.00 0.02 0.00 0.00 61.00 63.27 2dw4 s PRO 642 Cb -0.21 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 2dw4 s PRO 642 CO 0.60 -0.93 1.17 1.28 -0.33 0.00 0.00 177.00 178.79 2dw4 n LEU 643 N -1.20 5.10 -4.64 -5.54 4.77 -1.26 -4.95 117.00 109.28 2dw4 n LEU 643 Ca 0.11 0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 56.54 2dw4 n LEU 643 Cb 0.49 -1.50 0.13 0.00 -2.33 0.00 0.00 43.42 40.22 2dw4 n LEU 643 CO 0.45 -1.38 0.60 -2.65 -1.33 0.00 0.00 177.39 173.08 2dw4 n PRO 644 N -1.87 0.02 0.05 3.23 -0.02 -1.26 -4.78 135.00 130.36 2dw4 n PRO 644 Ca 0.15 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2dw4 n PRO 644 Cb 0.48 -2.32 0.27 0.00 -0.02 0.00 0.00 33.50 31.92 2dw4 n PRO 644 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2dw4 h GLU 645 N -1.12 0.39 0.00 -0.52 4.22 -1.99 -2.03 114.58 113.53 2dw4 h GLU 645 Ca -0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 58.83 2dw4 h GLU 645 Cb 1.30 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2dw4 h GLU 645 CO 0.43 0.57 -0.16 0.11 -2.18 0.00 0.00 179.01 177.79 2dw4 h TRP 646 N 0.36 0.00 0.05 0.92 5.08 -2.00 -1.54 115.95 118.82 2dw4 h TRP 646 Ca 0.06 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.88 2dw4 h TRP 646 Cb 0.54 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.70 2dw4 h TRP 646 CO 0.01 0.16 -0.76 -0.22 -1.28 0.00 0.00 178.44 176.35 2dw4 h LYS 647 N 0.00 0.10 -0.21 0.12 1.63 -1.77 -3.26 116.57 113.19 2dw4 h LYS 647 Ca -0.00 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 2dw4 h LYS 647 Cb 0.39 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2dw4 h LYS 647 CO 0.02 1.08 -0.21 1.79 -3.45 0.00 0.00 179.45 178.68 2dw4 h THR 648 N -0.75 1.24 0.00 1.00 1.35 -1.31 -1.72 112.91 112.73 2dw4 h THR 648 Ca -0.18 -1.12 -0.11 0.00 -0.55 0.00 0.00 66.41 64.45 2dw4 h THR 648 Cb 1.35 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 2dw4 h THR 648 CO -0.02 0.35 -0.52 0.77 -0.25 0.00 0.00 175.52 175.85 2dw4 h SER 649 N 0.34 0.00 -0.31 5.36 4.64 -1.44 -0.07 113.55 122.07 2dw4 h SER 649 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2dw4 h SER 649 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2dw4 h SER 649 CO 0.04 0.52 -0.14 0.00 -0.87 0.00 0.00 176.83 176.38 2dw4 h ALA 650 N 1.48 0.43 -0.96 5.18 0.00 -1.46 -0.93 119.26 123.00 2dw4 h ALA 650 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2dw4 h ALA 650 Cb 0.93 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2dw4 h ALA 650 CO 0.07 0.32 0.63 0.28 0.00 0.00 0.00 179.25 180.55 2dw4 h VAL 651 N 0.40 1.13 -0.11 0.00 2.07 -0.75 -2.04 116.25 116.94 2dw4 h VAL 651 Ca 0.07 -0.40 -0.20 0.00 0.82 0.00 0.00 66.70 66.98 2dw4 h VAL 651 Cb 0.67 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2dw4 h VAL 651 CO 0.04 0.21 -0.76 1.56 0.02 0.00 0.00 177.57 178.65 2dw4 h GLN 652 N 1.17 0.59 -0.25 1.57 4.20 -0.78 -3.31 115.11 118.30 2dw4 h GLN 652 Ca 0.40 -0.48 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 2dw4 h GLN 652 Cb 0.09 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2dw4 h GLN 652 CO -0.14 1.11 -0.24 0.00 -0.67 0.00 0.00 178.83 178.90 2dw4 h ARG 653 N 0.40 0.59 -6.95 1.46 3.08 -0.83 -3.45 114.38 108.68 2dw4 h ARG 653 Ca -0.04 -0.31 -0.56 0.00 0.07 0.00 0.00 59.98 59.14 2dw4 h ARG 653 Cb 1.36 0.01 0.13 0.00 0.08 0.00 0.00 29.97 31.55 2dw4 h ARG 653 CO 0.14 0.90 0.55 -1.33 -1.07 0.00 0.00 179.97 179.17 2dw4 n MET 654 N -4.36 1.81 -3.19 0.04 2.81 -0.80 -4.56 117.12 108.87 2dw4 n MET 654 Ca -0.04 0.65 -0.30 0.00 -1.81 0.00 0.00 57.70 56.20 2dw4 n MET 654 Cb 0.43 -2.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.41 2dw4 n MET 654 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dw4 s GLY 655 N -0.74 2.02 -0.16 3.03 0.00 -0.55 -4.89 107.32 106.03 2dw4 s GLY 655 Ca 0.67 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 45.03 2dw4 s GLY 655 CO 0.53 -0.19 0.03 -0.12 0.00 0.00 0.00 173.10 173.35 2dw4 s PHE 656 N -2.11 0.89 0.00 1.90 5.36 -1.26 -2.10 117.98 120.67 2dw4 s PHE 656 Ca 0.48 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2dw4 s PHE 656 Cb -0.11 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.62 2dw4 s PHE 656 CO 0.27 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 2dw4 n GLY 657 N 5.09 0.04 3.48 13.12 0.00 0.83 -4.90 105.19 122.85 2dw4 n GLY 657 Ca -0.08 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 43.95 2dw4 n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dw4 s ASN 658 N -1.00 -0.59 -0.16 1.61 3.04 0.16 -0.94 114.94 117.06 2dw4 s ASN 658 Ca 0.00 0.63 -0.30 0.00 0.04 0.00 0.00 52.86 53.23 2dw4 s ASN 658 Cb 0.00 0.51 0.12 0.00 -1.54 0.00 0.00 41.25 40.34 2dw4 s ASN 658 CO 0.00 -0.58 0.96 -1.48 -3.04 0.00 0.00 177.10 172.96 2dw4 s LEU 659 N -1.19 -0.41 0.17 3.21 0.05 -1.26 -4.23 118.68 115.01 2dw4 s LEU 659 Ca -0.11 0.49 0.01 0.00 0.05 0.00 0.00 54.13 54.57 2dw4 s LEU 659 Cb -0.01 1.94 -0.05 0.00 -2.05 0.00 0.00 46.19 46.03 2dw4 s LEU 659 CO 0.09 -0.35 0.01 0.20 -0.55 0.00 0.00 176.35 175.75 2dw4 s ASN 660 N -0.97 1.07 0.04 1.48 0.01 -0.94 -4.61 114.94 111.02 2dw4 s ASN 660 Ca -0.02 -1.19 0.04 0.00 -0.71 0.00 0.00 52.86 50.98 2dw4 s ASN 660 Cb -0.01 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.78 2dw4 s ASN 660 CO 0.02 -0.60 -0.12 -0.54 -1.51 0.00 0.00 177.10 174.35 2dw4 s LYS 661 N -3.94 0.75 -0.17 -0.60 1.02 -1.26 -1.20 119.74 114.34 2dw4 s LYS 661 Ca 0.24 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2dw4 s LYS 661 Cb 0.06 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.69 2dw4 s LYS 661 CO 0.04 0.16 -0.18 0.08 -0.92 0.00 0.00 175.35 174.53 2dw4 s VAL 662 N -1.00 2.29 -0.27 3.17 1.01 -0.23 -1.79 120.40 123.58 2dw4 s VAL 662 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2dw4 s VAL 662 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2dw4 s VAL 662 CO 0.01 0.53 0.33 -0.69 0.00 0.00 0.00 175.10 175.27 2dw4 s VAL 663 N 1.08 5.21 -0.35 2.92 1.01 0.21 -1.54 120.40 128.95 2dw4 s VAL 663 Ca -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2dw4 s VAL 663 Cb -0.14 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2dw4 s VAL 663 CO -0.07 0.19 0.10 -0.76 0.00 0.00 0.00 175.10 174.56 2dw4 s LEU 664 N 1.95 4.57 -0.22 3.92 1.43 0.39 -2.01 118.68 128.72 2dw4 s LEU 664 Ca 0.13 -1.63 -0.16 0.00 -1.03 0.00 0.00 54.13 51.44 2dw4 s LEU 664 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2dw4 s LEU 664 CO 0.10 -0.40 0.42 0.00 0.23 0.00 0.00 176.35 176.71 2dw4 s PHE 666 N 1.57 2.58 -2.75 0.00 0.08 0.18 0.66 117.98 120.29 2dw4 s PHE 666 Ca 0.19 -0.53 0.23 0.00 0.12 0.00 0.00 56.93 56.94 2dw4 s PHE 666 Cb -0.15 -1.74 0.28 0.00 -0.57 0.00 0.00 43.02 40.84 2dw4 s PHE 666 CO 0.09 0.34 1.31 -0.40 -0.10 0.00 0.00 175.22 176.46 2dw4 n ASP 667 N -1.08 3.17 -3.85 1.36 3.85 -1.26 -4.41 116.55 114.33 2dw4 n ASP 667 Ca -0.03 -1.99 -0.11 0.00 -0.71 0.00 0.00 54.79 51.96 2dw4 n ASP 667 Cb 0.64 -0.10 -0.09 0.00 -1.35 0.00 0.00 41.12 40.22 2dw4 n ASP 667 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2dw4 s ARG 668 N -1.77 0.67 -0.43 0.11 0.52 -1.26 -4.97 118.95 111.81 2dw4 s ARG 668 Ca 0.32 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.80 2dw4 s ARG 668 Cb 0.21 0.28 0.06 0.00 0.52 0.00 0.00 34.95 36.01 2dw4 s ARG 668 CO 0.30 -0.19 0.31 0.08 0.02 0.00 0.00 175.30 175.82 2dw4 s VAL 669 N -2.42 4.80 -2.33 3.52 1.01 -1.26 -4.85 120.40 118.88 2dw4 s VAL 669 Ca -0.06 -1.08 0.19 0.00 0.00 0.00 0.00 61.98 61.03 2dw4 s VAL 669 Cb -0.02 -3.83 0.19 0.00 0.00 0.00 0.00 36.38 32.72 2dw4 s VAL 669 CO -0.03 -0.46 1.14 2.22 0.00 0.00 0.00 175.10 177.97 2dw4 n PHE 670 N 5.07 0.07 -3.45 5.22 1.16 -1.26 -4.98 117.46 119.30 2dw4 n PHE 670 Ca -0.11 -0.05 -0.22 0.00 -1.87 0.00 0.00 57.45 55.20 2dw4 n PHE 670 Cb 0.44 -0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.32 2dw4 n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2dw4 s TRP 671 N -1.54 1.90 -0.49 2.97 -2.14 -1.26 -5.04 118.94 113.34 2dw4 s TRP 671 Ca 0.24 -0.68 -0.28 0.00 2.66 0.00 0.00 56.10 58.03 2dw4 s TRP 671 Cb 0.16 -2.11 0.01 0.00 -3.10 0.00 0.00 33.47 28.43 2dw4 s TRP 671 CO 0.24 -0.62 1.46 0.34 -2.66 0.00 0.00 176.95 175.71 2dw4 s ASP 672 N -4.38 6.15 0.30 -2.66 -1.08 -1.26 -4.90 116.67 108.84 2dw4 s ASP 672 Ca 0.48 0.57 0.24 0.00 -0.52 0.00 0.00 52.55 53.32 2dw4 s ASP 672 Cb -0.04 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 39.97 2dw4 s ASP 672 CO 0.30 -1.63 1.72 1.55 0.52 0.00 0.00 175.17 177.62 2dw4 h PRO 673 N 11.24 0.00 -0.10 4.34 0.13 -1.96 -1.96 132.00 143.69 2dw4 h PRO 673 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2dw4 h PRO 673 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dw4 h PRO 673 CO 1.13 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.77 2dw4 n SER 674 N -2.29 1.75 -4.23 1.44 3.41 -1.26 -4.76 113.62 107.67 2dw4 n SER 674 Ca 0.01 -1.64 -0.34 0.00 -0.26 0.00 0.00 58.87 56.64 2dw4 n SER 674 Cb 0.16 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 2dw4 n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2dw4 s VAL 675 N -1.89 2.65 0.01 -3.33 1.01 -0.74 -5.00 120.40 113.12 2dw4 s VAL 675 Ca 0.35 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.68 2dw4 s VAL 675 Cb 0.19 -2.14 -0.20 0.00 0.00 0.00 0.00 36.38 34.23 2dw4 s VAL 675 CO 0.30 0.50 0.98 0.78 0.00 0.00 0.00 175.10 177.66 2dw4 h ASN 676 N 7.66 0.00 -4.65 3.32 -0.26 -1.82 -3.44 115.58 116.39 2dw4 h ASN 676 Ca -0.38 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.07 2dw4 h ASN 676 Cb 1.17 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.21 2dw4 h ASN 676 CO 0.60 0.95 -0.74 -0.76 -1.06 0.00 0.00 177.43 176.41 2dw4 s LEU 677 N -6.35 2.23 -0.12 1.61 1.43 -1.26 -1.82 118.68 114.39 2dw4 s LEU 677 Ca -0.02 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 2dw4 s LEU 677 Cb 0.09 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.16 2dw4 s LEU 677 CO 0.82 -0.16 0.47 0.72 0.23 0.00 0.00 176.35 178.42 2dw4 s PHE 678 N -1.22 -0.46 0.17 0.29 -0.12 -0.82 -3.89 117.98 111.93 2dw4 s PHE 678 Ca -0.08 1.02 0.06 0.00 -0.05 0.00 0.00 56.93 57.88 2dw4 s PHE 678 Cb -0.09 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 2dw4 s PHE 678 CO 0.00 -0.33 0.06 0.20 -0.05 0.00 0.00 175.22 175.10 2dw4 s GLY 679 N -0.32 1.73 -0.25 1.99 0.00 0.08 -1.63 107.32 108.93 2dw4 s GLY 679 Ca -0.05 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.39 2dw4 s GLY 679 CO 0.03 -1.30 -0.10 -1.58 0.00 0.00 0.00 173.10 170.15 2dw4 s HIS 680 N -1.73 3.12 -0.37 1.90 2.46 0.37 -1.20 115.29 119.85 2dw4 s HIS 680 Ca 0.29 -1.92 -0.29 0.00 0.47 0.00 0.00 55.06 53.61 2dw4 s HIS 680 Cb -0.10 -1.99 0.01 0.00 -0.13 0.00 0.00 32.58 30.38 2dw4 s HIS 680 CO 0.21 -0.81 1.25 0.08 -2.47 0.00 0.00 174.74 172.99 2dw4 s VAL 681 N 1.22 4.17 1.28 0.89 1.01 -0.17 -4.42 120.40 124.39 2dw4 s VAL 681 Ca -0.03 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.01 2dw4 s VAL 681 Cb -0.18 -4.32 0.32 0.00 0.00 0.00 0.00 36.38 32.20 2dw4 s VAL 681 CO -0.06 -0.66 1.07 -0.83 0.00 0.00 0.00 175.10 174.62 2dw4 s GLY 682 N 2.75 1.55 0.01 4.51 0.00 -1.26 -2.66 107.32 112.21 2dw4 s GLY 682 Ca 0.53 -1.00 0.20 0.00 0.00 0.00 0.00 44.72 44.45 2dw4 s GLY 682 CO 0.26 -0.05 0.61 1.44 0.00 0.00 0.00 173.10 175.35 2dw4 n SER 683 N -5.05 0.39 -4.23 1.64 7.64 -1.26 -4.75 113.62 108.00 2dw4 n SER 683 Ca 0.14 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 2dw4 n SER 683 Cb 0.60 1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 64.74 2dw4 n SER 683 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dw4 s THR 684 N -3.15 0.88 0.08 0.44 -4.23 -1.26 -5.00 115.64 103.40 2dw4 s THR 684 Ca -0.06 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.25 2dw4 s THR 684 Cb 0.10 -1.89 -0.11 0.00 1.34 0.00 0.00 72.50 71.94 2dw4 s THR 684 CO 0.85 -0.70 1.62 0.74 -0.54 0.00 0.00 174.62 176.59 2dw4 h THR 685 N 2.80 1.15 -0.74 3.99 2.02 -1.96 -1.82 112.91 118.35 2dw4 h THR 685 Ca -0.36 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.48 2dw4 h THR 685 Cb 1.19 1.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.70 2dw4 h THR 685 CO 0.64 0.14 0.33 0.00 0.37 0.00 0.00 175.52 176.99 2dw4 h ALA 686 N 0.90 1.04 -0.56 6.16 0.00 -2.02 -2.14 119.26 122.64 2dw4 h ALA 686 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2dw4 h ALA 686 Cb 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2dw4 h ALA 686 CO -0.00 -0.15 0.06 0.43 0.00 0.00 0.00 179.25 179.59 2dw4 n SER 687 N -4.94 5.20 0.19 0.00 7.64 -1.16 -4.53 113.62 116.00 2dw4 n SER 687 Ca 0.13 -3.03 0.17 0.00 1.01 0.00 0.00 58.87 57.15 2dw4 n SER 687 Cb 0.36 -0.68 0.81 0.00 -1.01 0.00 0.00 64.21 63.70 2dw4 n SER 687 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2dw4 h ARG 688 N 3.29 0.00 -0.01 1.43 0.11 -0.62 -2.13 114.38 116.45 2dw4 h ARG 688 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2dw4 h ARG 688 Cb 1.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.06 2dw4 h ARG 688 CO 0.51 0.00 -0.07 0.41 0.10 0.00 0.00 179.97 180.92 2dw4 n GLY 689 N -1.43 -0.61 3.62 0.08 0.00 -1.26 -4.60 105.19 101.00 2dw4 n GLY 689 Ca 0.02 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2dw4 n GLY 689 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dw4 s GLU 690 N -2.22 3.76 -1.57 1.61 2.12 -0.80 -0.19 118.70 121.40 2dw4 s GLU 690 Ca 0.35 1.21 -0.07 0.00 0.36 0.00 0.00 54.97 56.83 2dw4 s GLU 690 Cb 0.21 -3.96 0.06 0.00 0.26 0.00 0.00 34.13 30.69 2dw4 s GLU 690 CO 0.41 -1.33 0.37 1.28 -0.54 0.00 0.00 175.26 175.46 2dw4 n LEU 691 N 8.25 -1.53 0.09 2.70 4.77 -0.81 -4.81 117.00 125.67 2dw4 n LEU 691 Ca 0.16 -1.13 0.13 0.00 -0.03 0.00 0.00 56.01 55.14 2dw4 n LEU 691 Cb 0.47 -1.91 0.42 0.00 -2.33 0.00 0.00 43.42 40.07 2dw4 n LEU 691 CO 0.66 0.38 0.88 2.22 -1.33 0.00 0.00 177.39 180.19 2dw4 n PHE 692 N -4.42 0.80 -3.87 -1.77 -1.74 -1.02 -4.53 117.46 100.92 2dw4 n PHE 692 Ca -0.19 0.23 -0.12 0.00 -0.56 0.00 0.00 57.45 56.82 2dw4 n PHE 692 Cb 0.62 -0.88 -0.12 0.00 1.52 0.00 0.00 39.48 40.63 2dw4 n PHE 692 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2dw4 s LEU 693 N -4.32 1.69 -0.03 5.98 2.96 -1.26 -0.48 118.68 123.23 2dw4 s LEU 693 Ca 0.11 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2dw4 s LEU 693 Cb 0.13 0.39 -0.00 0.00 0.50 0.00 0.00 46.19 47.21 2dw4 s LEU 693 CO 0.59 -0.15 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.98 2dw4 s PHE 694 N -0.50 1.28 0.09 5.38 0.08 -0.65 0.02 117.98 123.68 2dw4 s PHE 694 Ca -0.06 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 2dw4 s PHE 694 Cb -0.04 -0.87 0.01 0.00 -0.57 0.00 0.00 43.02 41.55 2dw4 s PHE 694 CO 0.00 -0.10 0.24 1.67 -0.10 0.00 0.00 175.22 176.93 2dw4 s TRP 695 N -0.01 0.06 0.03 0.36 -2.14 0.02 -1.94 118.94 115.32 2dw4 s TRP 695 Ca -0.01 -0.42 0.04 0.00 2.66 0.00 0.00 56.10 58.37 2dw4 s TRP 695 Cb -0.09 0.01 -0.02 0.00 -3.10 0.00 0.00 33.47 30.28 2dw4 s TRP 695 CO 0.01 -0.56 -0.11 0.54 -2.66 0.00 0.00 176.95 174.17 2dw4 s ASN 696 N -2.70 1.28 0.00 -2.66 4.22 -0.76 -1.29 114.94 113.03 2dw4 s ASN 696 Ca 0.03 -0.42 0.00 0.00 -2.14 0.00 0.00 52.86 50.33 2dw4 s ASN 696 Cb 0.03 -0.06 0.00 0.00 1.28 0.00 0.00 41.25 42.50 2dw4 s ASN 696 CO -0.10 -0.02 0.00 0.18 -2.04 0.00 0.00 177.10 175.12 2dw4 n LEU 697 N 1.97 -1.91 -0.37 3.54 4.32 -1.26 -4.75 117.00 118.54 2dw4 n LEU 697 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2dw4 n LEU 697 Cb 0.55 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2dw4 n LEU 697 CO 0.23 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.40 2dw4 n ALA 700 N 0.05 -1.79 -1.92 -1.18 0.00 -1.26 -4.95 120.51 109.45 2dw4 n ALA 700 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2dw4 n ALA 700 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 2dw4 n ALA 700 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dw4 n PRO 701 N -1.50 2.64 -5.04 0.00 -0.02 -1.26 -4.91 135.00 124.91 2dw4 n PRO 701 Ca 0.00 -2.67 -0.28 0.00 -2.02 0.00 0.00 63.50 58.53 2dw4 n PRO 701 Cb 0.40 -3.33 -0.16 0.00 -0.02 0.00 0.00 33.50 30.39 2dw4 n PRO 701 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2dw4 s ILE 702 N 4.44 1.69 -0.03 4.25 1.01 -1.26 -0.65 121.20 130.65 2dw4 s ILE 702 Ca 0.52 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2dw4 s ILE 702 Cb 0.10 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2dw4 s ILE 702 CO 0.01 0.48 -0.17 -0.76 0.00 0.00 0.00 174.94 174.50 2dw4 s LEU 703 N -0.36 1.97 -0.07 2.97 1.43 -0.66 -4.38 118.68 119.57 2dw4 s LEU 703 Ca 0.05 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2dw4 s LEU 703 Cb -0.10 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2dw4 s LEU 703 CO 0.00 0.18 -0.13 -0.76 0.23 0.00 0.00 176.35 175.87 2dw4 s LEU 704 N -0.18 2.76 -0.11 1.79 1.43 -0.41 -0.46 118.68 123.50 2dw4 s LEU 704 Ca 0.01 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2dw4 s LEU 704 Cb -0.09 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2dw4 s LEU 704 CO 0.01 0.29 -0.13 0.00 0.23 0.00 0.00 176.35 176.75 2dw4 s ALA 705 N -0.42 2.63 -0.00 4.21 0.00 -0.59 -0.80 121.76 126.79 2dw4 s ALA 705 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2dw4 s ALA 705 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2dw4 s ALA 705 CO 0.02 0.34 0.12 -0.51 0.00 0.00 0.00 175.76 175.73 2dw4 s LEU 706 N 0.03 4.06 -0.17 0.00 2.01 0.10 -1.07 118.68 123.65 2dw4 s LEU 706 Ca -0.04 0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.32 2dw4 s LEU 706 Cb -0.14 -2.40 0.02 0.00 0.01 0.00 0.00 46.19 43.68 2dw4 s LEU 706 CO 0.04 0.27 -0.19 -0.69 1.01 0.00 0.00 176.35 176.79 2dw4 s VAL 707 N -1.25 1.95 0.39 -1.59 1.01 -0.34 -1.92 120.40 118.65 2dw4 s VAL 707 Ca 0.25 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2dw4 s VAL 707 Cb -0.12 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 2dw4 s VAL 707 CO 0.16 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.79 2dw4 s ALA 708 N 1.30 3.03 0.00 5.51 0.00 0.73 -2.20 121.76 130.13 2dw4 s ALA 708 Ca 0.04 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 49.75 2dw4 s ALA 708 Cb -0.13 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2dw4 s ALA 708 CO -0.12 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2dw4 n GLY 709 N -0.91 2.77 0.25 0.00 0.00 -1.26 -2.35 105.19 103.69 2dw4 n GLY 709 Ca -0.05 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.82 2dw4 n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dw4 h GLU 710 N 0.00 0.00 0.00 1.61 5.08 -1.92 -1.95 114.58 117.40 2dw4 h GLU 710 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2dw4 h GLU 710 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2dw4 h GLU 710 CO 0.00 0.06 -0.42 0.00 -1.00 0.00 0.00 179.01 177.65 2dw4 h ALA 711 N 1.94 1.21 -0.46 3.43 0.00 -1.70 -3.27 119.26 120.41 2dw4 h ALA 711 Ca -0.00 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.59 2dw4 h ALA 711 Cb 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2dw4 h ALA 711 CO 0.01 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.95 2dw4 h ALA 712 N 1.58 0.56 -0.03 0.00 0.00 -1.12 0.92 119.26 121.18 2dw4 h ALA 712 Ca -0.00 0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2dw4 h ALA 712 Cb 0.79 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.61 2dw4 h ALA 712 CO 0.05 -0.21 -0.93 0.78 0.00 0.00 0.00 179.25 178.95 2dw4 h GLY 713 N 0.35 0.75 0.98 0.00 0.00 -1.72 -3.27 103.07 100.16 2dw4 h GLY 713 Ca 0.21 -1.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 2dw4 h GLY 713 CO -0.21 1.12 0.26 -2.22 0.00 0.00 0.00 176.54 175.49 2dw4 h ILE 714 N 0.34 1.16 0.00 2.60 2.04 -1.57 -2.91 117.51 119.17 2dw4 h ILE 714 Ca -0.11 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2dw4 h ILE 714 Cb 1.58 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2dw4 h ILE 714 CO 0.18 0.17 -0.07 0.24 0.00 0.00 0.00 178.15 178.67 2dw4 h MET 715 N 0.62 0.00 -0.01 2.37 2.86 -0.89 -2.15 114.93 117.73 2dw4 h MET 715 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2dw4 h MET 715 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2dw4 h MET 715 CO -0.03 0.07 0.05 0.93 1.06 0.00 0.00 176.91 178.99 2dw4 h GLU 716 N 0.00 0.00 -0.18 1.72 5.08 -1.56 -0.85 114.58 118.79 2dw4 h GLU 716 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dw4 h GLU 716 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dw4 h GLU 716 CO 0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 2dw4 n ASN 717 N -3.19 1.14 -4.61 1.42 4.13 -0.81 -4.81 115.26 108.53 2dw4 n ASN 717 Ca -0.03 -1.86 -0.34 0.00 1.68 0.00 0.00 54.58 54.03 2dw4 n ASN 717 Cb 0.12 -0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.14 2dw4 n ASN 717 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dw4 s ILE 718 N -1.76 4.09 0.74 2.41 1.01 -0.33 -5.10 121.20 122.27 2dw4 s ILE 718 Ca 0.21 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 2dw4 s ILE 718 Cb 0.11 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.88 2dw4 s ILE 718 CO 0.15 0.57 1.21 -0.94 0.00 0.00 0.00 174.94 175.93 2dw4 s SER 719 N -0.49 4.16 0.16 3.58 1.04 -1.26 -4.78 113.70 116.11 2dw4 s SER 719 Ca 0.08 2.35 -0.19 0.00 0.48 0.00 0.00 55.95 58.67 2dw4 s SER 719 Cb -0.12 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.48 2dw4 s SER 719 CO 0.02 -2.29 1.65 0.44 0.98 0.00 0.00 173.24 174.04 2dw4 h ASP 720 N -0.35 -0.54 -0.69 7.02 5.19 -1.97 -1.80 116.42 123.27 2dw4 h ASP 720 Ca -0.47 0.13 0.11 0.00 -0.62 0.00 0.00 57.03 56.17 2dw4 h ASP 720 Cb 1.29 0.30 -0.08 0.00 0.18 0.00 0.00 39.33 41.02 2dw4 h ASP 720 CO 0.49 -0.20 0.30 0.44 -3.12 0.00 0.00 179.24 177.16 2dw4 h ASP 721 N -0.11 0.34 -0.33 6.45 3.32 -1.99 0.14 116.42 124.25 2dw4 h ASP 721 Ca 0.17 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 2dw4 h ASP 721 Cb 0.37 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2dw4 h ASP 721 CO -0.40 0.18 -0.27 0.58 -1.72 0.00 0.00 179.24 177.61 2dw4 h VAL 722 N 0.50 1.29 -0.55 -1.35 2.07 -1.79 -0.92 116.25 115.50 2dw4 h VAL 722 Ca 0.36 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 2dw4 h VAL 722 Cb 0.45 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2dw4 h VAL 722 CO -0.32 0.47 0.22 -0.29 0.02 0.00 0.00 177.57 177.67 2dw4 h ILE 723 N 0.53 1.22 -0.76 4.57 6.09 -0.81 -1.07 117.51 127.28 2dw4 h ILE 723 Ca 0.06 -0.69 0.01 0.00 -1.37 0.00 0.00 64.86 62.87 2dw4 h ILE 723 Cb 0.84 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 38.74 2dw4 h ILE 723 CO 0.07 0.27 0.50 0.58 -3.07 0.00 0.00 178.15 176.50 2dw4 h VAL 724 N 0.75 1.18 -0.61 2.19 2.07 -0.68 -1.39 116.25 119.76 2dw4 h VAL 724 Ca 0.18 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2dw4 h VAL 724 Cb 0.20 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2dw4 h VAL 724 CO -0.01 0.19 0.37 1.23 0.02 0.00 0.00 177.57 179.36 2dw4 h GLY 725 N 1.01 0.87 1.77 2.17 0.00 -0.52 -0.73 103.07 107.66 2dw4 h GLY 725 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2dw4 h GLY 725 CO -0.07 0.23 -0.04 3.21 0.00 0.00 0.00 176.54 179.87 2dw4 h ARG 726 N 0.73 0.29 -0.29 4.80 2.47 -0.39 -1.53 114.38 120.46 2dw4 h ARG 726 Ca 0.25 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 2dw4 h ARG 726 Cb 0.03 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2dw4 h ARG 726 CO -0.11 0.35 -0.02 0.00 0.56 0.00 0.00 179.97 180.75 2dw4 h LEU 728 N 0.30 0.71 -0.27 0.00 3.38 -0.76 0.82 115.31 119.49 2dw4 h LEU 728 Ca 0.08 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2dw4 h LEU 728 Cb 0.46 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2dw4 h LEU 728 CO 0.02 0.68 0.02 0.00 0.09 0.00 0.00 178.44 179.24 2dw4 h ALA 729 N 1.06 0.25 -0.24 1.53 0.00 -1.29 0.82 119.26 121.39 2dw4 h ALA 729 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dw4 h ALA 729 Cb 0.19 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2dw4 h ALA 729 CO -0.02 -0.40 0.15 0.82 0.00 0.00 0.00 179.25 179.80 2dw4 h ILE 730 N 0.10 1.03 -0.71 0.00 2.04 -1.10 -0.65 117.51 118.23 2dw4 h ILE 730 Ca 0.13 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2dw4 h ILE 730 Cb 0.16 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2dw4 h ILE 730 CO -0.20 0.05 0.33 -0.07 0.00 0.00 0.00 178.15 178.27 2dw4 h LEU 731 N 0.30 0.92 -0.90 1.44 -0.00 -0.11 -2.28 115.31 114.68 2dw4 h LEU 731 Ca 0.09 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.80 2dw4 h LEU 731 Cb -0.01 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 2dw4 h LEU 731 CO -0.04 0.79 0.05 0.11 -0.00 0.00 0.00 178.44 179.35 2dw4 h LYS 732 N 1.01 0.86 0.00 1.13 1.57 0.12 0.16 116.57 121.42 2dw4 h LYS 732 Ca 0.25 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2dw4 h LYS 732 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2dw4 h LYS 732 CO -0.03 0.83 -0.28 0.78 -0.57 0.00 0.00 179.45 180.17 2dw4 h GLY 733 N 0.99 0.00 0.00 3.86 0.00 -0.65 0.42 103.07 107.68 2dw4 h GLY 733 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2dw4 h GLY 733 CO 0.01 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.08 2dw4 h ILE 734 N 0.00 0.89 0.00 2.60 1.08 -0.75 -3.40 117.51 117.94 2dw4 h ILE 734 Ca -0.00 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.73 2dw4 h ILE 734 Cb 0.57 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2dw4 h ILE 734 CO 0.04 0.30 -1.12 0.49 -0.69 0.00 0.00 178.15 177.16 2dw4 n PHE 735 N -4.64 0.25 0.00 1.37 3.72 0.46 -4.98 117.46 113.65 2dw4 n PHE 735 Ca -0.10 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2dw4 n PHE 735 Cb 0.33 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 2dw4 n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dw4 n GLY 736 N 1.36 2.98 0.38 1.37 0.00 0.14 -4.60 105.19 106.82 2dw4 n GLY 736 Ca 0.01 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.74 2dw4 n GLY 736 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dw4 h SER 737 N 0.00 0.58 1.49 1.61 4.64 -1.88 -1.84 113.55 118.14 2dw4 h SER 737 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dw4 h SER 737 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2dw4 h SER 737 CO 0.00 0.25 -0.35 0.77 -0.87 0.00 0.00 176.83 176.63 2dw4 h SER 738 N 0.59 0.00 1.56 4.97 4.64 -1.91 -3.31 113.55 120.09 2dw4 h SER 738 Ca 0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2dw4 h SER 738 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2dw4 h SER 738 CO -0.23 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 2dw4 h ALA 739 N 2.16 1.00 -2.77 5.18 0.00 -1.58 -3.43 119.26 119.82 2dw4 h ALA 739 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 2dw4 h ALA 739 Cb 0.92 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.45 2dw4 h ALA 739 CO 0.00 0.00 -0.48 0.08 0.00 0.00 0.00 179.25 178.85 2dw4 s VAL 740 N -3.23 4.44 0.64 0.00 1.01 -1.21 -4.85 120.40 117.21 2dw4 s VAL 740 Ca 0.08 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 2dw4 s VAL 740 Cb 0.09 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2dw4 s VAL 740 CO 0.60 -0.39 0.96 -2.16 0.00 0.00 0.00 175.10 174.11 2dw4 s PRO 741 N 1.50 2.71 0.40 2.72 0.04 -1.26 -5.02 135.00 136.09 2dw4 s PRO 741 Ca 0.02 -0.00 -0.25 0.00 0.04 0.00 0.00 61.00 60.81 2dw4 s PRO 741 Cb -0.21 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 2dw4 s PRO 741 CO 0.04 -0.90 1.19 -0.65 0.04 0.00 0.00 177.00 176.73 2dw4 s GLN 742 N -5.12 4.02 0.46 4.56 -1.52 -1.26 -4.98 119.66 115.83 2dw4 s GLN 742 Ca 0.56 1.89 -0.23 0.00 -1.95 0.00 0.00 55.36 55.63 2dw4 s GLN 742 Cb -0.11 -2.68 -0.07 0.00 -0.22 0.00 0.00 33.01 29.93 2dw4 s GLN 742 CO 0.46 -0.36 1.15 -2.14 -0.25 0.00 0.00 175.29 174.15 2dw4 s PRO 743 N -2.30 3.76 0.07 2.91 0.02 -1.26 -4.87 135.00 133.33 2dw4 s PRO 743 Ca 0.57 1.72 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 2dw4 s PRO 743 Cb -0.32 -2.38 -0.27 0.00 0.02 0.00 0.00 34.50 31.56 2dw4 s PRO 743 CO 0.40 -0.54 1.13 0.87 -0.33 0.00 0.00 177.00 178.54 2dw4 h LYS 744 N 2.01 0.48 -3.55 5.54 1.79 -0.11 -3.47 116.57 119.26 2dw4 h LYS 744 Ca -0.49 -0.68 -0.15 0.00 -2.18 0.00 0.00 60.65 57.15 2dw4 h LYS 744 Cb 1.24 0.24 -0.21 0.00 -1.58 0.00 0.00 32.23 31.92 2dw4 h LYS 744 CO 0.60 1.30 -0.50 -1.21 -1.08 0.00 0.00 179.45 178.56 2dw4 s GLU 745 N -2.87 0.47 0.01 3.15 0.41 -1.18 -5.02 118.70 113.66 2dw4 s GLU 745 Ca -0.07 -0.42 -0.02 0.00 -0.41 0.00 0.00 54.97 54.05 2dw4 s GLU 745 Cb 0.06 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.60 2dw4 s GLU 745 CO 0.91 -0.11 0.03 0.95 -0.49 0.00 0.00 175.26 176.55 2dw4 s THR 746 N -1.40 0.09 -0.03 3.63 -4.23 -1.26 -0.72 115.64 111.72 2dw4 s THR 746 Ca -0.15 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2dw4 s THR 746 Cb -0.08 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.49 2dw4 s THR 746 CO 0.01 -0.39 0.06 -0.69 -0.54 0.00 0.00 174.62 173.07 2dw4 s VAL 747 N -1.23 -0.01 -0.09 2.29 1.01 -0.85 -4.96 120.40 116.57 2dw4 s VAL 747 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2dw4 s VAL 747 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2dw4 s VAL 747 CO -0.00 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.36 2dw4 s VAL 748 N 0.24 0.86 0.45 2.92 1.01 -1.26 0.67 120.40 125.28 2dw4 s VAL 748 Ca -0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2dw4 s VAL 748 Cb -0.03 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 2dw4 s VAL 748 CO -0.01 0.33 0.88 -0.94 0.00 0.00 0.00 175.10 175.36 2dw4 s SER 749 N 1.44 6.62 -0.40 3.32 1.04 -0.74 -5.01 113.70 119.98 2dw4 s SER 749 Ca -0.01 1.39 0.09 0.00 0.48 0.00 0.00 55.95 57.90 2dw4 s SER 749 Cb -0.13 -2.43 0.28 0.00 0.10 0.00 0.00 66.02 63.83 2dw4 s SER 749 CO -0.04 -0.47 0.63 0.54 0.98 0.00 0.00 173.24 174.89 2dw4 n ARG 750 N -1.29 0.79 -0.08 4.02 1.74 -1.26 -4.54 116.66 116.04 2dw4 n ARG 750 Ca 0.05 -3.06 0.14 0.00 -0.77 0.00 0.00 57.85 54.21 2dw4 n ARG 750 Cb 0.54 -1.35 0.54 0.00 -1.02 0.00 0.00 32.46 31.16 2dw4 n ARG 750 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2dw4 h TRP 751 N 3.71 0.36 -0.33 -1.55 4.06 -1.90 -2.20 115.95 118.11 2dw4 h TRP 751 Ca 0.05 0.01 -0.18 0.00 2.06 0.00 0.00 58.89 60.83 2dw4 h TRP 751 Cb 0.93 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.97 2dw4 h TRP 751 CO 0.35 0.16 -0.49 -0.09 -3.56 0.00 0.00 178.44 174.82 2dw4 h ARG 752 N 0.33 0.91 0.00 0.49 9.65 -1.85 -0.11 114.38 123.80 2dw4 h ARG 752 Ca 0.29 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2dw4 h ARG 752 Cb 0.68 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2dw4 h ARG 752 CO -0.07 1.18 0.00 0.00 2.80 0.00 0.00 179.97 183.88 2dw4 h ALA 753 N 0.71 1.00 -2.21 2.80 0.00 -1.82 -3.36 119.26 116.38 2dw4 h ALA 753 Ca 0.03 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 2dw4 h ALA 753 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2dw4 h ALA 753 CO 0.11 0.00 1.15 0.34 0.00 0.00 0.00 179.25 180.86 2dw4 s ASP 754 N -5.56 6.48 0.57 0.00 -1.08 -0.86 -4.87 116.67 111.35 2dw4 s ASP 754 Ca 0.05 2.15 0.33 0.00 -0.52 0.00 0.00 52.55 54.56 2dw4 s ASP 754 Cb 0.08 -2.53 1.68 0.00 -1.46 0.00 0.00 42.92 40.69 2dw4 s ASP 754 CO 0.57 -1.10 2.13 -0.65 0.52 0.00 0.00 175.17 176.64 2dw4 h PRO 755 N 10.40 0.00 -0.02 4.34 0.11 -1.88 0.34 132.00 145.28 2dw4 h PRO 755 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2dw4 h PRO 755 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dw4 h PRO 755 CO 0.96 0.06 -0.05 0.91 -0.21 0.00 0.00 178.00 179.68 2dw4 n TRP 756 N -3.37 0.00 0.04 0.65 5.03 -1.26 -4.55 117.44 113.99 2dw4 n TRP 756 Ca -0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.51 2dw4 n TRP 756 Cb 0.21 -0.02 0.00 0.00 -1.03 0.00 0.00 31.31 30.48 2dw4 n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2dw4 n ALA 757 N 0.26 3.00 -2.09 6.99 0.00 -0.87 -4.73 120.51 123.07 2dw4 n ALA 757 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2dw4 n ALA 757 Cb 0.40 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 2dw4 n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dw4 n ARG 758 N -3.12 -1.11 -1.10 0.00 5.12 0.11 -3.78 116.66 112.77 2dw4 n ARG 758 Ca 0.00 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 2dw4 n ARG 758 Cb 0.15 -5.02 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 2dw4 n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dw4 n GLY 759 N -1.06 0.14 0.20 -0.13 0.00 -0.06 -4.73 105.19 99.56 2dw4 n GLY 759 Ca -0.16 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 2dw4 n GLY 759 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dw4 n SER 760 N 3.00 1.82 -3.55 1.61 3.41 -0.12 -4.64 113.62 115.15 2dw4 n SER 760 Ca 0.00 0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 58.86 2dw4 n SER 760 Cb 0.00 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.19 2dw4 n SER 760 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2dw4 s TYR 761 N -2.57 -0.26 0.94 7.33 1.13 -1.25 -4.99 117.35 117.68 2dw4 s TYR 761 Ca -0.33 0.13 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 2dw4 s TYR 761 Cb 0.11 0.54 0.15 0.00 -1.10 0.00 0.00 41.96 41.67 2dw4 s TYR 761 CO 0.43 -0.48 1.09 -1.54 -2.51 0.00 0.00 175.55 172.55 2dw4 s SER 762 N -2.47 3.10 0.01 -0.18 1.04 -1.26 -0.12 113.70 113.82 2dw4 s SER 762 Ca 0.07 1.40 -0.23 0.00 0.48 0.00 0.00 55.95 57.68 2dw4 s SER 762 Cb -0.01 -2.08 0.05 0.00 0.10 0.00 0.00 66.02 64.08 2dw4 s SER 762 CO -0.07 -2.86 0.51 -0.72 0.98 0.00 0.00 173.24 171.08 2dw4 s TYR 763 N -2.92 -0.42 -0.60 5.02 -0.85 -0.89 -4.71 117.35 111.97 2dw4 s TYR 763 Ca 0.64 0.59 -0.28 0.00 -0.52 0.00 0.00 57.07 57.50 2dw4 s TYR 763 Cb -0.18 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.48 2dw4 s TYR 763 CO 0.57 -0.57 1.19 0.08 -1.52 0.00 0.00 175.55 175.30 2dw4 s VAL 764 N -1.87 3.99 0.69 -3.49 1.01 -1.26 -1.48 120.40 117.99 2dw4 s VAL 764 Ca -0.09 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 2dw4 s VAL 764 Cb -0.01 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.62 2dw4 s VAL 764 CO 0.03 -1.41 1.06 0.00 0.00 0.00 0.00 175.10 174.77 2dw4 s ALA 765 N 5.03 2.77 0.16 5.51 0.00 -1.26 -1.31 121.76 132.66 2dw4 s ALA 765 Ca 0.41 -0.04 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 2dw4 s ALA 765 Cb -0.08 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2dw4 s ALA 765 CO 0.23 -1.12 1.78 0.00 0.00 0.00 0.00 175.76 176.65 2dw4 n ALA 766 N -3.04 2.37 -0.01 0.00 0.00 -0.81 -1.00 120.51 118.02 2dw4 n ALA 766 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2dw4 n ALA 766 Cb 0.54 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2dw4 n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dw4 n GLY 767 N 4.08 0.25 1.14 0.00 0.00 -1.26 -4.93 105.19 104.47 2dw4 n GLY 767 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2dw4 n GLY 767 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dw4 n SER 768 N 0.00 2.04 -3.42 1.61 2.88 -0.17 -4.99 113.62 111.58 2dw4 n SER 768 Ca 0.00 -1.64 -0.02 0.00 -1.33 0.00 0.00 58.87 55.88 2dw4 n SER 768 Cb 0.00 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 63.54 2dw4 n SER 768 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dw4 s SER 769 N -1.92 0.02 0.60 -3.46 1.04 -1.26 -4.84 113.70 103.88 2dw4 s SER 769 Ca 0.04 -0.61 0.32 0.00 0.48 0.00 0.00 55.95 56.18 2dw4 s SER 769 Cb -0.00 0.44 1.90 0.00 0.10 0.00 0.00 66.02 68.46 2dw4 s SER 769 CO 0.03 -0.88 2.25 1.23 0.98 0.00 0.00 173.24 176.85 2dw4 h GLY 770 N 2.00 0.00 2.00 7.32 0.00 -1.95 -1.84 103.07 110.60 2dw4 h GLY 770 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2dw4 h GLY 770 CO 0.36 0.00 -0.24 3.43 0.00 0.00 0.00 176.54 180.09 2dw4 h ASN 771 N 0.00 0.00 0.55 0.19 4.21 -1.99 -2.11 115.58 116.43 2dw4 h ASN 771 Ca 0.01 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 2dw4 h ASN 771 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2dw4 h ASN 771 CO -0.00 0.24 -0.27 0.44 -1.29 0.00 0.00 177.43 176.55 2dw4 h ASP 772 N 0.00 0.00 -0.28 5.81 3.32 -1.73 -1.35 116.42 122.19 2dw4 h ASP 772 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2dw4 h ASP 772 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2dw4 h ASP 772 CO 0.03 0.27 -0.11 1.88 -1.72 0.00 0.00 179.24 179.59 2dw4 h TYR 773 N 0.00 0.76 -0.13 4.55 0.05 -1.51 -0.11 116.97 120.58 2dw4 h TYR 773 Ca -0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 2dw4 h TYR 773 Cb 0.62 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 2dw4 h TYR 773 CO 0.00 0.78 -0.19 -0.44 -1.05 0.00 0.00 178.16 177.25 2dw4 h ASP 774 N 0.64 0.40 -0.89 3.88 3.32 -1.29 -2.56 116.42 119.91 2dw4 h ASP 774 Ca 0.11 -0.52 0.10 0.00 0.02 0.00 0.00 57.03 56.73 2dw4 h ASP 774 Cb 0.56 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 2dw4 h ASP 774 CO 0.03 0.85 0.58 -0.07 -1.72 0.00 0.00 179.24 178.91 2dw4 h LEU 775 N -0.04 0.80 -1.39 1.55 3.38 -1.12 0.40 115.31 118.90 2dw4 h LEU 775 Ca 0.01 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2dw4 h LEU 775 Cb 0.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dw4 h LEU 775 CO 0.05 0.47 -0.28 0.24 0.09 0.00 0.00 178.44 179.00 2dw4 h MET 776 N 0.88 0.00 0.00 1.13 2.86 -0.83 -2.82 114.93 116.15 2dw4 h MET 776 Ca 0.41 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 2dw4 h MET 776 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2dw4 h MET 776 CO -0.18 0.28 -0.29 0.00 1.06 0.00 0.00 176.91 177.78 2dw4 h ALA 777 N 1.72 0.86 -2.51 6.32 0.00 -0.53 -3.44 119.26 121.68 2dw4 h ALA 777 Ca -0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2dw4 h ALA 777 Cb 0.61 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.43 2dw4 h ALA 777 CO 0.04 0.13 1.08 -0.65 0.00 0.00 0.00 179.25 179.85 2dw4 s GLN 778 N -3.18 4.15 0.69 0.00 -1.52 -0.83 -4.44 119.66 114.52 2dw4 s GLN 778 Ca 0.05 2.54 -0.14 0.00 -1.95 0.00 0.00 55.36 55.86 2dw4 s GLN 778 Cb 0.06 -3.57 0.01 0.00 -0.22 0.00 0.00 33.01 29.30 2dw4 s GLN 778 CO 0.71 -0.81 1.12 -2.14 -0.25 0.00 0.00 175.29 173.91 2dw4 s PRO 779 N 2.62 2.61 -0.10 2.91 0.02 -1.26 -4.77 135.00 137.03 2dw4 s PRO 779 Ca 0.79 1.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 2dw4 s PRO 779 Cb -0.45 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 2dw4 s PRO 779 CO 0.35 -1.41 -0.04 0.42 -0.33 0.00 0.00 177.00 175.99 2dw4 s ILE 780 N -2.36 3.90 -0.01 2.83 -1.09 0.15 -4.99 121.20 119.63 2dw4 s ILE 780 Ca 0.67 -0.39 0.07 0.00 -2.23 0.00 0.00 60.65 58.78 2dw4 s ILE 780 Cb -0.21 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 2dw4 s ILE 780 CO 0.44 0.56 -0.23 0.42 -1.23 0.00 0.00 174.94 174.90 2dw4 s THR 781 N -0.42 2.30 0.09 2.92 -4.23 -1.26 -1.36 115.64 113.67 2dw4 s THR 781 Ca 0.07 -1.10 -0.35 0.00 -1.18 0.00 0.00 61.69 59.13 2dw4 s THR 781 Cb -0.12 -1.85 -0.16 0.00 1.34 0.00 0.00 72.50 71.71 2dw4 s THR 781 CO 0.02 0.52 1.57 -0.65 -0.54 0.00 0.00 174.62 175.55 2dw4 h PRO 782 N 5.26 -0.92 -1.84 3.99 0.11 -1.90 -3.48 132.00 133.21 2dw4 h PRO 782 Ca -0.45 0.06 -0.68 0.00 0.11 0.00 0.00 66.00 65.04 2dw4 h PRO 782 Cb 1.13 0.21 -0.34 0.00 0.11 0.00 0.00 31.00 32.11 2dw4 h PRO 782 CO 0.47 -0.62 0.18 -2.30 -0.21 0.00 0.00 178.00 175.52 2dw4 n PRO 792 N -5.55 3.28 -3.59 1.05 -0.02 -1.26 -4.89 135.00 124.03 2dw4 n PRO 792 Ca -0.12 -4.13 -0.02 0.00 -2.02 0.00 0.00 63.50 57.22 2dw4 n PRO 792 Cb 0.45 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2dw4 n PRO 792 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2dw4 s ILE 793 N -5.17 -0.48 0.09 4.25 2.07 -1.26 -5.14 121.20 115.56 2dw4 s ILE 793 Ca 0.49 0.00 -0.35 0.00 -1.41 0.00 0.00 60.65 59.38 2dw4 s ILE 793 Cb 0.39 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.83 2dw4 s ILE 793 CO -0.28 0.00 1.51 -2.65 -1.91 0.00 0.00 174.94 171.61 2dw4 n PRO 794 N 4.78 1.70 0.00 3.50 -0.02 -1.26 -4.68 135.00 139.02 2dw4 n PRO 794 Ca -0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2dw4 n PRO 794 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2dw4 n PRO 794 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2dw4 n ARG 795 N 3.37 1.39 -3.81 -0.52 3.00 -0.46 -4.97 116.66 114.67 2dw4 n ARG 795 Ca 0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.67 2dw4 n ARG 795 Cb 0.24 -0.98 -0.13 0.00 0.00 0.00 0.00 32.46 31.60 2dw4 n ARG 795 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2dw4 s LEU 796 N -4.52 3.40 0.21 6.15 2.96 -0.96 -1.42 118.68 124.50 2dw4 s LEU 796 Ca 0.00 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.55 2dw4 s LEU 796 Cb 0.00 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2dw4 s LEU 796 CO 0.00 -0.08 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.53 2dw4 s PHE 797 N 1.53 2.67 -0.04 5.38 0.40 0.14 -0.67 117.98 127.38 2dw4 s PHE 797 Ca 0.05 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2dw4 s PHE 797 Cb -0.16 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2dw4 s PHE 797 CO 0.01 0.56 -0.15 -0.06 0.70 0.00 0.00 175.22 176.28 2dw4 s PHE 798 N -1.94 1.53 0.21 0.36 0.40 -1.26 0.70 117.98 117.98 2dw4 s PHE 798 Ca 0.28 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2dw4 s PHE 798 Cb -0.08 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2dw4 s PHE 798 CO 0.17 -0.18 0.10 0.00 0.70 0.00 0.00 175.22 176.01 2dw4 s ALA 799 N 0.18 1.35 0.00 5.36 0.00 -0.75 -4.79 121.76 123.11 2dw4 s ALA 799 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2dw4 s ALA 799 Cb -0.12 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2dw4 s ALA 799 CO 0.02 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2dw4 n GLY 800 N -0.31 3.80 0.30 0.00 0.00 -1.26 -4.14 105.19 103.57 2dw4 n GLY 800 Ca -0.01 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.49 2dw4 n GLY 800 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dw4 h GLU 801 N 0.00 0.00 -0.11 1.61 -0.00 -1.87 -1.72 114.58 112.50 2dw4 h GLU 801 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2dw4 h GLU 801 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2dw4 h GLU 801 CO 0.00 0.02 0.00 -2.39 -0.00 0.00 0.00 179.01 176.64 2dw4 n HIS 802 N -3.70 0.14 -0.22 2.06 1.44 -1.26 -3.43 115.22 110.26 2dw4 n HIS 802 Ca -0.03 -0.07 0.03 0.00 -2.01 0.00 0.00 57.72 55.65 2dw4 n HIS 802 Cb 0.11 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.30 2dw4 n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2dw4 n THR 803 N -0.16 1.16 -3.82 0.61 -2.24 -0.65 -4.64 114.28 104.54 2dw4 n THR 803 Ca 0.12 -1.17 -0.30 0.00 -2.27 0.00 0.00 64.05 60.44 2dw4 n THR 803 Cb 0.18 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 2dw4 n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2dw4 s ILE 804 N -1.28 1.47 0.30 2.28 2.07 -1.23 -4.36 121.20 120.45 2dw4 s ILE 804 Ca 0.14 -2.00 0.06 0.00 -1.41 0.00 0.00 60.65 57.44 2dw4 s ILE 804 Cb 0.09 -2.08 0.32 0.00 0.13 0.00 0.00 42.46 40.92 2dw4 s ILE 804 CO 0.06 -0.70 1.65 -0.09 -1.91 0.00 0.00 174.94 173.95 2dw4 h ARG 805 N 7.60 0.23 0.00 3.50 2.43 -1.87 -1.59 114.38 124.69 2dw4 h ARG 805 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2dw4 h ARG 805 Cb 0.99 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2dw4 h ARG 805 CO 0.50 0.16 -0.63 -0.91 -1.51 0.00 0.00 179.97 177.57 2dw4 h ASN 806 N 0.24 0.00 -0.73 -3.80 4.21 -1.95 -3.39 115.58 110.15 2dw4 h ASN 806 Ca 0.61 -0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.75 2dw4 h ASN 806 Cb 1.28 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 38.08 2dw4 h ASN 806 CO -0.65 0.00 -1.04 -1.22 -1.29 0.00 0.00 177.43 173.23 2dw4 n TYR 807 N -2.83 1.74 -1.05 1.19 4.01 -1.00 -4.77 117.16 114.44 2dw4 n TYR 807 Ca 0.01 -2.41 -0.31 0.00 -0.16 0.00 0.00 57.90 55.04 2dw4 n TYR 807 Cb 0.54 -0.27 0.12 0.00 -0.31 0.00 0.00 39.34 39.42 2dw4 n TYR 807 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2dw4 s PRO 808 N -3.58 1.77 -1.45 -0.72 0.04 -0.63 -3.77 135.00 126.66 2dw4 s PRO 808 Ca 0.34 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2dw4 s PRO 808 Cb 0.38 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 33.14 2dw4 s PRO 808 CO -0.02 -2.02 1.00 0.00 0.04 0.00 0.00 177.00 176.00 2dw4 n ALA 809 N -3.79 -1.42 -2.68 8.56 0.00 -1.22 -4.95 120.51 115.00 2dw4 n ALA 809 Ca 0.10 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 2dw4 n ALA 809 Cb 0.53 -4.34 -0.07 0.00 0.00 0.00 0.00 19.45 15.57 2dw4 n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dw4 s THR 810 N -3.36 0.08 0.13 0.00 -4.23 -1.26 -4.98 115.64 102.03 2dw4 s THR 810 Ca 0.53 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.62 2dw4 s THR 810 Cb -0.26 -1.70 -0.09 0.00 1.34 0.00 0.00 72.50 71.79 2dw4 s THR 810 CO 0.80 -0.39 1.41 0.58 -0.54 0.00 0.00 174.62 176.48 2dw4 h VAL 811 N 2.59 1.28 -0.54 2.29 2.07 -1.92 -2.60 116.25 119.41 2dw4 h VAL 811 Ca -0.32 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.38 2dw4 h VAL 811 Cb 1.22 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2dw4 h VAL 811 CO 0.50 0.57 0.06 1.12 0.02 0.00 0.00 177.57 179.84 2dw4 h HIS 812 N 0.65 0.93 -0.35 1.57 -0.00 -1.97 -0.94 115.15 115.05 2dw4 h HIS 812 Ca 0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.25 2dw4 h HIS 812 Cb 1.17 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 2dw4 h HIS 812 CO 0.07 0.81 0.15 0.78 -0.00 0.00 0.00 177.93 179.75 2dw4 h GLY 813 N 1.00 0.55 0.65 6.13 0.00 -1.64 -0.14 103.07 109.62 2dw4 h GLY 813 Ca 0.17 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.27 2dw4 h GLY 813 CO 0.01 0.27 0.29 0.00 0.00 0.00 0.00 176.54 177.12 2dw4 h ALA 814 N 1.00 0.76 0.10 3.60 0.00 -1.10 0.61 119.26 124.22 2dw4 h ALA 814 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dw4 h ALA 814 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dw4 h ALA 814 CO -0.01 -0.06 -0.06 1.25 0.00 0.00 0.00 179.25 180.37 2dw4 h LEU 815 N 0.55 -0.16 -1.09 0.00 5.85 -0.80 -1.69 115.31 117.97 2dw4 h LEU 815 Ca 0.26 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2dw4 h LEU 815 Cb 0.19 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2dw4 h LEU 815 CO -0.19 -0.10 0.33 -0.07 -0.34 0.00 0.00 178.44 178.06 2dw4 h LEU 816 N -0.16 0.87 -0.92 2.25 3.38 -0.70 -0.84 115.31 119.19 2dw4 h LEU 816 Ca -0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2dw4 h LEU 816 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2dw4 h LEU 816 CO 0.01 0.74 0.30 0.77 0.09 0.00 0.00 178.44 180.35 2dw4 h SER 817 N 0.96 0.99 -0.27 -0.43 4.64 -0.56 0.11 113.55 118.99 2dw4 h SER 817 Ca 0.24 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2dw4 h SER 817 Cb 0.10 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2dw4 h SER 817 CO -0.03 0.88 0.06 1.23 -0.87 0.00 0.00 176.83 178.10 2dw4 h GLY 818 N 1.11 0.48 1.00 -0.77 0.00 -0.56 -0.92 103.07 103.41 2dw4 h GLY 818 Ca 0.25 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2dw4 h GLY 818 CO -0.02 0.29 0.62 1.41 0.00 0.00 0.00 176.54 178.83 2dw4 h LEU 819 N 0.27 1.07 0.35 3.11 3.38 -0.76 -1.77 115.31 120.97 2dw4 h LEU 819 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dw4 h LEU 819 Cb 0.30 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dw4 h LEU 819 CO 0.00 0.78 -0.20 -0.09 0.09 0.00 0.00 178.44 179.02 2dw4 h ARG 820 N 1.27 -0.50 -0.58 1.13 2.43 -0.44 -2.52 114.38 115.16 2dw4 h ARG 820 Ca 0.35 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2dw4 h ARG 820 Cb -0.14 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2dw4 h ARG 820 CO -0.08 -0.34 0.11 0.93 -1.51 0.00 0.00 179.97 179.09 2dw4 h GLU 821 N -0.52 0.91 -0.54 0.20 4.39 -0.98 -1.89 114.58 116.15 2dw4 h GLU 821 Ca -0.04 -0.21 0.10 0.00 0.34 0.00 0.00 59.36 59.55 2dw4 h GLU 821 Cb 0.42 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 2dw4 h GLU 821 CO 0.05 0.83 0.09 0.00 -1.16 0.00 0.00 179.01 178.83 2dw4 h ALA 822 N 1.25 0.60 -0.39 3.43 0.00 -1.21 0.22 119.26 123.17 2dw4 h ALA 822 Ca 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dw4 h ALA 822 Cb 0.35 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dw4 h ALA 822 CO 0.00 -0.32 0.20 0.78 0.00 0.00 0.00 179.25 179.92 2dw4 h GLY 823 N 0.23 0.60 1.05 0.00 0.00 -0.97 0.10 103.07 104.08 2dw4 h GLY 823 Ca 0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2dw4 h GLY 823 CO -0.37 0.27 0.17 -0.09 0.00 0.00 0.00 176.54 176.52 2dw4 h ARG 824 N 0.50 1.09 -0.28 4.80 2.43 -0.56 -0.15 114.38 122.22 2dw4 h ARG 824 Ca 0.14 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 2dw4 h ARG 824 Cb 0.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2dw4 h ARG 824 CO -0.02 0.97 -0.16 0.82 -1.51 0.00 0.00 179.97 180.08 2dw4 h ILE 825 N 1.03 1.30 -0.45 1.20 2.04 -0.37 -2.33 117.51 119.93 2dw4 h ILE 825 Ca 0.21 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2dw4 h ILE 825 Cb 0.37 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2dw4 h ILE 825 CO 0.00 0.40 0.20 0.00 0.00 0.00 0.00 178.15 178.76 2dw4 h ALA 826 N 0.73 0.58 -0.76 1.87 0.00 -0.69 -1.60 119.26 119.39 2dw4 h ALA 826 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2dw4 h ALA 826 Cb 0.68 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2dw4 h ALA 826 CO 0.04 0.16 0.50 -0.44 0.00 0.00 0.00 179.25 179.51 2dw4 h ASP 827 N 0.58 0.65 -0.03 0.00 3.32 -0.91 0.35 116.42 120.39 2dw4 h ASP 827 Ca 0.15 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2dw4 h ASP 827 Cb 0.14 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2dw4 h ASP 827 CO -0.02 0.40 -0.34 1.56 -1.72 0.00 0.00 179.24 179.12 2dw4 h GLN 828 N 0.73 0.28 0.10 3.56 1.08 -0.96 -2.94 115.11 116.96 2dw4 h GLN 828 Ca 0.34 -0.27 -0.35 0.00 -1.45 0.00 0.00 58.65 56.93 2dw4 h GLN 828 Cb 0.38 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2dw4 h GLN 828 CO -0.12 0.95 -1.92 1.19 -0.95 0.00 0.00 178.83 177.97 2dw4 n PHE 829 N -4.42 1.24 1.02 2.96 3.72 -0.65 -4.32 117.46 117.01 2dw4 n PHE 829 Ca -0.09 0.30 0.12 0.00 -0.05 0.00 0.00 57.45 57.72 2dw4 n PHE 829 Cb 0.53 -1.17 0.08 0.00 -0.94 0.00 0.00 39.48 37.97 2dw4 n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2dw4 n LEU 830 N -3.39 2.58 0.00 4.37 4.32 0.12 -5.02 117.00 119.99 2dw4 n LEU 830 Ca -0.28 -0.89 0.00 0.00 -0.02 0.00 0.00 56.01 54.82 2dw4 n LEU 830 Cb 1.05 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.85 2dw4 n LEU 830 CO 0.44 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.66