#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jlr n ASP 181 N 0.00 0.04 0.19 -1.84 4.64 -1.26 -3.94 116.55 114.38 2jlr n ASP 181 Ca 0.00 0.37 0.14 0.00 -1.38 0.00 0.00 54.79 53.92 2jlr n ASP 181 Cb 0.00 -0.42 0.58 0.00 -1.04 0.00 0.00 41.12 40.23 2jlr n ASP 181 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 2jlr h ILE 182 N 0.01 0.00 -0.01 5.18 3.07 -1.99 -2.22 117.51 121.55 2jlr h ILE 182 Ca 0.00 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2jlr h ILE 182 Cb 0.48 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 2jlr h ILE 182 CO 0.00 0.00 -0.40 0.49 -1.05 0.00 0.00 178.15 177.19 2jlr n PHE 183 N -2.57 0.00 -2.52 0.16 3.72 -1.25 -4.57 117.46 110.43 2jlr n PHE 183 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2jlr n PHE 183 Cb 0.25 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 2jlr n PHE 183 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jlr s ARG 184 N -2.64 4.51 0.43 -1.08 3.00 -0.84 -4.63 118.95 117.71 2jlr s ARG 184 Ca 0.19 1.67 -0.25 0.00 0.00 0.00 0.00 55.73 57.34 2jlr s ARG 184 Cb 0.18 -3.36 -0.09 0.00 0.00 0.00 0.00 34.95 31.69 2jlr s ARG 184 CO 0.59 -0.11 1.33 1.63 0.00 0.00 0.00 175.30 178.73 2jlr n LYS 185 N 3.51 2.04 -0.77 3.54 5.02 -1.26 -2.18 118.16 128.06 2jlr n LYS 185 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 2jlr n LYS 185 Cb 0.47 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2jlr n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jlr n LYS 186 N -0.05 0.00 -3.69 1.97 5.02 -0.50 -4.89 118.16 116.03 2jlr n LYS 186 Ca 0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 2jlr n LYS 186 Cb 0.40 -2.01 -0.09 0.00 -0.02 0.00 0.00 35.03 33.31 2jlr n LYS 186 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jlr s ARG 187 N -0.23 4.12 -0.32 1.97 3.00 -0.92 -4.80 118.95 121.77 2jlr s ARG 187 Ca 0.00 -0.25 -0.00 0.00 -1.00 0.00 0.00 55.73 54.48 2jlr s ARG 187 Cb 0.00 -3.49 0.07 0.00 0.00 0.00 0.00 34.95 31.53 2jlr s ARG 187 CO 0.00 0.16 0.02 -1.17 0.00 0.00 0.00 175.30 174.31 2jlr s LEU 188 N 0.78 4.14 -0.17 -0.88 0.20 -1.26 -1.31 118.68 120.18 2jlr s LEU 188 Ca 0.08 -1.52 -0.15 0.00 0.69 0.00 0.00 54.13 53.23 2jlr s LEU 188 Cb -0.12 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2jlr s LEU 188 CO 0.02 -0.31 0.34 -0.89 -0.29 0.00 0.00 176.35 175.22 2jlr s THR 189 N 1.17 5.26 -0.52 3.68 2.01 0.40 -4.98 115.64 122.66 2jlr s THR 189 Ca -0.02 0.63 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 2jlr s THR 189 Cb -0.20 -3.68 0.09 0.00 0.01 0.00 0.00 72.50 68.72 2jlr s THR 189 CO -0.03 0.34 0.53 -0.63 -0.69 0.00 0.00 174.62 174.13 2jlr s ILE 190 N 0.77 5.08 -0.68 1.82 -1.09 -1.26 -0.44 121.20 125.39 2jlr s ILE 190 Ca 0.18 -1.07 -0.23 0.00 -2.23 0.00 0.00 60.65 57.31 2jlr s ILE 190 Cb -0.14 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.52 2jlr s ILE 190 CO 0.06 -0.81 1.00 -0.32 -1.23 0.00 0.00 174.94 173.64 2jlr s MET 191 N 2.02 3.14 -0.39 2.79 -2.45 -0.12 -4.91 119.30 119.38 2jlr s MET 191 Ca 0.07 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.74 2jlr s MET 191 Cb -0.25 -4.27 0.46 0.00 1.25 0.00 0.00 34.83 32.03 2jlr s MET 191 CO 0.06 -1.85 1.45 -0.40 1.05 0.00 0.00 175.02 175.34 2jlr n ASP 192 N 7.82 5.24 -4.75 1.11 5.75 -1.25 -1.53 116.55 128.94 2jlr n ASP 192 Ca -0.02 -3.77 -0.36 0.00 -0.01 0.00 0.00 54.79 50.63 2jlr n ASP 192 Cb 0.46 -0.55 0.04 0.00 -1.03 0.00 0.00 41.12 40.04 2jlr n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2jlr s LEU 193 N -3.60 3.63 0.90 -2.12 1.43 -1.26 -4.67 118.68 112.98 2jlr s LEU 193 Ca 0.53 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.97 2jlr s LEU 193 Cb 0.43 -4.60 0.14 0.00 0.03 0.00 0.00 46.19 42.19 2jlr s LEU 193 CO 0.02 -1.71 1.16 0.00 0.23 0.00 0.00 176.35 176.04 2jlr n HIS 194 N -1.70 0.93 -1.72 0.29 1.44 -1.26 -3.87 115.22 109.33 2jlr n HIS 194 Ca 0.14 0.40 -0.43 0.00 -2.01 0.00 0.00 57.72 55.82 2jlr n HIS 194 Cb 0.49 -2.02 -0.02 0.00 0.12 0.00 0.00 29.99 28.56 2jlr n HIS 194 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2jlr n PRO 195 N -4.07 2.46 -0.32 -1.40 -0.02 -1.26 -1.81 135.00 128.58 2jlr n PRO 195 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2jlr n PRO 195 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2jlr n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jlr n GLY 196 N 2.24 1.13 0.20 -1.23 0.00 -1.26 -4.44 105.19 101.83 2jlr n GLY 196 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2jlr n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jlr h ALA 197 N 0.00 1.52 0.00 4.61 0.00 -1.68 -3.46 119.26 120.24 2jlr h ALA 197 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jlr h ALA 197 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jlr h ALA 197 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2jlr n GLY 198 N -0.69 1.83 0.10 0.00 0.00 -1.26 -5.01 105.19 100.16 2jlr n GLY 198 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2jlr n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jlr h LYS 199 N 0.00 -0.04 -0.17 1.61 1.57 -1.91 -1.11 116.57 116.52 2jlr h LYS 199 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2jlr h LYS 199 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jlr h LYS 199 CO 0.00 -0.03 -0.10 1.15 -0.57 0.00 0.00 179.45 179.91 2jlr h THR 200 N -0.04 1.32 0.00 -0.16 2.02 -1.96 -0.45 112.91 113.64 2jlr h THR 200 Ca 0.06 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2jlr h THR 200 Cb 0.13 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2jlr h THR 200 CO -0.14 0.35 -1.60 0.29 0.37 0.00 0.00 175.52 174.78 2jlr n LYS 201 N -4.59 0.47 0.00 6.66 4.76 -1.18 -4.27 118.16 120.01 2jlr n LYS 201 Ca -0.05 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2jlr n LYS 201 Cb 0.32 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2jlr n LYS 201 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2jlr n ARG 202 N -2.08 0.00 0.04 1.97 1.85 -0.53 -4.78 116.66 113.12 2jlr n ARG 202 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.64 2jlr n ARG 202 Cb 0.50 -0.76 -0.12 0.00 -1.05 0.00 0.00 32.46 31.03 2jlr n ARG 202 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2jlr h ILE 203 N 0.00 1.40 -0.44 8.89 2.04 -1.24 -3.12 117.51 125.05 2jlr h ILE 203 Ca 0.00 -2.28 -0.00 0.00 1.00 0.00 0.00 64.86 63.58 2jlr h ILE 203 Cb 0.77 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 2jlr h ILE 203 CO 0.00 0.67 0.26 0.25 0.00 0.00 0.00 178.15 179.33 2jlr h LEU 204 N -0.04 0.53 -0.73 1.44 5.85 -1.25 -1.85 115.31 119.25 2jlr h LEU 204 Ca -0.12 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2jlr h LEU 204 Cb 1.55 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 2jlr h LEU 204 CO 0.16 0.44 0.39 -0.65 -0.34 0.00 0.00 178.44 178.44 2jlr h PRO 205 N 0.58 0.67 -0.30 5.25 0.11 -1.78 -0.61 132.00 135.92 2jlr h PRO 205 Ca 0.16 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.25 2jlr h PRO 205 Cb 0.01 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 2jlr h PRO 205 CO -0.03 0.44 0.13 0.77 -0.21 0.00 0.00 178.00 179.10 2jlr h SER 206 N 0.69 0.17 -0.91 -2.05 0.02 -1.41 -1.09 113.55 108.97 2jlr h SER 206 Ca 0.35 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.36 2jlr h SER 206 Cb 0.31 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 2jlr h SER 206 CO -0.23 0.13 0.59 0.40 -1.14 0.00 0.00 176.83 176.58 2jlr h ILE 207 N 0.27 1.13 -0.37 3.27 2.04 -0.60 -1.58 117.51 121.67 2jlr h ILE 207 Ca 0.13 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 2jlr h ILE 207 Cb 0.07 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2jlr h ILE 207 CO -0.11 0.21 -0.13 0.58 0.00 0.00 0.00 178.15 178.69 2jlr h VAL 208 N 1.13 1.28 -0.34 1.67 2.07 -0.81 0.10 116.25 121.35 2jlr h VAL 208 Ca 0.37 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2jlr h VAL 208 Cb 0.03 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2jlr h VAL 208 CO -0.13 0.41 0.16 0.03 0.02 0.00 0.00 177.57 178.06 2jlr h ARG 209 N 0.55 0.46 0.16 1.57 3.08 -0.89 -0.44 114.38 118.87 2jlr h ARG 209 Ca 0.09 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.80 2jlr h ARG 209 Cb 0.67 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.63 2jlr h ARG 209 CO 0.05 0.37 -1.34 1.49 -1.07 0.00 0.00 179.97 179.46 2jlr h GLU 210 N 0.47 0.34 -0.76 0.04 4.57 -1.03 -2.51 114.58 115.69 2jlr h GLU 210 Ca 0.12 -0.58 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2jlr h GLU 210 Cb 0.06 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 2jlr h GLU 210 CO -0.02 1.27 0.40 0.00 -1.18 0.00 0.00 179.01 179.48 2jlr h ALA 211 N 0.46 1.26 -0.63 2.92 0.00 -0.48 -2.03 119.26 120.76 2jlr h ALA 211 Ca -0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2jlr h ALA 211 Cb 2.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2jlr h ALA 211 CO 0.22 0.59 0.12 -0.07 0.00 0.00 0.00 179.25 180.10 2jlr h LEU 212 N 1.07 0.99 -1.23 0.00 4.07 -1.08 -1.05 115.31 118.08 2jlr h LEU 212 Ca 0.27 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 58.00 2jlr h LEU 212 Cb 0.06 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 2jlr h LEU 212 CO -0.04 0.99 0.53 0.11 -1.08 0.00 0.00 178.44 178.95 2jlr h LYS 213 N 0.94 1.00 -0.10 1.13 1.57 -1.10 -1.83 116.57 118.18 2jlr h LYS 213 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jlr h LYS 213 Cb 0.41 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jlr h LYS 213 CO 0.01 0.66 0.00 0.54 -0.57 0.00 0.00 179.45 180.09 2jlr n ARG 214 N -4.44 1.63 -3.07 3.15 1.74 -0.79 -4.92 116.66 109.96 2jlr n ARG 214 Ca 0.10 -0.94 -0.22 0.00 -0.77 0.00 0.00 57.85 56.02 2jlr n ARG 214 Cb 0.08 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2jlr n ARG 214 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jlr n ARG 215 N 0.15 -5.15 -3.03 5.56 5.12 -0.69 -4.97 116.66 113.65 2jlr n ARG 215 Ca 0.17 0.87 -0.33 0.00 -1.93 0.00 0.00 57.85 56.63 2jlr n ARG 215 Cb 0.31 -5.68 -0.06 0.00 -1.16 0.00 0.00 32.46 25.87 2jlr n ARG 215 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jlr s LEU 216 N -6.52 4.09 -0.63 0.55 1.43 -0.47 -5.02 118.68 112.11 2jlr s LEU 216 Ca 0.33 1.44 -0.25 0.00 -1.03 0.00 0.00 54.13 54.61 2jlr s LEU 216 Cb -0.15 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.00 2jlr s LEU 216 CO 0.41 -0.20 1.09 -0.13 0.23 0.00 0.00 176.35 177.75 2jlr s ARG 217 N -2.83 3.29 -0.14 1.70 0.52 -1.26 -4.76 118.95 115.46 2jlr s ARG 217 Ca 0.54 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.45 2jlr s ARG 217 Cb -0.11 -4.11 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 2jlr s ARG 217 CO 0.17 -1.77 0.00 0.99 0.02 0.00 0.00 175.30 174.71 2jlr s THR 218 N 4.66 4.27 -0.13 0.02 2.01 -1.26 -1.98 115.64 123.23 2jlr s THR 218 Ca 0.33 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2jlr s THR 218 Cb -0.11 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2jlr s THR 218 CO 0.18 0.52 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.21 2jlr s LEU 219 N -0.00 2.29 -0.13 4.42 2.96 -0.28 -2.03 118.68 125.90 2jlr s LEU 219 Ca 0.03 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2jlr s LEU 219 Cb -0.13 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2jlr s LEU 219 CO 0.02 0.13 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.47 2jlr s ILE 220 N 0.56 3.59 -0.17 6.68 -1.09 0.75 -0.97 121.20 130.55 2jlr s ILE 220 Ca -0.12 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 2jlr s ILE 220 Cb -0.16 -2.54 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 2jlr s ILE 220 CO 0.04 0.52 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.38 2jlr s LEU 221 N 0.18 2.59 0.02 2.97 1.43 0.32 -1.40 118.68 124.79 2jlr s LEU 221 Ca -0.04 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2jlr s LEU 221 Cb -0.14 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2jlr s LEU 221 CO 0.04 0.06 -0.09 0.00 0.23 0.00 0.00 176.35 176.59 2jlr s ALA 222 N 0.95 2.92 0.23 4.21 0.00 0.73 -1.64 121.76 129.17 2jlr s ALA 222 Ca -0.02 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 2jlr s ALA 222 Cb -0.15 -1.03 0.22 0.00 0.00 0.00 0.00 23.12 22.16 2jlr s ALA 222 CO -0.01 0.61 1.87 -1.00 0.00 0.00 0.00 175.76 177.22 2jlr h PRO 223 N 4.45 1.27 -4.52 0.00 0.13 -1.88 -0.33 132.00 131.12 2jlr h PRO 223 Ca -0.48 -0.13 -0.21 0.00 -0.87 0.00 0.00 66.00 64.30 2jlr h PRO 223 Cb 1.16 -0.26 -0.15 0.00 0.13 0.00 0.00 31.00 31.89 2jlr h PRO 223 CO 0.52 0.91 -0.64 0.95 -0.23 0.00 0.00 178.00 179.51 2jlr s THR 224 N -5.90 0.10 0.15 1.56 -4.23 -1.26 -4.46 115.64 101.60 2jlr s THR 224 Ca -0.13 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.29 2jlr s THR 224 Cb 0.17 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.81 2jlr s THR 224 CO 0.83 -0.28 1.70 -0.09 -0.54 0.00 0.00 174.62 176.24 2jlr h ARG 225 N 2.75 0.75 0.00 3.99 9.65 -1.99 -1.61 114.38 127.93 2jlr h ARG 225 Ca -0.36 -0.14 -0.08 0.00 -1.10 0.00 0.00 59.98 58.31 2jlr h ARG 225 Cb 1.22 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 2jlr h ARG 225 CO 0.57 0.67 -0.36 -0.39 2.80 0.00 0.00 179.97 183.27 2jlr h VAL 226 N 0.66 0.92 -0.06 0.20 -1.51 -1.95 -0.39 116.25 114.12 2jlr h VAL 226 Ca 0.16 -1.41 -0.25 0.00 -1.23 0.00 0.00 66.70 63.97 2jlr h VAL 226 Cb 0.21 1.85 0.02 0.00 -2.13 0.00 0.00 31.29 31.23 2jlr h VAL 226 CO -0.01 0.35 -0.94 0.58 -1.23 0.00 0.00 177.57 176.32 2jlr h VAL 227 N 0.00 1.28 -0.86 7.19 2.07 -1.91 -2.18 116.25 121.83 2jlr h VAL 227 Ca -0.00 -2.13 0.10 0.00 0.82 0.00 0.00 66.70 65.48 2jlr h VAL 227 Cb 0.82 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.73 2jlr h VAL 227 CO 0.05 0.67 0.50 0.00 0.02 0.00 0.00 177.57 178.81 2jlr h ALA 228 N 0.46 1.25 -0.55 1.67 0.00 -0.95 0.23 119.26 121.38 2jlr h ALA 228 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jlr h ALA 228 Cb 1.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2jlr h ALA 228 CO 0.19 0.12 0.28 0.00 0.00 0.00 0.00 179.25 179.84 2jlr h ALA 229 N 1.47 1.46 0.00 0.00 0.00 -0.96 -1.42 119.26 119.81 2jlr h ALA 229 Ca 0.42 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2jlr h ALA 229 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jlr h ALA 229 CO -0.25 0.44 -0.71 0.93 0.00 0.00 0.00 179.25 179.65 2jlr h GLU 230 N 0.77 0.00 -0.37 0.00 5.08 -0.58 -3.23 114.58 116.25 2jlr h GLU 230 Ca 0.19 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 2jlr h GLU 230 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jlr h GLU 230 CO -0.03 0.71 -0.35 0.52 -1.00 0.00 0.00 179.01 178.86 2jlr h MET 231 N 0.00 0.84 -0.14 2.33 2.86 0.20 -3.05 114.93 117.97 2jlr h MET 231 Ca -0.01 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2jlr h MET 231 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2jlr h MET 231 CO 0.09 1.06 0.00 -0.85 1.06 0.00 0.00 176.91 178.27 2jlr n GLU 232 N -4.06 1.47 -0.08 1.72 0.28 -0.61 -2.08 120.64 117.28 2jlr n GLU 232 Ca -0.01 -0.72 -0.10 0.00 -0.16 0.00 0.00 57.16 56.17 2jlr n GLU 232 Cb 0.52 -1.29 -0.15 0.00 1.43 0.00 0.00 31.44 31.94 2jlr n GLU 232 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2jlr n GLU 233 N -0.02 0.67 0.17 3.44 0.28 -1.19 -3.77 120.64 120.23 2jlr n GLU 233 Ca 0.13 0.09 0.13 0.00 -0.16 0.00 0.00 57.16 57.34 2jlr n GLU 233 Cb 0.21 -1.60 0.57 0.00 1.43 0.00 0.00 31.44 32.05 2jlr n GLU 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jlr h ALA 234 N 0.92 1.00 -0.50 -1.84 0.00 -1.34 -3.02 119.26 114.48 2jlr h ALA 234 Ca -0.48 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.08 2jlr h ALA 234 Cb 2.16 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 19.70 2jlr h ALA 234 CO 0.04 0.00 -0.53 1.28 0.00 0.00 0.00 179.25 180.03 2jlr n LEU 235 N -2.44 4.36 0.22 0.00 4.77 -0.88 -4.86 117.00 118.17 2jlr n LEU 235 Ca 0.01 -4.36 0.08 0.00 -0.03 0.00 0.00 56.01 51.71 2jlr n LEU 235 Cb 0.22 -0.47 0.52 0.00 -2.33 0.00 0.00 43.42 41.36 2jlr n LEU 235 CO 0.20 1.77 0.84 0.08 -1.33 0.00 0.00 177.39 178.95 2jlr h ARG 236 N 1.68 0.00 0.00 3.23 0.11 -1.62 -1.86 114.38 115.93 2jlr h ARG 236 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2jlr h ARG 236 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2jlr h ARG 236 CO 0.55 0.24 -0.18 0.78 0.10 0.00 0.00 179.97 181.46 2jlr h GLY 237 N 1.27 0.00 -3.80 0.08 0.00 -1.89 -3.48 103.07 95.26 2jlr h GLY 237 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2jlr h GLY 237 CO 0.03 0.00 -0.41 1.08 0.00 0.00 0.00 176.54 177.24 2jlr s LEU 238 N -5.47 4.29 -1.05 3.11 1.43 -0.70 -4.98 118.68 115.32 2jlr s LEU 238 Ca 0.07 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 2jlr s LEU 238 Cb 0.08 -2.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 2jlr s LEU 238 CO 0.67 -0.01 1.93 -0.81 0.23 0.00 0.00 176.35 178.37 2jlr n PRO 239 N -0.75 1.84 -3.36 1.29 -0.04 -1.26 -4.92 135.00 127.80 2jlr n PRO 239 Ca -0.07 -2.30 -0.38 0.00 -0.04 0.00 0.00 63.50 60.71 2jlr n PRO 239 Cb 0.54 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 2jlr n PRO 239 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jlr s ILE 240 N 7.05 5.08 -0.28 0.52 -1.09 -1.26 -1.63 121.20 129.59 2jlr s ILE 240 Ca 0.60 0.96 0.02 0.00 -2.23 0.00 0.00 60.65 60.00 2jlr s ILE 240 Cb 0.08 -3.80 0.08 0.00 -1.58 0.00 0.00 42.46 37.23 2jlr s ILE 240 CO 0.10 0.43 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.63 2jlr s ARG 241 N -0.11 1.58 0.29 2.79 6.06 -0.55 -4.96 118.95 124.05 2jlr s ARG 241 Ca 0.26 -1.30 -0.29 0.00 -2.50 0.00 0.00 55.73 51.89 2jlr s ARG 241 Cb -0.16 -2.73 -0.10 0.00 0.06 0.00 0.00 34.95 32.01 2jlr s ARG 241 CO 0.12 -0.73 1.42 -0.47 -2.50 0.00 0.00 175.30 173.14 2jlr s TYR 242 N 1.24 2.96 -0.24 5.12 5.04 -1.26 -1.50 117.35 128.71 2jlr s TYR 242 Ca 0.00 1.14 -0.02 0.00 -2.44 0.00 0.00 57.07 55.75 2jlr s TYR 242 Cb -0.19 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.32 2jlr s TYR 242 CO -0.09 -2.53 -0.07 -0.65 -1.34 0.00 0.00 175.55 170.87 2jlr s GLN 243 N -1.00 2.91 0.51 4.97 -1.52 0.58 -4.89 119.66 121.22 2jlr s GLN 243 Ca 0.56 -0.92 -0.20 0.00 -1.95 0.00 0.00 55.36 52.85 2jlr s GLN 243 Cb -0.42 -2.95 -0.07 0.00 -0.22 0.00 0.00 33.01 29.35 2jlr s GLN 243 CO 0.49 -0.36 1.08 0.99 -0.25 0.00 0.00 175.29 177.24 2jlr s THR 244 N 1.34 3.50 -1.36 -0.19 2.01 -1.26 -4.63 115.64 115.05 2jlr s THR 244 Ca 0.01 0.93 0.27 0.00 0.31 0.00 0.00 61.69 63.22 2jlr s THR 244 Cb -0.16 -3.38 0.43 0.00 0.01 0.00 0.00 72.50 69.41 2jlr s THR 244 CO -0.05 -0.20 1.92 -0.81 -0.69 0.00 0.00 174.62 174.78 2jlr n PRO 245 N -1.13 0.32 0.28 4.92 -0.04 -1.26 -2.75 135.00 135.34 2jlr n PRO 245 Ca 0.10 0.03 0.17 0.00 -0.04 0.00 0.00 63.50 63.76 2jlr n PRO 245 Cb 0.52 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.20 2jlr n PRO 245 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jlr h ALA 246 N 3.22 1.03 -3.29 0.55 0.00 -1.99 -3.42 119.26 115.36 2jlr h ALA 246 Ca 0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 2jlr h ALA 246 Cb 0.29 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.90 2jlr h ALA 246 CO 0.00 0.05 -0.62 0.08 0.00 0.00 0.00 179.25 178.76 2jlr s VAL 247 N -3.77 4.34 -0.03 0.00 1.01 -1.11 -5.03 120.40 115.81 2jlr s VAL 247 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2jlr s VAL 247 Cb 0.10 -2.88 -0.25 0.00 0.00 0.00 0.00 36.38 33.35 2jlr s VAL 247 CO 0.54 0.54 0.71 0.11 0.00 0.00 0.00 175.10 177.00 2jlr h LYS 248 N 5.93 0.13 -3.03 2.72 1.57 -1.84 -3.46 116.57 118.60 2jlr h LYS 248 Ca -0.42 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.05 2jlr h LYS 248 Cb 1.19 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 2jlr h LYS 248 CO 0.61 0.87 -0.17 -1.54 -0.57 0.00 0.00 179.45 178.64 2jlr s SER 249 N -6.60 -0.24 -0.27 0.86 1.04 -1.26 -4.77 113.70 102.46 2jlr s SER 249 Ca -0.09 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 2jlr s SER 249 Cb 0.08 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.69 2jlr s SER 249 CO 0.82 -0.59 0.23 -0.62 0.98 0.00 0.00 173.24 174.07 2jlr s ASP 250 N -1.77 2.14 -0.30 7.02 2.15 -1.26 -5.12 116.67 119.54 2jlr s ASP 250 Ca -0.08 -0.80 -0.04 0.00 0.43 0.00 0.00 52.55 52.06 2jlr s ASP 250 Cb -0.02 0.23 0.03 0.00 -0.30 0.00 0.00 42.92 42.87 2jlr s ASP 250 CO 0.00 -0.39 0.03 -2.28 -0.17 0.00 0.00 175.17 172.36 2jlr s HIS 251 N 2.28 3.19 -0.15 -5.34 5.65 -1.26 -4.97 115.29 114.69 2jlr s HIS 251 Ca 0.09 -1.49 0.22 0.00 0.25 0.00 0.00 55.06 54.12 2jlr s HIS 251 Cb -0.15 -2.17 -0.14 0.00 -1.18 0.00 0.00 32.58 28.94 2jlr s HIS 251 CO -0.30 -0.72 0.80 -2.37 -0.65 0.00 0.00 174.74 171.50 2jlr n THR 252 N 4.73 0.42 -0.98 0.89 5.66 -1.26 -4.96 114.28 118.78 2jlr n THR 252 Ca -0.14 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 2jlr n THR 252 Cb 0.45 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 2jlr n THR 252 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jlr n GLY 253 N 1.23 0.68 3.89 1.09 0.00 -1.26 -5.03 105.19 105.79 2jlr n GLY 253 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2jlr n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jlr s ARG 254 N -0.12 2.55 -0.56 1.61 3.00 -1.26 -5.06 118.95 119.11 2jlr s ARG 254 Ca 0.00 -1.53 -0.27 0.00 0.00 0.00 0.00 55.73 53.93 2jlr s ARG 254 Cb 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 34.95 32.54 2jlr s ARG 254 CO 0.00 -0.22 1.64 -2.00 0.00 0.00 0.00 175.30 174.72 2jlr s GLU 255 N -4.16 3.03 -0.01 3.54 2.12 -1.26 -4.97 118.70 116.99 2jlr s GLU 255 Ca 0.49 0.61 -0.05 0.00 0.36 0.00 0.00 54.97 56.37 2jlr s GLU 255 Cb -0.04 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2jlr s GLU 255 CO 0.28 -2.26 0.11 -1.50 -0.54 0.00 0.00 175.26 171.35 2jlr s ILE 256 N 7.36 0.06 -0.28 -3.70 2.07 -1.26 -4.90 121.20 120.56 2jlr s ILE 256 Ca 0.61 -0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 59.23 2jlr s ILE 256 Cb -0.13 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 2jlr s ILE 256 CO 0.24 -0.28 0.16 -0.69 -1.91 0.00 0.00 174.94 172.45 2jlr s VAL 257 N -0.95 4.94 0.09 4.00 1.01 -0.64 -4.50 120.40 124.34 2jlr s VAL 257 Ca -0.10 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2jlr s VAL 257 Cb -0.06 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2jlr s VAL 257 CO 0.01 0.23 0.95 -1.81 0.00 0.00 0.00 175.10 174.48 2jlr s ASP 258 N 1.70 7.46 -0.10 3.32 1.01 -0.86 -1.49 116.67 127.70 2jlr s ASP 258 Ca 0.06 1.75 0.01 0.00 0.71 0.00 0.00 52.55 55.08 2jlr s ASP 258 Cb -0.16 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.21 2jlr s ASP 258 CO 0.08 -0.10 -0.13 -0.22 0.21 0.00 0.00 175.17 175.02 2jlr s LEU 259 N 0.18 1.57 0.18 1.23 2.96 -0.56 -0.18 118.68 124.06 2jlr s LEU 259 Ca 0.47 -0.38 -0.13 0.00 -0.22 0.00 0.00 54.13 53.87 2jlr s LEU 259 Cb -0.23 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.49 2jlr s LEU 259 CO 0.29 -0.02 0.41 0.00 -1.32 0.00 0.00 176.35 175.71 2jlr s MET 260 N 1.14 1.28 0.64 1.98 0.23 -0.49 -0.31 119.30 123.76 2jlr s MET 260 Ca -0.04 -1.01 -0.16 0.00 -1.03 0.00 0.00 55.69 53.45 2jlr s MET 260 Cb -0.14 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.60 2jlr s MET 260 CO -0.03 -0.51 1.12 0.00 -2.03 0.00 0.00 175.02 173.57 2jlr h HIS 262 N 0.21 -0.57 -0.36 0.00 3.86 -1.27 -2.44 115.15 114.58 2jlr h HIS 262 Ca -0.47 0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 58.69 2jlr h HIS 262 Cb 1.25 0.36 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 2jlr h HIS 262 CO 0.54 -0.34 -0.26 0.00 0.86 0.00 0.00 177.93 178.73 2jlr h ALA 263 N 1.50 0.88 -0.73 2.45 0.00 -1.86 -2.64 119.26 118.87 2jlr h ALA 263 Ca 0.32 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jlr h ALA 263 Cb 0.54 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2jlr h ALA 263 CO -0.74 0.63 0.40 1.15 0.00 0.00 0.00 179.25 180.69 2jlr h THR 264 N 0.63 0.92 -0.22 0.00 2.02 -1.82 0.11 112.91 114.55 2jlr h THR 264 Ca 0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2jlr h THR 264 Cb 0.76 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jlr h THR 264 CO 0.06 0.13 0.12 0.15 0.37 0.00 0.00 175.52 176.35 2jlr h PHE 265 N 0.70 0.30 -0.31 3.16 3.57 -1.12 0.24 116.94 123.50 2jlr h PHE 265 Ca 0.34 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 2jlr h PHE 265 Cb 0.28 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2jlr h PHE 265 CO -0.08 0.27 -0.30 1.15 -2.23 0.00 0.00 178.31 177.12 2jlr h THR 266 N 0.25 1.28 -0.69 4.41 2.02 -1.28 -1.41 112.91 117.49 2jlr h THR 266 Ca 0.08 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 2jlr h THR 266 Cb 0.06 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2jlr h THR 266 CO -0.01 0.46 0.19 0.74 0.37 0.00 0.00 175.52 177.26 2jlr h THR 267 N 0.55 1.26 -0.34 3.16 2.02 -0.56 -2.41 112.91 116.58 2jlr h THR 267 Ca 0.07 -0.92 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 2jlr h THR 267 Cb 0.79 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2jlr h THR 267 CO 0.06 0.36 -0.30 0.03 0.37 0.00 0.00 175.52 176.04 2jlr h ARG 268 N 1.04 0.71 0.00 6.66 3.08 -0.64 -2.74 114.38 122.50 2jlr h ARG 268 Ca 0.22 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2jlr h ARG 268 Cb 0.33 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2jlr h ARG 268 CO -0.00 0.92 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.61 2jlr h LEU 269 N 0.61 0.00 0.00 3.04 3.38 -1.06 0.11 115.31 121.38 2jlr h LEU 269 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2jlr h LEU 269 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2jlr h LEU 269 CO 0.07 0.14 -0.93 -0.07 0.09 0.00 0.00 178.44 177.74 2jlr h LEU 270 N 0.00 0.00 0.00 1.67 3.38 -1.15 -3.40 115.31 115.80 2jlr h LEU 270 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jlr h LEU 270 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2jlr h LEU 270 CO 0.02 0.39 -0.54 -1.54 0.09 0.00 0.00 178.44 176.86 2jlr n SER 271 N -2.97 2.72 -4.74 -0.43 3.41 -1.06 -5.03 113.62 105.53 2jlr n SER 271 Ca -0.03 -0.18 -0.25 0.00 -0.26 0.00 0.00 58.87 58.15 2jlr n SER 271 Cb 0.72 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 65.52 2jlr n SER 271 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jlr s SER 272 N -1.45 5.16 -0.04 4.04 0.15 0.36 -5.01 113.70 116.92 2jlr s SER 272 Ca 0.00 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 56.51 2jlr s SER 272 Cb 0.00 -1.22 -0.27 0.00 -1.71 0.00 0.00 66.02 62.82 2jlr s SER 272 CO 0.00 0.03 0.36 0.35 1.20 0.00 0.00 173.24 175.19 2jlr n THR 273 N -0.61 0.09 -0.10 6.45 -2.24 -1.26 -4.68 114.28 111.92 2jlr n THR 273 Ca -0.08 -0.43 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 2jlr n THR 273 Cb 0.56 0.04 0.18 0.00 -2.10 0.00 0.00 70.33 69.02 2jlr n THR 273 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jlr n ARG 274 N -2.16 2.69 -1.68 -0.78 5.12 -1.26 -4.88 116.66 113.71 2jlr n ARG 274 Ca -0.05 -1.71 -0.42 0.00 -1.93 0.00 0.00 57.85 53.74 2jlr n ARG 274 Cb 0.51 -1.84 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 2jlr n ARG 274 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jlr s VAL 275 N -1.92 3.04 0.87 1.55 1.01 -1.26 -4.88 120.40 118.81 2jlr s VAL 275 Ca 0.30 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2jlr s VAL 275 Cb 0.24 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.69 2jlr s VAL 275 CO 0.08 -0.01 1.11 -2.65 0.00 0.00 0.00 175.10 173.63 2jlr n PRO 276 N 7.65 -0.15 -2.03 2.72 -0.02 -1.26 -4.91 135.00 137.01 2jlr n PRO 276 Ca 0.21 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2jlr n PRO 276 Cb 0.42 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2jlr n PRO 276 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2jlr n ASN 277 N -3.54 5.66 -4.64 2.55 2.85 -1.26 -5.00 115.26 111.89 2jlr n ASN 277 Ca 0.12 -3.00 -0.51 0.00 -0.11 0.00 0.00 54.58 51.08 2jlr n ASN 277 Cb 0.51 -1.51 -0.06 0.00 1.24 0.00 0.00 39.78 39.97 2jlr n ASN 277 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2jlr n TYR 278 N 4.00 1.87 0.85 1.20 4.02 -1.26 -4.88 117.16 122.95 2jlr n TYR 278 Ca 0.50 0.46 0.10 0.00 -0.01 0.00 0.00 57.90 58.96 2jlr n TYR 278 Cb 0.34 -2.44 0.05 0.00 -0.02 0.00 0.00 39.34 37.27 2jlr n TYR 278 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2jlr n ASN 279 N 3.57 2.39 -3.77 7.72 0.23 -0.84 -4.54 115.26 120.03 2jlr n ASN 279 Ca 0.20 -1.70 -0.19 0.00 -0.53 0.00 0.00 54.58 52.36 2jlr n ASN 279 Cb 0.22 0.16 -0.17 0.00 -2.08 0.00 0.00 39.78 37.91 2jlr n ASN 279 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2jlr s LEU 280 N -1.88 0.76 -0.14 -4.53 2.96 -1.09 -0.58 118.68 114.18 2jlr s LEU 280 Ca 0.21 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2jlr s LEU 280 Cb 0.16 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.65 2jlr s LEU 280 CO 0.33 -0.16 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.52 2jlr s ILE 281 N 1.54 0.98 -0.28 6.68 1.01 -0.62 -1.13 121.20 129.39 2jlr s ILE 281 Ca -0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 2jlr s ILE 281 Cb -0.13 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2jlr s ILE 281 CO -0.03 0.19 0.11 -0.69 0.00 0.00 0.00 174.94 174.52 2jlr s VAL 282 N 1.70 4.50 -0.40 2.92 1.01 -0.14 -0.82 120.40 129.17 2jlr s VAL 282 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 2jlr s VAL 282 Cb -0.14 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2jlr s VAL 282 CO -0.08 0.23 0.40 -0.32 0.00 0.00 0.00 175.10 175.33 2jlr s MET 283 N 1.62 3.20 0.33 2.72 1.75 -0.02 -0.52 119.30 128.39 2jlr s MET 283 Ca 0.06 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.57 2jlr s MET 283 Cb -0.16 -3.93 -0.10 0.00 2.84 0.00 0.00 34.83 33.48 2jlr s MET 283 CO 0.05 -0.76 0.89 0.34 -0.65 0.00 0.00 175.02 174.90 2jlr s ASP 284 N 1.78 7.15 -1.17 1.11 2.15 -0.65 -0.45 116.67 126.59 2jlr s ASP 284 Ca 0.11 1.69 -0.09 0.00 0.43 0.00 0.00 52.55 54.69 2jlr s ASP 284 Cb -0.17 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 2jlr s ASP 284 CO 0.13 -0.13 0.80 -0.62 -0.17 0.00 0.00 175.17 175.17 2jlr n GLU 285 N 0.22 -2.90 -0.03 4.34 -0.58 0.06 -4.32 120.64 117.44 2jlr n GLU 285 Ca 0.03 0.63 0.01 0.00 -0.42 0.00 0.00 57.16 57.41 2jlr n GLU 285 Cb 0.51 -4.99 0.02 0.00 -0.57 0.00 0.00 31.44 26.41 2jlr n GLU 285 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jlr n ALA 286 N -3.95 2.51 0.89 0.62 0.00 -0.47 -2.49 120.51 117.62 2jlr n ALA 286 Ca -0.16 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.31 2jlr n ALA 286 Cb 0.63 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 19.30 2jlr n ALA 286 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2jlr n HIS 287 N -0.27 0.12 -1.71 0.00 1.44 -1.26 -4.93 115.22 108.62 2jlr n HIS 287 Ca 0.02 0.03 -0.57 0.00 -2.01 0.00 0.00 57.72 55.19 2jlr n HIS 287 Cb 0.10 -0.34 -0.07 0.00 0.12 0.00 0.00 29.99 29.81 2jlr n HIS 287 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jlr n PHE 288 N -1.64 2.06 -0.34 -1.40 -0.00 -1.04 -4.85 117.46 110.24 2jlr n PHE 288 Ca 0.05 0.51 0.11 0.00 -0.00 0.00 0.00 57.45 58.12 2jlr n PHE 288 Cb 0.36 -2.47 0.30 0.00 -0.00 0.00 0.00 39.48 37.67 2jlr n PHE 288 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2jlr n THR 289 N 4.57 1.00 -1.81 -2.13 -2.24 -1.26 -4.24 114.28 108.17 2jlr n THR 289 Ca 0.26 -1.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 2jlr n THR 289 Cb 0.14 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2jlr n THR 289 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jlr s ASP 290 N -1.00 6.39 0.34 3.42 1.11 -1.26 -4.72 116.67 120.95 2jlr s ASP 290 Ca 0.45 2.96 0.11 0.00 0.18 0.00 0.00 52.55 56.25 2jlr s ASP 290 Cb 0.24 -2.64 0.89 0.00 1.07 0.00 0.00 42.92 42.47 2jlr s ASP 290 CO 0.31 -0.88 1.77 -0.65 1.18 0.00 0.00 175.17 176.90 2jlr h PRO 291 N 4.30 0.59 -0.05 8.23 0.11 -1.93 0.23 132.00 143.47 2jlr h PRO 291 Ca -0.48 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2jlr h PRO 291 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2jlr h PRO 291 CO 0.75 0.39 -0.27 0.00 -0.21 0.00 0.00 178.00 178.65 2jlr h SER 293 N 0.08 0.65 -0.57 0.00 0.87 -0.90 -1.50 113.55 112.18 2jlr h SER 293 Ca 0.01 -0.83 0.01 0.00 -1.23 0.00 0.00 61.79 59.75 2jlr h SER 293 Cb 0.53 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2jlr h SER 293 CO 0.04 1.41 0.37 0.58 -0.53 0.00 0.00 176.83 178.70 2jlr h VAL 294 N -0.02 1.12 -0.82 2.23 2.07 -1.13 -2.13 116.25 117.57 2jlr h VAL 294 Ca -0.13 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2jlr h VAL 294 Cb 1.62 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2jlr h VAL 294 CO 0.17 0.14 0.44 0.00 0.02 0.00 0.00 177.57 178.34 2jlr h ALA 295 N 1.22 1.05 -0.48 1.67 0.00 -0.94 -2.16 119.26 119.62 2jlr h ALA 295 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jlr h ALA 295 Cb -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2jlr h ALA 295 CO -0.06 0.57 0.30 0.00 0.00 0.00 0.00 179.25 180.06 2jlr h ALA 296 N 1.23 0.61 -0.76 0.00 0.00 -0.99 -1.35 119.26 117.99 2jlr h ALA 296 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2jlr h ALA 296 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jlr h ALA 296 CO -0.04 0.08 0.45 0.00 0.00 0.00 0.00 179.25 179.74 2jlr h ARG 297 N 0.64 1.04 -0.02 0.00 3.08 -1.13 -0.01 114.38 117.98 2jlr h ARG 297 Ca 0.17 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2jlr h ARG 297 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 2jlr h ARG 297 CO -0.03 0.74 -0.05 0.78 -1.07 0.00 0.00 179.97 180.34 2jlr h GLY 298 N 1.05 -0.04 0.67 0.04 0.00 -1.06 -0.80 103.07 102.93 2jlr h GLY 298 Ca 0.27 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.70 2jlr h GLY 298 CO -0.05 -0.06 0.04 -1.82 0.00 0.00 0.00 176.54 174.65 2jlr h TYR 299 N -0.08 0.06 -0.37 5.60 3.20 -0.89 -2.67 116.97 121.82 2jlr h TYR 299 Ca 0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2jlr h TYR 299 Cb 0.12 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2jlr h TYR 299 CO -0.13 0.01 0.05 0.82 -1.64 0.00 0.00 178.16 177.27 2jlr h ILE 300 N 0.13 1.24 -0.94 1.81 2.04 -0.82 -1.47 117.51 119.51 2jlr h ILE 300 Ca 0.12 -0.86 0.12 0.00 1.00 0.00 0.00 64.86 65.25 2jlr h ILE 300 Cb 0.14 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 2jlr h ILE 300 CO -0.17 0.29 0.60 -1.28 0.00 0.00 0.00 178.15 177.59 2jlr h SER 301 N 0.46 0.80 -0.17 1.72 0.87 -1.06 -0.09 113.55 116.08 2jlr h SER 301 Ca 0.11 0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.53 2jlr h SER 301 Cb 0.37 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2jlr h SER 301 CO 0.01 0.43 -0.60 0.74 -0.53 0.00 0.00 176.83 176.88 2jlr h THR 302 N 0.86 1.31 -0.48 2.23 2.02 -1.08 -0.36 112.91 117.41 2jlr h THR 302 Ca 0.46 -1.83 0.07 0.00 0.77 0.00 0.00 66.41 65.88 2jlr h THR 302 Cb 0.56 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 2jlr h THR 302 CO -0.23 0.57 0.16 0.03 0.37 0.00 0.00 175.52 176.42 2jlr h ARG 303 N 0.41 0.31 -0.08 6.66 2.47 -0.71 -0.45 114.38 122.99 2jlr h ARG 303 Ca -0.03 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2jlr h ARG 303 Cb 1.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 2jlr h ARG 303 CO 0.13 0.21 0.02 0.28 0.56 0.00 0.00 179.97 181.17 2jlr h VAL 304 N 0.32 0.98 0.00 2.04 2.07 -0.91 -2.33 116.25 118.42 2jlr h VAL 304 Ca 0.23 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 2jlr h VAL 304 Cb 0.26 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2jlr h VAL 304 CO -0.25 0.01 -0.00 -0.08 0.02 0.00 0.00 177.57 177.27 2jlr h GLU 305 N 0.06 0.00 0.00 1.57 4.81 -0.65 -0.03 114.58 120.35 2jlr h GLU 305 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jlr h GLU 305 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2jlr h GLU 305 CO -0.04 0.00 0.00 0.52 -0.73 0.00 0.00 179.01 178.76 2jlr h MET 306 N 0.00 0.00 0.00 1.92 2.86 -0.72 -3.47 114.93 115.52 2jlr h MET 306 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jlr h MET 306 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2jlr h MET 306 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2jlr n GLY 307 N 0.46 0.60 0.04 8.32 0.00 -0.03 -4.95 105.19 109.62 2jlr n GLY 307 Ca 0.03 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.58 2jlr n GLY 307 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jlr n GLU 308 N -2.68 0.44 -3.71 1.61 -0.58 -0.91 -4.73 120.64 110.08 2jlr n GLU 308 Ca 0.00 -0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.56 2jlr n GLU 308 Cb 0.00 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.20 2jlr n GLU 308 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jlr s ALA 309 N -3.32 -0.90 0.07 0.62 0.00 -1.22 -4.27 121.76 112.75 2jlr s ALA 309 Ca -0.01 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2jlr s ALA 309 Cb 0.14 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2jlr s ALA 309 CO 0.84 -0.37 0.19 0.00 0.00 0.00 0.00 175.76 176.42 2jlr s ALA 310 N -2.00 3.91 0.02 0.00 0.00 0.26 -1.41 121.76 122.53 2jlr s ALA 310 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2jlr s ALA 310 Cb -0.02 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2jlr s ALA 310 CO 0.01 0.78 -0.05 0.00 0.00 0.00 0.00 175.76 176.50 2jlr s ALA 311 N -1.51 0.33 -0.15 0.00 0.00 -0.43 -1.59 121.76 118.42 2jlr s ALA 311 Ca 0.34 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 2jlr s ALA 311 Cb -0.13 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2jlr s ALA 311 CO 0.27 -0.02 -0.08 0.42 0.00 0.00 0.00 175.76 176.36 2jlr s ILE 312 N -0.83 1.19 -0.31 0.00 1.01 0.00 -0.45 121.20 121.82 2jlr s ILE 312 Ca -0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2jlr s ILE 312 Cb -0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2jlr s ILE 312 CO -0.00 0.25 0.32 -0.36 0.00 0.00 0.00 174.94 175.15 2jlr s PHE 313 N 1.62 3.22 -0.29 3.97 0.08 0.41 -0.84 117.98 126.16 2jlr s PHE 313 Ca 0.02 0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 2jlr s PHE 313 Cb -0.14 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2jlr s PHE 313 CO -0.08 -0.31 0.15 -1.64 -0.10 0.00 0.00 175.22 173.23 2jlr s MET 314 N 1.96 3.63 -0.29 0.44 -1.94 0.41 -0.95 119.30 122.56 2jlr s MET 314 Ca 0.11 -0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 53.36 2jlr s MET 314 Cb -0.16 -3.55 0.14 0.00 2.01 0.00 0.00 34.83 33.27 2jlr s MET 314 CO 0.11 -0.28 1.07 -0.08 -0.01 0.00 0.00 175.02 175.83 2jlr s THR 315 N 1.67 0.00 -0.11 2.05 -1.32 -0.58 -0.76 115.64 116.58 2jlr s THR 315 Ca 0.06 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.83 2jlr s THR 315 Cb -0.16 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.14 2jlr s THR 315 CO 0.07 0.00 1.87 0.00 -2.21 0.00 0.00 174.62 174.35 2jlr h ALA 316 N 4.86 1.00 -2.40 11.08 0.00 -1.80 -3.33 119.26 128.67 2jlr h ALA 316 Ca -0.28 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 2jlr h ALA 316 Cb 1.18 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.58 2jlr h ALA 316 CO 0.16 0.00 -0.89 0.25 0.00 0.00 0.00 179.25 178.76 2jlr n THR 317 N -2.60 -0.22 -1.02 0.00 -2.24 -1.26 -4.86 114.28 102.07 2jlr n THR 317 Ca 0.00 -4.00 -0.29 0.00 -2.27 0.00 0.00 64.05 57.49 2jlr n THR 317 Cb 0.20 -1.87 0.19 0.00 -2.10 0.00 0.00 70.33 66.75 2jlr n THR 317 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2jlr s PRO 318 N -0.75 0.29 0.20 -0.78 0.02 -1.26 -4.58 135.00 128.14 2jlr s PRO 318 Ca 0.33 0.68 -0.32 0.00 0.02 0.00 0.00 61.00 61.71 2jlr s PRO 318 Cb 0.06 -1.71 -0.15 0.00 0.02 0.00 0.00 34.50 32.72 2jlr s PRO 318 CO -0.16 -2.86 1.13 -2.30 -0.33 0.00 0.00 177.00 172.48 2jlr n PRO 319 N -4.29 1.22 -0.47 5.54 -0.02 -1.26 -2.22 135.00 133.50 2jlr n PRO 319 Ca 0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2jlr n PRO 319 Cb 0.56 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2jlr n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jlr n GLY 320 N 1.86 0.74 3.75 -1.23 0.00 -1.26 -5.01 105.19 104.04 2jlr n GLY 320 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2jlr n GLY 320 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jlr s SER 321 N -2.70 6.53 0.00 1.61 0.01 -0.94 -4.91 113.70 113.29 2jlr s SER 321 Ca 0.00 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.05 2jlr s SER 321 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jlr s SER 321 CO 0.00 -0.80 0.14 0.35 0.41 0.00 0.00 173.24 173.34 2jlr n THR 322 N 2.31 0.00 -3.37 1.44 -2.24 -1.26 -4.03 114.28 107.13 2jlr n THR 322 Ca 0.08 -0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 2jlr n THR 322 Cb 0.39 1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.99 2jlr n THR 322 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jlr s ASP 323 N -0.10 6.15 0.15 3.42 2.15 -1.26 -4.91 116.67 122.27 2jlr s ASP 323 Ca 0.00 -1.15 0.24 0.00 0.43 0.00 0.00 52.55 52.07 2jlr s ASP 323 Cb 0.00 -2.19 0.91 0.00 -0.30 0.00 0.00 42.92 41.34 2jlr s ASP 323 CO 0.00 -0.63 1.73 -2.65 -0.17 0.00 0.00 175.17 173.45 2jlr n PRO 324 N 5.33 0.15 -2.98 4.34 -0.02 -1.26 -4.11 135.00 136.45 2jlr n PRO 324 Ca -0.11 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.37 2jlr n PRO 324 Cb 0.45 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2jlr n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jlr n PHE 325 N -1.99 2.98 -1.17 6.00 3.72 -1.26 -3.87 117.46 121.87 2jlr n PHE 325 Ca 0.04 -3.89 -0.29 0.00 -0.05 0.00 0.00 57.45 53.27 2jlr n PHE 325 Cb 0.31 -0.45 0.18 0.00 -0.94 0.00 0.00 39.48 38.58 2jlr n PHE 325 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2jlr s PRO 326 N -3.20 0.25 0.85 -1.08 0.04 -1.26 -5.01 135.00 125.59 2jlr s PRO 326 Ca 0.46 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 2jlr s PRO 326 Cb 0.31 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 33.23 2jlr s PRO 326 CO -0.12 -2.84 1.09 1.14 0.04 0.00 0.00 177.00 176.31 2jlr s GLN 327 N -5.00 1.60 0.16 4.56 -2.07 -1.26 -5.03 119.66 112.63 2jlr s GLN 327 Ca 0.66 0.95 -0.13 0.00 -1.82 0.00 0.00 55.36 55.02 2jlr s GLN 327 Cb -0.18 -1.84 0.01 0.00 -1.09 0.00 0.00 33.01 29.91 2jlr s GLN 327 CO 0.57 -2.04 0.38 -1.54 -1.32 0.00 0.00 175.29 171.35 2jlr s SER 328 N -3.40 -0.11 0.20 12.60 1.04 -1.26 -4.32 113.70 118.46 2jlr s SER 328 Ca 0.63 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 2jlr s SER 328 Cb -0.18 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.57 2jlr s SER 328 CO 0.57 -0.93 1.78 0.78 0.98 0.00 0.00 173.24 176.42 2jlr h ASN 329 N 2.41 1.00 -3.64 7.02 2.35 -1.71 -3.44 115.58 119.57 2jlr h ASN 329 Ca -0.31 -0.15 -0.39 0.00 -0.55 0.00 0.00 56.30 54.90 2jlr h ASN 329 Cb 1.24 -0.26 -0.14 0.00 0.05 0.00 0.00 38.32 39.21 2jlr h ASN 329 CO 0.45 0.87 -0.69 -0.94 -1.65 0.00 0.00 177.43 175.46 2jlr s SER 330 N -6.21 2.09 0.36 5.81 1.04 -0.75 -4.65 113.70 111.39 2jlr s SER 330 Ca -0.13 -1.11 -0.28 0.00 0.48 0.00 0.00 55.95 54.91 2jlr s SER 330 Cb 0.15 -0.05 -0.11 0.00 0.10 0.00 0.00 66.02 66.10 2jlr s SER 330 CO 0.82 -0.37 1.44 -2.65 0.98 0.00 0.00 173.24 173.46 2jlr n PRO 331 N -0.36 2.53 -5.07 4.02 -0.02 -1.26 -4.73 135.00 130.10 2jlr n PRO 331 Ca -0.07 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 2jlr n PRO 331 Cb 0.62 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 2jlr n PRO 331 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jlr s ILE 332 N -1.05 2.47 -0.45 4.25 1.01 -1.26 -4.08 121.20 122.08 2jlr s ILE 332 Ca 0.54 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 2jlr s ILE 332 Cb -0.50 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.04 2jlr s ILE 332 CO 0.63 0.56 0.88 -0.70 0.00 0.00 0.00 174.94 176.30 2jlr s GLU 333 N 0.01 3.52 -0.55 2.79 2.12 -0.40 -4.93 118.70 121.26 2jlr s GLU 333 Ca -0.07 0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.13 2jlr s GLU 333 Cb -0.15 -3.92 0.04 0.00 0.26 0.00 0.00 34.13 30.37 2jlr s GLU 333 CO 0.05 -1.16 0.91 -0.51 -0.54 0.00 0.00 175.26 174.00 2jlr s ASP 334 N 2.19 6.32 -0.28 -1.70 1.01 -1.26 -0.62 116.67 122.34 2jlr s ASP 334 Ca 0.35 -0.43 -0.05 0.00 0.71 0.00 0.00 52.55 53.13 2jlr s ASP 334 Cb -0.11 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.42 2jlr s ASP 334 CO 0.24 -1.19 0.02 -0.63 0.21 0.00 0.00 175.17 173.82 2jlr s ILE 335 N 3.80 3.53 -0.32 0.77 1.01 0.66 -4.99 121.20 125.66 2jlr s ILE 335 Ca 0.28 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 2jlr s ILE 335 Cb -0.13 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2jlr s ILE 335 CO 0.18 0.12 0.33 -0.70 0.00 0.00 0.00 174.94 174.88 2jlr s GLU 336 N 1.43 3.72 0.23 2.79 2.12 -1.26 -0.85 118.70 126.88 2jlr s GLU 336 Ca 0.02 -0.31 -0.22 0.00 0.36 0.00 0.00 54.97 54.81 2jlr s GLU 336 Cb -0.17 -3.75 0.04 0.00 0.26 0.00 0.00 34.13 30.51 2jlr s GLU 336 CO -0.00 -0.41 0.74 -0.98 -0.54 0.00 0.00 175.26 174.07 2jlr s ARG 337 N 1.98 1.59 0.29 4.30 1.70 -0.45 -4.96 118.95 123.40 2jlr s ARG 337 Ca 0.11 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.24 2jlr s ARG 337 Cb -0.16 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 2jlr s ARG 337 CO 0.11 -0.72 1.45 -2.00 -1.08 0.00 0.00 175.30 173.05 2jlr s GLU 338 N -3.77 4.23 -0.07 3.89 2.12 -1.26 -4.27 118.70 119.58 2jlr s GLU 338 Ca 0.09 2.38 0.03 0.00 0.36 0.00 0.00 54.97 57.83 2jlr s GLU 338 Cb -0.04 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2jlr s GLU 338 CO 0.03 -0.43 -0.13 0.42 -0.54 0.00 0.00 175.26 174.60 2jlr s ILE 339 N -0.42 1.22 0.34 -3.70 1.01 -1.26 -5.07 121.20 113.31 2jlr s ILE 339 Ca 0.57 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 2jlr s ILE 339 Cb -0.43 -1.10 -0.11 0.00 0.01 0.00 0.00 42.46 40.83 2jlr s ILE 339 CO 0.49 0.37 1.49 -2.16 0.00 0.00 0.00 174.94 175.13 2jlr s PRO 340 N 0.59 4.16 0.25 2.79 0.04 -1.26 -4.92 135.00 136.65 2jlr s PRO 340 Ca -0.14 2.51 0.19 0.00 0.04 0.00 0.00 61.00 63.60 2jlr s PRO 340 Cb -0.16 -3.01 0.07 0.00 0.04 0.00 0.00 34.50 31.45 2jlr s PRO 340 CO 0.04 -0.51 1.23 0.93 0.04 0.00 0.00 177.00 178.73 2jlr h GLU 341 N 3.70 0.00 0.00 4.56 5.08 -2.00 -3.49 114.58 122.43 2jlr h GLU 341 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2jlr h GLU 341 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jlr h GLU 341 CO 0.69 0.19 0.00 2.89 -1.00 0.00 0.00 179.01 181.78 2jlr n ARG 342 N -2.96 0.00 -1.60 2.33 1.85 -1.26 -4.90 116.66 110.12 2jlr n ARG 342 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.39 2jlr n ARG 342 Cb 0.66 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.04 2jlr n ARG 342 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jlr n SER 343 N -1.15 1.53 -4.37 2.89 7.64 -1.26 -4.85 113.62 114.04 2jlr n SER 343 Ca 0.00 1.17 -0.19 0.00 1.01 0.00 0.00 58.87 60.86 2jlr n SER 343 Cb 0.00 -1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 61.80 2jlr n SER 343 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2jlr s TRP 344 N -0.76 1.72 0.00 1.43 -2.14 -1.26 -5.07 118.94 112.86 2jlr s TRP 344 Ca 0.63 -0.97 0.00 0.00 2.66 0.00 0.00 56.10 58.42 2jlr s TRP 344 Cb -0.72 -1.04 0.00 0.00 -3.10 0.00 0.00 33.47 28.60 2jlr s TRP 344 CO 0.57 -0.06 0.00 0.09 -2.66 0.00 0.00 176.95 174.89 2jlr n ASN 345 N -0.53 2.29 -3.72 -2.66 3.02 -1.26 -5.06 115.26 107.35 2jlr n ASN 345 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2jlr n ASN 345 Cb 0.65 0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 2jlr n ASN 345 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jlr s THR 346 N -1.18 0.07 0.00 3.41 -4.23 -1.26 -4.97 115.64 107.49 2jlr s THR 346 Ca 0.00 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2jlr s THR 346 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2jlr s THR 346 CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2jlr n GLY 347 N 0.52 0.79 2.68 3.99 0.00 -1.26 -4.93 105.19 106.97 2jlr n GLY 347 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2jlr n GLY 347 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jlr n PHE 348 N -2.25 1.45 0.19 1.61 3.72 -1.26 -4.91 117.46 116.01 2jlr n PHE 348 Ca 0.00 -2.55 0.06 0.00 -0.05 0.00 0.00 57.45 54.91 2jlr n PHE 348 Cb 0.00 -0.30 0.54 0.00 -0.94 0.00 0.00 39.48 38.78 2jlr n PHE 348 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jlr h ASP 349 N 2.78 0.10 0.00 4.37 3.32 -1.99 -2.44 116.42 122.57 2jlr h ASP 349 Ca -0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2jlr h ASP 349 Cb 1.21 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jlr h ASP 349 CO 0.42 0.14 -0.00 4.11 -1.72 0.00 0.00 179.24 182.20 2jlr h TRP 350 N 0.12 0.00 -0.13 4.55 5.08 -1.97 0.32 115.95 123.92 2jlr h TRP 350 Ca 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 2jlr h TRP 350 Cb 0.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 2jlr h TRP 350 CO 0.00 0.00 0.04 0.82 -1.28 0.00 0.00 178.44 178.02 2jlr h ILE 351 N 0.00 1.17 0.00 0.12 2.04 -1.86 -3.14 117.51 115.85 2jlr h ILE 351 Ca -0.00 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2jlr h ILE 351 Cb 0.00 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2jlr h ILE 351 CO 0.00 0.16 -1.55 0.35 0.00 0.00 0.00 178.15 177.11 2jlr n THR 352 N -4.87 0.39 0.69 -0.27 -2.24 -0.82 -3.89 114.28 103.27 2jlr n THR 352 Ca -0.05 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2jlr n THR 352 Cb 0.14 -0.21 0.36 0.00 -2.10 0.00 0.00 70.33 68.52 2jlr n THR 352 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jlr n ASP 353 N -2.49 0.65 -4.77 3.42 8.00 0.04 -4.86 116.55 116.53 2jlr n ASP 353 Ca -0.04 0.39 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 2jlr n ASP 353 Cb 0.60 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2jlr n ASP 353 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jlr s TYR 354 N -3.10 2.76 -0.07 1.24 5.04 -1.19 -4.94 117.35 117.11 2jlr s TYR 354 Ca 0.10 1.30 0.22 0.00 -2.44 0.00 0.00 57.07 56.24 2jlr s TYR 354 Cb 0.14 -3.85 -0.29 0.00 0.35 0.00 0.00 41.96 38.31 2jlr s TYR 354 CO 0.63 -2.48 0.52 0.94 -1.34 0.00 0.00 175.55 173.82 2jlr n GLN 355 N 0.47 0.66 -0.10 4.97 -0.06 -1.26 -4.96 117.38 117.09 2jlr n GLN 355 Ca 0.01 -0.14 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 2jlr n GLN 355 Cb 0.41 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 2jlr n GLN 355 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jlr n GLY 356 N 1.29 1.27 3.89 1.69 0.00 -1.26 -5.10 105.19 106.97 2jlr n GLY 356 Ca -0.06 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 2jlr n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jlr s LYS 357 N 1.69 3.49 -0.00 1.61 1.02 -1.26 -4.93 119.74 121.36 2jlr s LYS 357 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 55.97 55.84 2jlr s LYS 357 Cb 0.00 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2jlr s LYS 357 CO 0.00 0.68 -0.16 0.99 -0.92 0.00 0.00 175.35 175.94 2jlr s THR 358 N -1.28 1.24 -0.21 2.17 2.01 -0.67 -1.51 115.64 117.39 2jlr s THR 358 Ca 0.26 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 2jlr s THR 358 Cb -0.13 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2jlr s THR 358 CO 0.16 0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 2jlr s VAL 359 N -0.43 3.32 -0.28 3.82 1.01 -0.15 -0.19 120.40 127.49 2jlr s VAL 359 Ca 0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2jlr s VAL 359 Cb -0.06 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.86 2jlr s VAL 359 CO -0.00 0.44 -0.01 0.86 0.00 0.00 0.00 175.10 176.38 2jlr s TRP 360 N 1.37 3.18 -0.29 5.22 -0.11 0.19 -1.07 118.94 127.43 2jlr s TRP 360 Ca 0.05 -1.66 -0.24 0.00 1.22 0.00 0.00 56.10 55.46 2jlr s TRP 360 Cb -0.14 -2.11 0.00 0.00 -1.50 0.00 0.00 33.47 29.72 2jlr s TRP 360 CO -0.03 -0.75 0.82 -0.06 -4.62 0.00 0.00 176.95 172.31 2jlr s PHE 361 N 1.31 3.23 0.22 5.86 0.40 -0.47 -0.94 117.98 127.57 2jlr s PHE 361 Ca -0.02 0.94 0.08 0.00 -0.60 0.00 0.00 56.93 57.32 2jlr s PHE 361 Cb -0.18 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.09 2jlr s PHE 361 CO -0.02 -0.54 0.04 0.14 0.70 0.00 0.00 175.22 175.55 2jlr s VAL 362 N 2.99 3.83 0.14 -0.44 -7.23 0.21 -4.38 120.40 115.51 2jlr s VAL 362 Ca 0.34 -1.55 0.13 0.00 -1.81 0.00 0.00 61.98 59.09 2jlr s VAL 362 Cb -0.14 -2.99 -0.00 0.00 0.56 0.00 0.00 36.38 33.80 2jlr s VAL 362 CO 0.11 -0.24 1.55 1.55 -0.31 0.00 0.00 175.10 177.77 2jlr h PRO 363 N 2.21 0.00 -4.04 4.82 0.13 -1.87 -3.39 132.00 129.85 2jlr h PRO 363 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2jlr h PRO 363 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2jlr h PRO 363 CO 0.60 0.61 -0.37 -1.54 -0.23 0.00 0.00 178.00 177.06 2jlr s SER 364 N -6.63 0.06 0.17 1.44 1.04 -1.26 -3.30 113.70 105.22 2jlr s SER 364 Ca 0.00 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 2jlr s SER 364 Cb 0.11 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.75 2jlr s SER 364 CO 0.75 -0.93 1.70 0.40 0.98 0.00 0.00 173.24 176.14 2jlr h ILE 365 N 2.52 1.25 0.08 -1.02 2.04 -1.93 -1.73 117.51 118.71 2jlr h ILE 365 Ca -0.32 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2jlr h ILE 365 Cb 1.24 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2jlr h ILE 365 CO 0.47 0.32 -0.06 0.11 0.00 0.00 0.00 178.15 179.00 2jlr h LYS 366 N 0.86 -0.14 -0.82 2.37 1.57 -1.97 0.40 116.57 118.84 2jlr h LYS 366 Ca 0.19 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.11 2jlr h LYS 366 Cb 0.31 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 2jlr h LYS 366 CO -0.00 -0.09 0.42 0.00 -0.57 0.00 0.00 179.45 179.21 2jlr h ALA 367 N 0.78 1.20 -0.47 3.86 0.00 -1.91 -0.74 119.26 121.97 2jlr h ALA 367 Ca -0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2jlr h ALA 367 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jlr h ALA 367 CO -0.01 -0.06 -0.15 0.78 0.00 0.00 0.00 179.25 179.81 2jlr h GLY 368 N 0.63 1.02 0.64 0.00 0.00 -0.56 -1.50 103.07 103.30 2jlr h GLY 368 Ca 0.43 -0.87 0.04 0.00 0.00 0.00 0.00 47.33 46.93 2jlr h GLY 368 CO -0.34 0.79 -0.02 3.43 0.00 0.00 0.00 176.54 180.40 2jlr h ASN 369 N 0.79 -0.13 0.21 0.19 2.35 0.38 0.38 115.58 119.75 2jlr h ASN 369 Ca 0.12 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2jlr h ASN 369 Cb 0.72 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2jlr h ASN 369 CO 0.05 -0.04 -0.33 -0.78 -1.65 0.00 0.00 177.43 174.68 2jlr h ASP 370 N 0.04 -0.94 -0.31 5.81 1.82 -1.03 -2.11 116.42 119.70 2jlr h ASP 370 Ca 0.10 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2jlr h ASP 370 Cb 0.14 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 2jlr h ASP 370 CO -0.19 -0.44 0.18 0.40 -1.61 0.00 0.00 179.24 177.58 2jlr h ILE 371 N -0.62 1.12 -0.62 2.25 1.08 -1.16 -2.17 117.51 117.39 2jlr h ILE 371 Ca 0.01 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2jlr h ILE 371 Cb 0.61 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2jlr h ILE 371 CO -0.14 0.12 0.29 0.00 -0.69 0.00 0.00 178.15 177.73 2jlr h ALA 372 N 1.06 1.34 -0.06 1.87 0.00 -0.86 -1.08 119.26 121.54 2jlr h ALA 372 Ca 0.11 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2jlr h ALA 372 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jlr h ALA 372 CO -0.02 0.51 -0.56 -0.91 0.00 0.00 0.00 179.25 178.27 2jlr h ASN 373 N 0.88 0.19 -0.42 0.00 2.35 -1.13 -0.61 115.58 116.83 2jlr h ASN 373 Ca 0.22 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 2jlr h ASN 373 Cb 0.10 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jlr h ASN 373 CO -0.03 0.71 -0.26 0.00 -1.65 0.00 0.00 177.43 176.21 2jlr h LEU 375 N 0.75 0.49 -0.82 0.00 3.38 -1.10 -3.21 115.31 114.80 2jlr h LEU 375 Ca 0.09 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2jlr h LEU 375 Cb 0.83 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jlr h LEU 375 CO 0.07 0.84 -0.58 0.03 0.09 0.00 0.00 178.44 178.89 2jlr h ARG 376 N 0.39 0.00 0.00 1.13 3.08 -1.02 -2.09 114.38 115.86 2jlr h ARG 376 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2jlr h ARG 376 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2jlr h ARG 376 CO 0.07 0.58 -0.25 0.87 -1.07 0.00 0.00 179.97 180.17 2jlr h LYS 377 N 0.00 0.00 -0.05 0.04 1.57 -1.46 -2.63 116.57 114.03 2jlr h LYS 377 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jlr h LYS 377 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2jlr h LYS 377 CO 0.08 0.25 0.00 0.43 -0.57 0.00 0.00 179.45 179.64 2jlr n SER 378 N -3.51 1.18 0.00 0.86 7.64 -0.96 -4.89 113.62 113.94 2jlr n SER 378 Ca -0.00 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.41 2jlr n SER 378 Cb 0.41 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2jlr n SER 378 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jlr n GLY 379 N 1.11 0.80 3.75 0.23 0.00 -0.99 -5.06 105.19 105.02 2jlr n GLY 379 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2jlr n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jlr s LYS 380 N -0.74 4.74 -0.16 1.61 -0.14 -0.83 -5.01 119.74 119.21 2jlr s LYS 380 Ca 0.00 1.63 -0.23 0.00 -1.36 0.00 0.00 55.97 56.02 2jlr s LYS 380 Cb 0.00 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2jlr s LYS 380 CO 0.00 0.34 0.70 1.03 -0.76 0.00 0.00 175.35 176.67 2jlr s ARG 381 N -1.15 4.28 -0.06 1.68 0.52 -1.26 -4.12 118.95 118.84 2jlr s ARG 381 Ca 0.43 0.79 0.04 0.00 -0.52 0.00 0.00 55.73 56.47 2jlr s ARG 381 Cb -0.29 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.63 2jlr s ARG 381 CO 0.36 -0.21 -0.18 0.08 0.02 0.00 0.00 175.30 175.37 2jlr s VAL 382 N 1.76 1.52 -0.14 3.52 1.01 -1.26 -1.21 120.40 125.60 2jlr s VAL 382 Ca 0.33 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2jlr s VAL 382 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2jlr s VAL 382 CO 0.12 0.44 -0.06 -0.63 0.00 0.00 0.00 175.10 174.97 2jlr s ILE 383 N 0.19 3.72 -0.15 2.22 1.01 -0.50 -5.01 121.20 122.68 2jlr s ILE 383 Ca -0.08 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2jlr s ILE 383 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2jlr s ILE 383 CO 0.04 0.52 0.13 -1.10 0.00 0.00 0.00 174.94 174.52 2jlr s GLN 384 N 0.16 3.69 -0.08 2.79 -0.21 -1.26 -0.80 119.66 123.94 2jlr s GLN 384 Ca -0.03 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.19 2jlr s GLN 384 Cb -0.14 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.63 2jlr s GLN 384 CO 0.03 0.59 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.13 2jlr s LEU 385 N -0.50 1.76 0.32 2.90 1.43 -0.53 -4.86 118.68 119.20 2jlr s LEU 385 Ca 0.12 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2jlr s LEU 385 Cb -0.12 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2jlr s LEU 385 CO 0.02 0.06 0.25 -0.94 0.23 0.00 0.00 176.35 175.96 2jlr s SER 386 N 0.65 1.58 0.30 2.29 1.04 -1.26 -1.80 113.70 116.49 2jlr s SER 386 Ca -0.14 -1.70 0.03 0.00 0.48 0.00 0.00 55.95 54.61 2jlr s SER 386 Cb -0.16 0.53 0.61 0.00 0.10 0.00 0.00 66.02 67.10 2jlr s SER 386 CO 0.04 -1.02 1.86 0.03 0.98 0.00 0.00 173.24 175.12 2jlr h ARG 387 N 2.17 0.90 0.00 4.02 3.08 -1.98 0.34 114.38 122.91 2jlr h ARG 387 Ca -0.27 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 2jlr h ARG 387 Cb 1.24 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2jlr h ARG 387 CO 0.40 0.60 -0.68 -0.22 -1.07 0.00 0.00 179.97 179.00 2jlr h LYS 388 N 0.93 0.00 -0.01 0.04 3.64 -2.03 -3.32 116.57 115.82 2jlr h LYS 388 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2jlr h LYS 388 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2jlr h LYS 388 CO -0.23 0.25 -0.22 0.25 -2.27 0.00 0.00 179.45 177.23 2jlr n THR 389 N -3.02 0.00 -0.01 1.00 -2.24 -0.89 -4.66 114.28 104.46 2jlr n THR 389 Ca -0.00 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 2jlr n THR 389 Cb 0.68 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 2jlr n THR 389 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2jlr h PHE 390 N 1.49 -0.50 0.00 4.78 3.57 -0.45 0.27 116.94 126.10 2jlr h PHE 390 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2jlr h PHE 390 Cb 0.43 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 2jlr h PHE 390 CO 0.00 -0.27 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.36 2jlr h ASP 391 N -0.23 0.00 0.00 0.41 3.45 -1.83 0.84 116.42 119.05 2jlr h ASP 391 Ca 0.11 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.32 2jlr h ASP 391 Cb 0.39 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.11 2jlr h ASP 391 CO -0.29 0.01 -2.02 0.35 -1.57 0.00 0.00 179.24 175.72 2jlr n THR 392 N -3.50 0.94 -0.02 0.35 -2.24 -0.90 -4.67 114.28 104.25 2jlr n THR 392 Ca -0.03 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 2jlr n THR 392 Cb 0.09 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.66 2jlr n THR 392 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jlr n GLU 393 N -2.52 0.72 -0.24 -0.78 -0.58 0.89 -4.41 120.64 113.73 2jlr n GLU 393 Ca -0.23 0.24 0.04 0.00 -0.42 0.00 0.00 57.16 56.79 2jlr n GLU 393 Cb 0.94 -1.69 0.16 0.00 -0.57 0.00 0.00 31.44 30.29 2jlr n GLU 393 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2jlr h TYR 394 N 0.05 0.38 -0.63 -0.32 3.20 -1.02 -0.00 116.97 118.62 2jlr h TYR 394 Ca -0.43 0.04 0.16 0.00 3.14 0.00 0.00 58.73 61.64 2jlr h TYR 394 Cb 2.02 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 40.20 2jlr h TYR 394 CO 0.06 0.01 0.44 -1.35 -1.64 0.00 0.00 178.16 175.68 2jlr h PRO 395 N 0.36 0.13 0.00 1.82 0.11 -1.78 -1.03 132.00 131.60 2jlr h PRO 395 Ca 0.39 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 2jlr h PRO 395 Cb 0.60 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2jlr h PRO 395 CO -0.42 0.08 -0.23 0.87 -0.21 0.00 0.00 178.00 178.09 2jlr h LYS 396 N 0.13 0.00 0.00 1.05 1.57 -1.22 -2.33 116.57 115.78 2jlr h LYS 396 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2jlr h LYS 396 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2jlr h LYS 396 CO -0.04 0.23 0.00 1.79 -0.57 0.00 0.00 179.45 180.86 2jlr h THR 397 N 0.00 0.00 0.00 -0.16 1.35 -1.22 -2.91 112.91 109.97 2jlr h THR 397 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2jlr h THR 397 Cb 0.56 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2jlr h THR 397 CO 0.03 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 2jlr n LYS 398 N -2.85 0.13 -2.06 4.72 5.02 -0.88 -4.66 118.16 117.59 2jlr n LYS 398 Ca 0.02 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 2jlr n LYS 398 Cb 0.34 -1.75 0.17 0.00 -0.02 0.00 0.00 35.03 33.77 2jlr n LYS 398 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jlr s LEU 399 N -3.99 2.76 0.00 -0.35 1.43 -1.10 -5.00 118.68 112.42 2jlr s LEU 399 Ca 0.05 0.17 0.19 0.00 -1.03 0.00 0.00 54.13 53.51 2jlr s LEU 399 Cb 0.09 -2.29 0.41 0.00 0.03 0.00 0.00 46.19 44.44 2jlr s LEU 399 CO 0.35 -2.53 1.34 0.35 0.23 0.00 0.00 176.35 176.08 2jlr n THR 400 N -3.57 0.69 -0.03 5.49 -2.24 -1.26 -4.70 114.28 108.65 2jlr n THR 400 Ca 0.15 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 61.00 2jlr n THR 400 Cb 0.60 0.78 0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2jlr n THR 400 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jlr n ASP 401 N 1.21 4.20 -3.85 3.42 2.03 -1.26 -4.82 116.55 117.47 2jlr n ASP 401 Ca 0.17 -2.59 -0.09 0.00 0.52 0.00 0.00 54.79 52.81 2jlr n ASP 401 Cb 0.53 -0.77 -0.07 0.00 -0.72 0.00 0.00 41.12 40.09 2jlr n ASP 401 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 2jlr s TRP 402 N -1.02 0.15 -0.06 -0.67 1.48 -1.26 -4.94 118.94 112.62 2jlr s TRP 402 Ca 0.17 -0.58 -0.00 0.00 -1.06 0.00 0.00 56.10 54.64 2jlr s TRP 402 Cb 0.14 -0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.36 2jlr s TRP 402 CO 0.02 -0.55 -0.06 -0.25 -4.06 0.00 0.00 176.95 172.06 2jlr n ASP 403 N -0.06 2.98 -4.17 -2.66 8.00 -0.35 -4.91 116.55 115.38 2jlr n ASP 403 Ca -0.15 -0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.08 2jlr n ASP 403 Cb 0.62 -0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.46 2jlr n ASP 403 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jlr s PHE 404 N -2.11 1.71 -0.22 1.24 0.08 -0.40 -1.66 117.98 116.61 2jlr s PHE 404 Ca -0.08 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.49 2jlr s PHE 404 Cb 0.02 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 2jlr s PHE 404 CO 0.13 -0.09 0.09 0.08 -0.10 0.00 0.00 175.22 175.33 2jlr s VAL 405 N -0.24 4.80 -0.36 -0.44 1.01 0.73 -1.41 120.40 124.49 2jlr s VAL 405 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2jlr s VAL 405 Cb -0.09 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.14 2jlr s VAL 405 CO 0.01 0.39 0.14 -0.69 0.00 0.00 0.00 175.10 174.95 2jlr s VAL 406 N 0.94 3.68 0.10 2.92 1.01 0.02 0.55 120.40 129.61 2jlr s VAL 406 Ca 0.05 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.71 2jlr s VAL 406 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2jlr s VAL 406 CO 0.03 -0.33 -0.20 0.28 0.00 0.00 0.00 175.10 174.88 2jlr s THR 407 N 1.34 1.63 0.30 3.92 -1.32 -0.12 -1.45 115.64 119.93 2jlr s THR 407 Ca 0.01 -1.50 -0.05 0.00 -1.21 0.00 0.00 61.69 58.93 2jlr s THR 407 Cb -0.21 -1.49 0.07 0.00 -1.51 0.00 0.00 72.50 69.36 2jlr s THR 407 CO 0.01 -0.08 0.40 0.35 -2.21 0.00 0.00 174.62 173.09 2jlr n THR 408 N 1.13 0.00 0.62 5.08 -2.24 -0.75 -0.62 114.28 117.50 2jlr n THR 408 Ca -0.20 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 2jlr n THR 408 Cb 0.54 -1.81 0.34 0.00 -2.10 0.00 0.00 70.33 67.30 2jlr n THR 408 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jlr n ASP 409 N -3.28 0.00 0.15 3.42 3.85 -1.26 -2.97 116.55 116.46 2jlr n ASP 409 Ca 0.05 0.18 0.15 0.00 -0.71 0.00 0.00 54.79 54.46 2jlr n ASP 409 Cb 0.17 -0.34 0.71 0.00 -1.35 0.00 0.00 41.12 40.32 2jlr n ASP 409 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2jlr h ILE 410 N 0.00 0.76 0.00 2.12 6.09 -1.92 -1.03 117.51 123.53 2jlr h ILE 410 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2jlr h ILE 410 Cb 0.16 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.31 2jlr h ILE 410 CO 0.00 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 173.88 2jlr n SER 411 N -4.28 0.00 0.29 2.19 7.64 -1.16 -2.39 113.62 115.92 2jlr n SER 411 Ca 0.03 0.05 0.19 0.00 1.01 0.00 0.00 58.87 60.15 2jlr n SER 411 Cb 0.34 -0.33 0.84 0.00 -1.01 0.00 0.00 64.21 64.05 2jlr n SER 411 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jlr h GLU 412 N 0.00 0.00 -3.77 1.43 5.08 -1.44 -3.28 114.58 112.60 2jlr h GLU 412 Ca 0.00 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.58 2jlr h GLU 412 Cb 0.26 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.28 2jlr h GLU 412 CO 0.00 0.00 0.96 -1.33 -1.00 0.00 0.00 179.01 177.64 2jlr n MET 413 N -3.05 3.68 -1.10 2.33 2.81 -1.00 -4.69 117.12 116.09 2jlr n MET 413 Ca -0.00 -4.20 -0.03 0.00 -1.81 0.00 0.00 57.70 51.66 2jlr n MET 413 Cb 0.23 -2.73 -0.01 0.00 -0.71 0.00 0.00 33.22 30.00 2jlr n MET 413 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jlr n GLY 414 N 2.83 0.59 3.68 3.03 0.00 -1.26 -4.89 105.19 109.17 2jlr n GLY 414 Ca 0.30 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2jlr n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jlr s ALA 415 N -1.86 3.61 -0.30 4.61 0.00 -1.24 -4.99 121.76 121.58 2jlr s ALA 415 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 2jlr s ALA 415 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2jlr s ALA 415 CO 0.00 -1.05 0.21 -0.80 0.00 0.00 0.00 175.76 174.12 2jlr s ASN 416 N 2.22 6.04 0.10 0.00 0.01 -1.26 -4.93 114.94 117.13 2jlr s ASN 416 Ca 0.66 -0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.78 2jlr s ASN 416 Cb -0.32 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2jlr s ASN 416 CO 0.26 -0.11 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.15 2jlr s PHE 417 N 1.75 2.39 -1.10 2.20 0.08 -1.26 -4.94 117.98 117.10 2jlr s PHE 417 Ca 0.07 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.68 2jlr s PHE 417 Cb -0.16 -1.32 0.27 0.00 -0.57 0.00 0.00 43.02 41.24 2jlr s PHE 417 CO 0.11 0.31 1.10 1.03 -0.10 0.00 0.00 175.22 177.67 2jlr s ARG 418 N -1.88 4.16 0.21 0.44 0.52 -1.26 -4.96 118.95 116.17 2jlr s ARG 418 Ca 0.15 -3.13 0.03 0.00 -0.52 0.00 0.00 55.73 52.25 2jlr s ARG 418 Cb -0.10 -4.57 -0.05 0.00 0.52 0.00 0.00 34.95 30.75 2jlr s ARG 418 CO 0.06 -1.27 -0.00 0.00 0.02 0.00 0.00 175.30 174.11 2jlr s ALA 419 N -1.03 1.66 -0.03 2.13 0.00 -1.26 -4.85 121.76 118.38 2jlr s ALA 419 Ca 0.30 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.70 2jlr s ALA 419 Cb -0.10 0.50 -0.22 0.00 0.00 0.00 0.00 23.12 23.30 2jlr s ALA 419 CO -0.08 -0.27 0.29 0.41 0.00 0.00 0.00 175.76 176.12 2jlr n GLY 420 N -0.36 -0.66 2.87 0.00 0.00 -0.57 -4.78 105.19 101.70 2jlr n GLY 420 Ca -0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2jlr n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jlr s ARG 421 N -2.94 0.00 -0.11 1.61 3.52 -0.95 -0.05 118.95 120.03 2jlr s ARG 421 Ca -0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.55 2jlr s ARG 421 Cb 0.09 -0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.45 2jlr s ARG 421 CO 0.59 -0.00 -0.10 0.08 -0.81 0.00 0.00 175.30 175.06 2jlr s VAL 422 N 0.02 3.35 -0.18 7.11 1.01 -0.04 -0.97 120.40 130.70 2jlr s VAL 422 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2jlr s VAL 422 Cb -0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2jlr s VAL 422 CO -0.00 0.54 0.00 -0.63 0.00 0.00 0.00 175.10 175.01 2jlr s ILE 423 N -0.00 4.16 -0.35 2.22 1.01 -0.24 -0.34 121.20 127.67 2jlr s ILE 423 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.40 2jlr s ILE 423 Cb -0.14 -2.86 0.15 0.00 0.01 0.00 0.00 42.46 39.63 2jlr s ILE 423 CO 0.04 0.46 0.38 -0.62 0.00 0.00 0.00 174.94 175.20 2jlr s ASP 424 N 0.57 1.02 0.00 3.58 2.15 0.54 -1.37 116.67 123.15 2jlr s ASP 424 Ca -0.01 -1.27 0.09 0.00 0.43 0.00 0.00 52.55 51.79 2jlr s ASP 424 Cb -0.14 0.69 0.51 0.00 -0.30 0.00 0.00 42.92 43.68 2jlr s ASP 424 CO 0.02 -0.29 1.06 -0.81 -0.17 0.00 0.00 175.17 174.98 2jlr n PRO 425 N 4.55 0.66 -3.71 4.34 -0.04 -1.26 -2.28 135.00 137.25 2jlr n PRO 425 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2jlr n PRO 425 Cb 0.46 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2jlr n PRO 425 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jlr n ARG 426 N -0.70 -5.05 -4.56 0.54 1.74 -1.26 -4.63 116.66 102.74 2jlr n ARG 426 Ca 0.06 0.63 -0.24 0.00 -0.77 0.00 0.00 57.85 57.53 2jlr n ARG 426 Cb 0.03 -5.23 -0.14 0.00 -1.02 0.00 0.00 32.46 26.10 2jlr n ARG 426 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jlr s ARG 427 N -6.03 1.24 0.07 5.56 3.00 -1.26 -1.84 118.95 119.68 2jlr s ARG 427 Ca 0.08 -0.85 -0.08 0.00 0.00 0.00 0.00 55.73 54.87 2jlr s ARG 427 Cb -0.04 -1.30 -0.00 0.00 0.00 0.00 0.00 34.95 33.61 2jlr s ARG 427 CO 0.81 0.33 0.17 0.00 0.00 0.00 0.00 175.30 176.62 2jlr s LEU 429 N -2.66 4.36 -0.14 0.00 1.43 -1.21 -0.60 118.68 119.86 2jlr s LEU 429 Ca 0.02 1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2jlr s LEU 429 Cb 0.04 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 43.04 2jlr s LEU 429 CO -0.09 0.12 -0.05 -0.75 0.23 0.00 0.00 176.35 175.80 2jlr s LYS 430 N -1.87 1.33 0.16 1.70 2.20 -0.47 -4.94 119.74 117.85 2jlr s LYS 430 Ca 0.37 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.33 2jlr s LYS 430 Cb -0.16 -1.75 -0.09 0.00 -1.51 0.00 0.00 37.83 34.33 2jlr s LYS 430 CO 0.19 -0.37 1.44 -1.25 -0.36 0.00 0.00 175.35 175.00 2jlr s PRO 431 N 1.71 4.29 -0.05 4.03 0.04 -1.26 -0.45 135.00 143.31 2jlr s PRO 431 Ca 0.03 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2jlr s PRO 431 Cb -0.14 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2jlr s PRO 431 CO -0.08 -0.46 -0.08 0.08 0.04 0.00 0.00 177.00 176.50 2jlr s VAL 432 N 0.80 0.78 -0.51 -0.36 1.01 -0.06 -0.19 120.40 121.88 2jlr s VAL 432 Ca 0.64 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 2jlr s VAL 432 Cb -0.40 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2jlr s VAL 432 CO 0.34 0.28 1.11 -0.63 0.00 0.00 0.00 175.10 176.19 2jlr s ILE 433 N 0.79 4.20 0.25 2.22 1.01 -1.26 -1.40 121.20 127.01 2jlr s ILE 433 Ca -0.13 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 2jlr s ILE 433 Cb -0.15 -4.61 -0.09 0.00 0.01 0.00 0.00 42.46 37.62 2jlr s ILE 433 CO 0.02 -1.09 0.98 -0.76 0.00 0.00 0.00 174.94 174.09 2jlr s LEU 434 N 4.46 4.62 0.00 2.97 1.43 0.26 -4.95 118.68 127.47 2jlr s LEU 434 Ca 0.44 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2jlr s LEU 434 Cb -0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2jlr s LEU 434 CO 0.29 0.07 0.62 0.35 0.23 0.00 0.00 176.35 177.91 2jlr n THR 435 N 1.46 0.38 -2.38 5.49 -2.24 -1.26 -2.86 114.28 112.87 2jlr n THR 435 Ca -0.02 -0.55 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 2jlr n THR 435 Cb 0.46 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 2jlr n THR 435 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2jlr s ASP 436 N -0.38 5.96 0.05 3.42 3.84 -1.26 -4.80 116.67 123.49 2jlr s ASP 436 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 52.55 51.82 2jlr s ASP 436 Cb 0.00 -2.56 0.00 0.00 -1.38 0.00 0.00 42.92 38.98 2jlr s ASP 436 CO 0.00 -1.97 0.00 0.61 -0.00 0.00 0.00 175.17 173.81 2jlr n GLY 437 N 6.24 0.42 3.67 2.12 0.00 -1.26 -4.87 105.19 111.51 2jlr n GLY 437 Ca 0.23 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2jlr n GLY 437 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jlr s PRO 438 N 0.00 4.14 0.09 1.61 0.04 -1.26 -4.91 135.00 134.72 2jlr s PRO 438 Ca 0.00 2.60 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 2jlr s PRO 438 Cb 0.00 -4.04 -0.07 0.00 0.04 0.00 0.00 34.50 30.43 2jlr s PRO 438 CO 0.00 -0.93 1.32 -2.00 0.04 0.00 0.00 177.00 175.44 2jlr s GLU 439 N 4.10 4.36 0.09 4.56 2.12 -1.26 -4.82 118.70 127.85 2jlr s GLU 439 Ca 0.86 1.96 -0.11 0.00 0.36 0.00 0.00 54.97 58.05 2jlr s GLU 439 Cb -0.43 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.67 2jlr s GLU 439 CO 0.40 -0.38 0.25 -0.98 -0.54 0.00 0.00 175.26 174.01 2jlr s ARG 440 N 1.16 0.89 -0.27 4.30 1.70 -1.13 -4.64 118.95 120.95 2jlr s ARG 440 Ca 0.63 -0.84 -0.09 0.00 -0.47 0.00 0.00 55.73 54.96 2jlr s ARG 440 Cb -0.34 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2jlr s ARG 440 CO 0.30 -0.30 0.12 0.08 -1.08 0.00 0.00 175.30 174.42 2jlr s VAL 441 N -3.65 4.70 0.26 4.99 1.01 -0.75 -0.58 120.40 126.38 2jlr s VAL 441 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2jlr s VAL 441 Cb 0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jlr s VAL 441 CO -0.10 0.27 0.30 0.27 0.00 0.00 0.00 175.10 175.83 2jlr s ILE 442 N 1.67 4.72 -0.48 2.22 -4.36 -0.49 -0.95 121.20 123.52 2jlr s ILE 442 Ca 0.06 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.14 2jlr s ILE 442 Cb -0.16 -3.59 0.10 0.00 1.25 0.00 0.00 42.46 40.06 2jlr s ILE 442 CO 0.07 -0.31 0.38 -0.76 0.24 0.00 0.00 174.94 174.56 2jlr s LEU 443 N -3.94 5.70 0.29 0.37 1.43 -1.26 -0.88 118.68 120.38 2jlr s LEU 443 Ca 0.35 -1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 51.58 2jlr s LEU 443 Cb -0.08 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2jlr s LEU 443 CO 0.27 -0.69 0.88 0.00 0.23 0.00 0.00 176.35 177.04 2jlr s ALA 444 N 1.52 3.27 0.00 4.21 0.00 0.40 -4.80 121.76 126.36 2jlr s ALA 444 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2jlr s ALA 444 Cb -0.26 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2jlr s ALA 444 CO 0.03 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2jlr n GLY 445 N 0.62 0.50 3.69 0.00 0.00 -1.26 -1.37 105.19 107.35 2jlr n GLY 445 Ca 0.01 -2.29 -0.44 0.00 0.00 0.00 0.00 46.02 43.30 2jlr n GLY 445 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jlr n PRO 446 N 0.00 2.17 -4.49 1.61 -0.02 -1.26 -5.03 135.00 127.98 2jlr n PRO 446 Ca 0.00 0.77 -0.26 0.00 -2.02 0.00 0.00 63.50 61.99 2jlr n PRO 446 Cb 0.00 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 30.95 2jlr n PRO 446 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2jlr s ILE 447 N -0.23 2.35 0.44 4.25 -4.36 0.24 -4.89 121.20 119.00 2jlr s ILE 447 Ca 0.65 -2.15 -0.26 0.00 -0.26 0.00 0.00 60.65 58.64 2jlr s ILE 447 Cb -0.61 -2.68 -0.09 0.00 1.25 0.00 0.00 42.46 40.33 2jlr s ILE 447 CO 0.52 -0.20 1.42 -2.84 0.24 0.00 0.00 174.94 174.08 2jlr s PRO 448 N -3.64 3.74 0.78 0.37 0.02 -1.26 -0.45 135.00 134.56 2jlr s PRO 448 Ca 0.33 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 2jlr s PRO 448 Cb 0.02 -2.69 0.06 0.00 0.02 0.00 0.00 34.50 31.90 2jlr s PRO 448 CO 0.17 -0.77 1.08 0.14 -0.33 0.00 0.00 177.00 177.30 2jlr s VAL 449 N -1.20 3.33 0.77 3.83 -7.23 -0.77 -4.41 120.40 114.72 2jlr s VAL 449 Ca 0.60 0.43 -0.14 0.00 -1.81 0.00 0.00 61.98 61.06 2jlr s VAL 449 Cb -0.44 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.44 2jlr s VAL 449 CO 0.56 -0.56 1.20 -0.89 -0.31 0.00 0.00 175.10 175.10 2jlr s THR 450 N -3.08 2.21 0.31 5.32 2.01 -1.24 -0.35 115.64 120.82 2jlr s THR 450 Ca 0.60 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.73 2jlr s THR 450 Cb -0.15 -2.59 0.29 0.00 0.01 0.00 0.00 72.50 70.05 2jlr s THR 450 CO 0.55 -0.06 1.90 -0.65 -0.69 0.00 0.00 174.62 175.66 2jlr h PRO 451 N -0.59 0.92 -0.49 4.92 0.11 -1.80 -1.66 132.00 133.40 2jlr h PRO 451 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jlr h PRO 451 Cb 1.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2jlr h PRO 451 CO 0.48 0.61 0.31 0.00 -0.21 0.00 0.00 178.00 179.19 2jlr h ALA 452 N 1.54 0.62 -0.36 -0.75 0.00 -1.89 -0.59 119.26 117.84 2jlr h ALA 452 Ca 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2jlr h ALA 452 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jlr h ALA 452 CO -0.17 0.09 0.15 1.03 0.00 0.00 0.00 179.25 180.35 2jlr h SER 453 N 0.66 0.48 -0.71 0.00 0.87 -1.85 -1.41 113.55 111.59 2jlr h SER 453 Ca 0.18 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2jlr h SER 453 Cb -0.04 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2jlr h SER 453 CO -0.04 0.51 0.42 0.00 -0.53 0.00 0.00 176.83 177.19 2jlr h ALA 454 N 1.00 0.90 -0.72 6.23 0.00 -1.09 0.58 119.26 126.17 2jlr h ALA 454 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jlr h ALA 454 Cb 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jlr h ALA 454 CO -0.01 0.39 0.36 0.00 0.00 0.00 0.00 179.25 179.99 2jlr h ALA 455 N 1.22 0.92 -0.24 0.00 0.00 -1.03 -0.87 119.26 119.26 2jlr h ALA 455 Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2jlr h ALA 455 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jlr h ALA 455 CO -0.05 0.47 -0.30 1.96 0.00 0.00 0.00 179.25 181.34 2jlr h GLN 456 N 1.00 0.48 0.09 0.00 1.08 -0.71 0.11 115.11 117.15 2jlr h GLN 456 Ca 0.25 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2jlr h GLN 456 Cb 0.09 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2jlr h GLN 456 CO -0.03 0.73 -0.04 0.00 -0.95 0.00 0.00 178.83 178.53 2jlr h ARG 457 N 0.42 -0.12 -0.97 1.46 3.08 -0.75 -2.95 114.38 114.56 2jlr h ARG 457 Ca 0.05 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.32 2jlr h ARG 457 Cb 0.73 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.72 2jlr h ARG 457 CO 0.06 0.32 0.62 -0.09 -1.07 0.00 0.00 179.97 179.80 2jlr h ARG 458 N -0.61 0.55 0.00 0.04 2.43 -1.15 -2.59 114.38 113.05 2jlr h ARG 458 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jlr h ARG 458 Cb 0.49 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2jlr h ARG 458 CO 0.02 0.36 0.00 0.41 -1.51 0.00 0.00 179.97 179.25 2jlr n GLY 459 N -1.43 -0.86 0.26 2.80 0.00 0.36 -2.30 105.19 104.02 2jlr n GLY 459 Ca 0.22 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2jlr n GLY 459 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jlr h ARG 460 N 0.00 0.00 -5.34 1.61 2.47 -1.45 -3.44 114.38 108.22 2jlr h ARG 460 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 2jlr h ARG 460 Cb 0.11 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.30 2jlr h ARG 460 CO 0.00 0.12 -0.54 0.96 0.56 0.00 0.00 179.97 181.06 2jlr s ILE 461 N -3.85 1.42 -1.01 2.04 -5.25 -0.97 -4.61 121.20 108.96 2jlr s ILE 461 Ca -0.01 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.65 2jlr s ILE 461 Cb 0.11 -2.44 0.00 0.00 2.95 0.00 0.00 42.46 43.08 2jlr s ILE 461 CO 0.58 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.34 2jlr n GLY 462 N -1.16 0.08 0.09 6.27 0.00 -1.26 -4.93 105.19 104.28 2jlr n GLY 462 Ca -0.14 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2jlr n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jlr n ARG 463 N -2.18 0.62 -3.61 1.61 5.12 -1.26 -1.82 116.66 115.15 2jlr n ARG 463 Ca -0.13 0.11 -0.40 0.00 -1.93 0.00 0.00 57.85 55.50 2jlr n ARG 463 Cb 0.57 -1.76 -0.11 0.00 -1.16 0.00 0.00 32.46 30.00 2jlr n ARG 463 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2jlr s ASN 464 N -5.43 5.70 0.60 0.55 3.84 -1.26 -4.76 114.94 114.19 2jlr s ASN 464 Ca -0.03 -1.06 0.28 0.00 0.21 0.00 0.00 52.86 52.27 2jlr s ASN 464 Cb 0.10 -2.01 1.45 0.00 -0.55 0.00 0.00 41.25 40.24 2jlr s ASN 464 CO 0.82 -0.40 1.86 -0.65 -2.79 0.00 0.00 177.10 175.93 2jlr h PRO 465 N 8.42 0.00 -0.00 0.43 0.11 -1.88 0.10 132.00 139.19 2jlr h PRO 465 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jlr h PRO 465 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jlr h PRO 465 CO 0.67 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.19 2jlr n ALA 466 N -2.25 3.00 -3.90 -0.75 0.00 -1.26 -4.76 120.51 110.60 2jlr n ALA 466 Ca 0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2jlr n ALA 466 Cb 0.66 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 2jlr n ALA 466 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jlr s GLN 467 N -2.96 1.37 -0.00 0.00 0.74 0.36 -5.01 119.66 114.16 2jlr s GLN 467 Ca 0.13 -1.05 0.13 0.00 0.05 0.00 0.00 55.36 54.62 2jlr s GLN 467 Cb 0.18 -2.52 -0.15 0.00 1.10 0.00 0.00 33.01 31.62 2jlr s GLN 467 CO 0.62 -0.70 0.51 0.39 -0.55 0.00 0.00 175.29 175.55 2jlr n GLU 468 N 4.69 2.49 -1.96 1.67 1.02 -1.26 -4.48 120.64 122.81 2jlr n GLU 468 Ca -0.08 -0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.79 2jlr n GLU 468 Cb 0.44 -1.13 0.03 0.00 -0.02 0.00 0.00 31.44 30.76 2jlr n GLU 468 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2jlr n ASP 469 N -1.39 5.26 -4.75 1.62 5.68 -1.26 -4.39 116.55 117.32 2jlr n ASP 469 Ca 0.02 -3.75 -0.36 0.00 -0.50 0.00 0.00 54.79 50.19 2jlr n ASP 469 Cb 0.22 -0.42 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 2jlr n ASP 469 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2jlr s ASP 470 N -3.38 5.07 -0.04 -1.12 1.11 -1.26 -4.87 116.67 112.19 2jlr s ASP 470 Ca 0.53 2.49 0.07 0.00 0.18 0.00 0.00 52.55 55.81 2jlr s ASP 470 Cb 0.42 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.79 2jlr s ASP 470 CO 0.02 -1.68 -0.25 -1.10 1.18 0.00 0.00 175.17 173.34 2jlr s GLN 471 N -3.28 2.25 -0.35 8.23 -0.21 0.93 -1.27 119.66 125.96 2jlr s GLN 471 Ca 0.78 -0.90 -0.03 0.00 0.02 0.00 0.00 55.36 55.23 2jlr s GLN 471 Cb -0.33 -2.05 0.07 0.00 1.00 0.00 0.00 33.01 31.70 2jlr s GLN 471 CO 0.36 0.47 0.10 -0.47 -2.12 0.00 0.00 175.29 173.63 2jlr s TYR 472 N -0.40 3.39 -0.25 0.91 5.04 0.21 -0.86 117.35 125.40 2jlr s TYR 472 Ca 0.04 -2.01 -0.10 0.00 -2.44 0.00 0.00 57.07 52.56 2jlr s TYR 472 Cb -0.11 -2.59 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 2jlr s TYR 472 CO 0.01 -0.86 0.14 0.08 -1.34 0.00 0.00 175.55 173.58 2jlr s VAL 473 N 1.23 5.03 0.23 3.14 1.01 0.54 -0.25 120.40 131.35 2jlr s VAL 473 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2jlr s VAL 473 Cb -0.21 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2jlr s VAL 473 CO -0.02 0.33 0.22 0.72 0.00 0.00 0.00 175.10 176.36 2jlr s PHE 474 N 1.29 1.10 -0.23 5.22 -0.71 -0.03 -0.34 117.98 124.27 2jlr s PHE 474 Ca 0.06 -1.30 -0.12 0.00 -1.04 0.00 0.00 56.93 54.53 2jlr s PHE 474 Cb -0.14 -0.43 0.07 0.00 -1.21 0.00 0.00 43.02 41.31 2jlr s PHE 474 CO 0.06 -0.75 0.55 0.45 -1.34 0.00 0.00 175.22 174.19 2jlr s SER 475 N -3.17 -0.74 0.00 1.98 0.15 -0.97 -1.34 113.70 109.62 2jlr s SER 475 Ca 0.36 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2jlr s SER 475 Cb 0.05 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2jlr s SER 475 CO 0.14 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2jlr n GLY 476 N 4.38 -0.75 3.93 9.45 0.00 -1.26 -4.13 105.19 116.81 2jlr n GLY 476 Ca -0.21 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2jlr n GLY 476 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jlr s ASP 477 N -2.56 6.37 0.90 1.61 -0.00 -1.26 -4.97 116.67 116.76 2jlr s ASP 477 Ca 0.00 0.33 -0.11 0.00 -0.00 0.00 0.00 52.55 52.77 2jlr s ASP 477 Cb 0.00 -1.98 0.13 0.00 -0.00 0.00 0.00 42.92 41.07 2jlr s ASP 477 CO 0.00 -0.02 1.09 -2.84 -0.00 0.00 0.00 175.17 173.41 2jlr s PRO 478 N -3.31 1.21 -0.16 8.23 0.02 -1.26 -4.75 135.00 134.99 2jlr s PRO 478 Ca 0.37 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.36 2jlr s PRO 478 Cb -0.11 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.65 2jlr s PRO 478 CO 0.29 -2.31 -0.11 -1.17 -0.33 0.00 0.00 177.00 173.36 2jlr s LEU 479 N -6.30 1.72 0.17 -5.54 0.20 0.52 -4.91 118.68 104.54 2jlr s LEU 479 Ca 0.64 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.89 2jlr s LEU 479 Cb -0.19 -1.11 0.02 0.00 -0.43 0.00 0.00 46.19 44.48 2jlr s LEU 479 CO 0.58 -0.10 1.39 0.08 -0.29 0.00 0.00 176.35 178.01 2jlr h ARG 480 N 8.06 0.34 -6.11 1.98 0.11 -1.94 -3.30 114.38 113.52 2jlr h ARG 480 Ca -0.33 -0.32 -0.51 0.00 0.10 0.00 0.00 59.98 58.92 2jlr h ARG 480 Cb 1.12 0.08 -0.06 0.00 1.11 0.00 0.00 29.97 32.23 2jlr h ARG 480 CO 0.48 0.99 1.21 1.21 0.10 0.00 0.00 179.97 183.96 2jlr s ASN 481 N -6.98 5.66 -0.34 0.08 3.04 -1.26 -4.81 114.94 110.33 2jlr s ASN 481 Ca -0.05 -0.13 0.07 0.00 0.04 0.00 0.00 52.86 52.79 2jlr s ASN 481 Cb 0.10 -2.55 0.47 0.00 -1.54 0.00 0.00 41.25 37.74 2jlr s ASN 481 CO 0.84 -2.15 1.41 -0.90 -3.04 0.00 0.00 177.10 173.25 2jlr n ASP 482 N 11.36 4.08 0.25 -4.21 5.75 -1.26 -4.80 116.55 127.72 2jlr n ASP 482 Ca 0.16 -3.79 0.14 0.00 -0.01 0.00 0.00 54.79 51.29 2jlr n ASP 482 Cb 0.50 -0.55 0.55 0.00 -1.03 0.00 0.00 41.12 40.59 2jlr n ASP 482 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2jlr h GLU 483 N 1.61 0.00 -0.13 0.11 5.08 -1.88 -2.49 114.58 116.89 2jlr h GLU 483 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2jlr h GLU 483 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2jlr h GLU 483 CO 0.66 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 2jlr n ASP 484 N -3.18 2.22 -4.72 1.42 5.75 -1.26 -4.65 116.55 112.13 2jlr n ASP 484 Ca 0.01 -1.76 -0.42 0.00 -0.01 0.00 0.00 54.79 52.61 2jlr n ASP 484 Cb 0.38 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 2jlr n ASP 484 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2jlr n HIS 485 N 0.71 2.77 0.20 2.11 -0.00 -0.94 -4.40 115.22 115.66 2jlr n HIS 485 Ca 0.17 0.06 0.15 0.00 0.46 0.00 0.00 57.72 58.56 2jlr n HIS 485 Cb 0.45 -2.67 0.77 0.00 -0.12 0.00 0.00 29.99 28.41 2jlr n HIS 485 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jlr h ALA 486 N 6.57 1.94 0.00 1.57 0.00 -0.93 -2.95 119.26 125.47 2jlr h ALA 486 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2jlr h ALA 486 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jlr h ALA 486 CO 0.94 -0.23 -0.06 0.45 0.00 0.00 0.00 179.25 180.35 2jlr h HIS 487 N 0.00 0.00 -0.13 0.00 3.86 -1.89 -0.98 115.15 116.00 2jlr h HIS 487 Ca 0.08 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 2jlr h HIS 487 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2jlr h HIS 487 CO 0.00 0.06 -0.25 -1.49 0.86 0.00 0.00 177.93 177.11 2jlr h TRP 488 N 0.00 0.51 -0.54 2.45 -0.00 -1.86 -1.58 115.95 114.93 2jlr h TRP 488 Ca -0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.89 58.68 2jlr h TRP 488 Cb 0.21 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 2jlr h TRP 488 CO 0.00 0.87 0.23 1.15 -0.00 0.00 0.00 178.44 180.69 2jlr h THR 489 N 0.01 1.21 -0.44 1.49 2.02 -1.61 -3.04 112.91 112.56 2jlr h THR 489 Ca 0.01 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 2jlr h THR 489 Cb 0.84 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2jlr h THR 489 CO 0.06 0.25 -0.09 -0.33 0.37 0.00 0.00 175.52 175.77 2jlr h GLU 490 N 0.73 0.78 -0.86 6.66 5.08 -1.17 -1.25 114.58 124.54 2jlr h GLU 490 Ca 0.18 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2jlr h GLU 490 Cb 0.17 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2jlr h GLU 490 CO -0.02 0.85 0.57 0.00 -1.00 0.00 0.00 179.01 179.41 2jlr h ALA 491 N 1.18 1.42 -0.31 3.43 0.00 -1.29 -2.04 119.26 121.65 2jlr h ALA 491 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2jlr h ALA 491 Cb 0.57 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jlr h ALA 491 CO 0.03 0.52 -0.38 0.87 0.00 0.00 0.00 179.25 180.30 2jlr h LYS 492 N 1.13 0.73 -0.61 0.00 1.57 -1.23 -0.71 116.57 117.44 2jlr h LYS 492 Ca 0.33 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2jlr h LYS 492 Cb -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 2jlr h LYS 492 CO -0.08 0.98 0.36 0.52 -0.57 0.00 0.00 179.45 180.65 2jlr h MET 493 N 0.60 0.66 0.07 3.15 2.86 -0.81 0.13 114.93 121.60 2jlr h MET 493 Ca 0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2jlr h MET 493 Cb 0.91 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2jlr h MET 493 CO 0.08 0.44 -0.04 -0.07 1.06 0.00 0.00 176.91 178.38 2jlr h LEU 494 N 0.68 -0.09 -0.78 1.22 3.38 -1.24 -3.30 115.31 115.19 2jlr h LEU 494 Ca 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jlr h LEU 494 Cb 0.10 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2jlr h LEU 494 CO -0.14 0.14 0.34 -0.07 0.09 0.00 0.00 178.44 178.81 2jlr h LEU 495 N -0.31 1.05 -0.88 1.67 3.38 -0.87 -1.50 115.31 117.84 2jlr h LEU 495 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jlr h LEU 495 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jlr h LEU 495 CO 0.02 0.91 0.00 0.47 0.09 0.00 0.00 178.44 179.93 2jlr n ASP 496 N -4.33 0.38 -0.25 -0.43 8.00 0.42 -1.77 116.55 118.57 2jlr n ASP 496 Ca 0.07 0.66 0.02 0.00 0.71 0.00 0.00 54.79 56.26 2jlr n ASP 496 Cb 0.16 -0.72 0.05 0.00 -0.02 0.00 0.00 41.12 40.59 2jlr n ASP 496 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jlr n ASN 497 N -2.00 1.96 -4.68 -2.24 3.02 -0.59 -4.16 115.26 106.57 2jlr n ASN 497 Ca -0.00 -1.64 -0.37 0.00 -0.03 0.00 0.00 54.58 52.53 2jlr n ASN 497 Cb 0.05 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 2jlr n ASN 497 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jlr s ILE 498 N -0.73 5.25 0.20 2.41 1.01 -0.73 -4.85 121.20 123.76 2jlr s ILE 498 Ca 0.08 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.02 2jlr s ILE 498 Cb 0.05 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2jlr s ILE 498 CO 0.07 0.29 0.85 -0.31 0.00 0.00 0.00 174.94 175.84 2jlr s TYR 499 N 1.12 3.94 0.23 3.97 1.51 -1.26 -4.96 117.35 121.90 2jlr s TYR 499 Ca 0.16 1.76 0.04 0.00 -1.01 0.00 0.00 57.07 58.02 2jlr s TYR 499 Cb -0.14 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.79 2jlr s TYR 499 CO 0.06 0.49 -0.01 0.95 -1.11 0.00 0.00 175.55 175.94 2jlr s THR 500 N -1.15 1.03 0.94 -0.71 -4.23 -1.26 -5.15 115.64 105.11 2jlr s THR 500 Ca 0.38 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.75 2jlr s THR 500 Cb -0.24 -2.32 0.16 0.00 1.34 0.00 0.00 72.50 71.44 2jlr s THR 500 CO 0.29 -0.34 1.13 -2.84 -0.54 0.00 0.00 174.62 172.31 2jlr s PRO 501 N -3.86 0.79 -0.19 3.99 0.02 -1.26 -4.88 135.00 129.61 2jlr s PRO 501 Ca 0.28 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 2jlr s PRO 501 Cb 0.06 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 2jlr s PRO 501 CO 0.08 -2.74 0.30 -2.00 -0.33 0.00 0.00 177.00 172.31 2jlr s GLU 502 N -4.64 4.20 -0.61 5.54 2.56 -1.26 -0.95 118.70 123.53 2jlr s GLU 502 Ca 0.67 0.06 0.06 0.00 0.00 0.00 0.00 54.97 55.76 2jlr s GLU 502 Cb -0.23 -3.48 0.26 0.00 2.00 0.00 0.00 34.13 32.68 2jlr s GLU 502 CO 0.59 0.11 0.76 0.41 -0.56 0.00 0.00 175.26 176.57 2jlr n GLY 503 N 3.73 4.78 3.67 -1.50 0.00 -1.26 -5.15 105.19 109.47 2jlr n GLY 503 Ca -0.11 -2.69 -0.42 0.00 0.00 0.00 0.00 46.02 42.80 2jlr n GLY 503 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jlr s ILE 504 N -2.64 4.82 -0.21 -0.61 -1.09 -0.13 -5.05 121.20 116.29 2jlr s ILE 504 Ca 0.41 1.79 -0.14 0.00 -2.23 0.00 0.00 60.65 60.48 2jlr s ILE 504 Cb 0.17 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2jlr s ILE 504 CO -0.03 -0.03 0.33 -0.63 -1.23 0.00 0.00 174.94 173.35 2jlr s ILE 505 N 2.39 5.24 0.33 2.92 1.01 -1.26 -4.72 121.20 127.11 2jlr s ILE 505 Ca 0.41 0.56 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 2jlr s ILE 505 Cb -0.16 -3.67 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 2jlr s ILE 505 CO 0.12 0.28 1.23 -0.81 0.00 0.00 0.00 174.94 175.76 2jlr n PRO 506 N 4.40 1.95 -3.62 2.79 -0.04 -1.26 -5.01 135.00 134.21 2jlr n PRO 506 Ca -0.10 0.68 -0.15 0.00 -0.04 0.00 0.00 63.50 63.89 2jlr n PRO 506 Cb 0.51 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 2jlr n PRO 506 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jlr s THR 507 N -1.06 0.00 0.76 0.52 -1.32 -1.26 -4.97 115.64 108.31 2jlr s THR 507 Ca 0.56 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.90 2jlr s THR 507 Cb -0.60 -0.90 0.05 0.00 -1.51 0.00 0.00 72.50 69.53 2jlr s THR 507 CO 0.61 -0.02 1.08 -0.76 -2.21 0.00 0.00 174.62 173.33 2jlr s LEU 508 N -0.27 3.04 0.01 9.08 1.43 -1.26 -4.32 118.68 126.39 2jlr s LEU 508 Ca -0.05 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 54.55 2jlr s LEU 508 Cb -0.03 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2jlr s LEU 508 CO 0.04 -1.90 0.86 0.12 0.23 0.00 0.00 176.35 175.70 2jlr s PHE 509 N -2.94 3.68 0.00 0.29 5.36 -1.26 -4.36 117.98 118.75 2jlr s PHE 509 Ca 0.60 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 58.13 2jlr s PHE 509 Cb -0.16 -2.96 0.00 0.00 -0.34 0.00 0.00 43.02 39.55 2jlr s PHE 509 CO 0.56 0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.84 2jlr n GLY 510 N 2.73 3.11 0.23 13.12 0.00 -1.26 -1.81 105.19 121.30 2jlr n GLY 510 Ca 0.02 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.10 2jlr n GLY 510 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jlr h PRO 511 N 0.00 0.00 0.00 1.61 0.11 -1.95 -2.06 132.00 129.72 2jlr h PRO 511 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jlr h PRO 511 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2jlr h PRO 511 CO 0.00 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 178.70 2jlr h GLU 512 N 0.00 0.00 0.00 1.05 5.08 -1.71 -0.92 114.58 118.08 2jlr h GLU 512 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jlr h GLU 512 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jlr h GLU 512 CO 0.00 0.02 0.00 -0.09 -1.00 0.00 0.00 179.01 177.94 2jlr h ARG 513 N 0.00 0.00 -0.23 2.33 2.43 -1.34 -3.02 114.38 114.55 2jlr h ARG 513 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jlr h ARG 513 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2jlr h ARG 513 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 2jlr n GLU 514 N -3.05 2.29 0.16 0.20 -0.58 -0.35 -4.42 120.64 114.88 2jlr n GLU 514 Ca -0.01 -2.06 -0.14 0.00 -0.42 0.00 0.00 57.16 54.54 2jlr n GLU 514 Cb 0.20 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 2jlr n GLU 514 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2jlr h LYS 515 N 4.28 -0.39 -5.72 3.49 1.79 -1.60 -3.46 116.57 114.97 2jlr h LYS 515 Ca 0.00 0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.93 2jlr h LYS 515 Cb 0.94 0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 31.54 2jlr h LYS 515 CO 0.00 -0.09 -0.67 0.95 -1.08 0.00 0.00 179.45 178.57 2jlr s THR 516 N -4.90 1.95 -0.13 -0.16 -4.23 -1.26 -4.83 115.64 102.09 2jlr s THR 516 Ca -0.15 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 57.92 2jlr s THR 516 Cb 0.03 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2jlr s THR 516 CO 0.57 -0.21 1.26 -1.58 -0.54 0.00 0.00 174.62 174.12 2jlr s GLN 517 N -3.68 4.26 0.16 3.99 2.00 -1.26 -4.97 119.66 120.17 2jlr s GLN 517 Ca 0.32 1.69 -0.30 0.00 -2.00 0.00 0.00 55.36 55.06 2jlr s GLN 517 Cb 0.04 -3.71 -0.08 0.00 0.80 0.00 0.00 33.01 30.06 2jlr s GLN 517 CO 0.15 -0.64 1.23 0.00 -0.50 0.00 0.00 175.29 175.54 2jlr s ALA 518 N 3.13 3.46 -0.19 1.58 0.00 -1.26 -5.03 121.76 123.44 2jlr s ALA 518 Ca 0.56 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2jlr s ALA 518 Cb -0.23 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2jlr s ALA 518 CO 0.17 -0.43 -0.08 0.42 0.00 0.00 0.00 175.76 175.84 2jlr s ILE 519 N 0.23 1.41 -0.08 0.00 1.01 -1.26 -5.10 121.20 117.41 2jlr s ILE 519 Ca 0.55 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 60.01 2jlr s ILE 519 Cb -0.33 -1.54 -0.11 0.00 0.01 0.00 0.00 42.46 40.49 2jlr s ILE 519 CO 0.35 0.13 1.95 0.47 0.00 0.00 0.00 174.94 177.84 2jlr n ASP 520 N 4.76 3.55 -0.06 3.58 10.43 -1.26 -1.73 116.55 135.82 2jlr n ASP 520 Ca -0.13 0.87 -0.01 0.00 2.57 0.00 0.00 54.79 58.09 2jlr n ASP 520 Cb 0.47 -1.42 -0.00 0.00 1.84 0.00 0.00 41.12 42.01 2jlr n ASP 520 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2jlr n GLY 521 N 4.65 0.48 0.36 0.44 0.00 -1.26 -4.91 105.19 104.95 2jlr n GLY 521 Ca 0.23 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2jlr n GLY 521 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jlr h GLU 522 N 0.60 0.64 -0.16 1.61 4.81 -1.74 -2.65 114.58 117.70 2jlr h GLU 522 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jlr h GLU 522 Cb 0.12 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jlr h GLU 522 CO 0.02 0.43 0.00 1.19 -0.73 0.00 0.00 179.01 179.92 2jlr n PHE 523 N -4.49 0.21 -1.84 0.92 3.72 -1.26 -5.00 117.46 109.72 2jlr n PHE 523 Ca 0.12 -0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 2jlr n PHE 523 Cb 0.30 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2jlr n PHE 523 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2jlr s ARG 524 N -0.91 4.09 0.21 -1.08 3.52 -1.00 -4.70 118.95 119.08 2jlr s ARG 524 Ca 0.12 2.35 0.05 0.00 -0.13 0.00 0.00 55.73 58.12 2jlr s ARG 524 Cb 0.06 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 2jlr s ARG 524 CO 0.08 -0.98 0.23 -0.51 -0.81 0.00 0.00 175.30 173.31 2jlr s LEU 525 N 4.50 3.99 0.27 -0.88 1.43 -1.26 -5.06 118.68 121.66 2jlr s LEU 525 Ca 0.82 -0.10 0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2jlr s LEU 525 Cb -0.37 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2jlr s LEU 525 CO 0.35 -0.00 -0.19 -0.54 0.23 0.00 0.00 176.35 176.20 2jlr s LYS 526 N -3.59 1.71 6.99 1.70 1.02 -1.26 -4.66 119.74 121.66 2jlr s LYS 526 Ca 0.33 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2jlr s LYS 526 Cb -0.09 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2jlr s LYS 526 CO 0.26 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 2jlr n GLY 527 N -0.56 3.60 0.12 -3.33 0.00 -1.26 -1.97 105.19 101.79 2jlr n GLY 527 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jlr n GLY 527 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jlr h GLU 528 N 0.00 0.00 -0.85 1.61 4.39 -1.99 -3.06 114.58 114.68 2jlr h GLU 528 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2jlr h GLU 528 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2jlr h GLU 528 CO 0.00 0.62 0.54 1.96 -1.16 0.00 0.00 179.01 180.97 2jlr h GLN 529 N 0.00 1.01 -0.13 2.33 4.20 -1.68 0.14 115.11 120.98 2jlr h GLN 529 Ca -0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2jlr h GLN 529 Cb 1.45 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 2jlr h GLN 529 CO 0.08 0.67 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.65 2jlr h ARG 530 N 1.04 0.35 -0.83 1.46 2.43 -1.43 -1.51 114.38 115.89 2jlr h ARG 530 Ca 0.35 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2jlr h ARG 530 Cb 0.05 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2jlr h ARG 530 CO -0.13 0.77 0.49 0.87 -1.51 0.00 0.00 179.97 180.46 2jlr h LYS 531 N -0.04 0.85 -0.43 0.20 1.57 -1.40 -1.91 116.57 115.40 2jlr h LYS 531 Ca 0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2jlr h LYS 531 Cb 0.72 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2jlr h LYS 531 CO 0.04 0.56 0.12 1.15 -0.57 0.00 0.00 179.45 180.75 2jlr h THR 532 N 0.87 1.23 -0.45 -0.16 2.02 -0.69 -2.03 112.91 113.71 2jlr h THR 532 Ca 0.38 -0.77 0.09 0.00 0.77 0.00 0.00 66.41 66.88 2jlr h THR 532 Cb 0.26 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 2jlr h THR 532 CO -0.21 0.27 -0.07 0.15 0.37 0.00 0.00 175.52 176.04 2jlr h PHE 533 N 0.55 -0.16 -0.74 3.16 3.57 -0.63 0.24 116.94 122.93 2jlr h PHE 533 Ca 0.14 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2jlr h PHE 533 Cb 0.29 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2jlr h PHE 533 CO 0.02 -0.16 0.29 0.28 -2.23 0.00 0.00 178.31 176.51 2jlr h VAL 534 N 0.04 1.25 -0.20 1.41 2.07 -1.25 -3.04 116.25 116.54 2jlr h VAL 534 Ca 0.22 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 2jlr h VAL 534 Cb 0.33 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jlr h VAL 534 CO -0.43 0.32 -0.44 -0.08 0.02 0.00 0.00 177.57 176.97 2jlr h GLU 535 N 1.07 0.49 -0.55 1.57 4.81 -0.56 -0.28 114.58 121.13 2jlr h GLU 535 Ca 0.25 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2jlr h GLU 535 Cb 0.22 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2jlr h GLU 535 CO -0.02 0.84 0.22 -0.07 -0.73 0.00 0.00 179.01 179.25 2jlr h LEU 536 N 0.40 0.71 0.08 1.64 3.38 -0.87 0.32 115.31 120.97 2jlr h LEU 536 Ca 0.03 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2jlr h LEU 536 Cb 0.93 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jlr h LEU 536 CO 0.08 0.64 -0.69 0.24 0.09 0.00 0.00 178.44 178.80 2jlr h MET 537 N 0.78 0.33 0.42 1.13 2.86 -1.41 -1.94 114.93 117.10 2jlr h MET 537 Ca 0.19 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2jlr h MET 537 Cb 0.15 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2jlr h MET 537 CO -0.02 1.17 -0.20 0.00 1.06 0.00 0.00 176.91 178.92 2jlr h ARG 538 N -0.29 -0.54 0.09 1.72 2.47 -0.91 -2.90 114.38 114.01 2jlr h ARG 538 Ca -0.11 0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.51 2jlr h ARG 538 Cb 1.48 0.12 0.01 0.00 -1.65 0.00 0.00 29.97 29.93 2jlr h ARG 538 CO 0.13 -0.36 -0.64 0.00 0.56 0.00 0.00 179.97 179.66 2jlr h ARG 539 N -1.05 0.19 -0.00 0.04 3.08 -0.57 -3.33 114.38 112.73 2jlr h ARG 539 Ca -0.06 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2jlr h ARG 539 Cb 0.43 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2jlr h ARG 539 CO 0.09 1.15 -0.05 0.41 -1.07 0.00 0.00 179.97 180.51 2jlr n GLY 540 N 1.65 -1.31 4.32 0.04 0.00 -1.05 -4.92 105.19 103.91 2jlr n GLY 540 Ca -0.15 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2jlr n GLY 540 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jlr n ASP 541 N -1.33 0.72 -4.89 1.61 5.68 -1.01 -4.93 116.55 112.40 2jlr n ASP 541 Ca 0.11 -1.26 -0.32 0.00 -0.50 0.00 0.00 54.79 52.82 2jlr n ASP 541 Cb 0.29 -1.66 -0.05 0.00 -1.14 0.00 0.00 41.12 38.56 2jlr n ASP 541 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2jlr s LEU 542 N -7.36 4.26 0.80 -2.12 1.43 -0.76 -5.00 118.68 109.92 2jlr s LEU 542 Ca 0.05 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.64 2jlr s LEU 542 Cb -0.03 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.86 2jlr s LEU 542 CO 1.00 0.04 0.71 -2.65 0.23 0.00 0.00 176.35 175.67 2jlr n PRO 543 N 0.07 0.15 0.02 1.29 -0.02 -1.26 -4.39 135.00 130.87 2jlr n PRO 543 Ca -0.02 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.45 2jlr n PRO 543 Cb 0.52 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 2jlr n PRO 543 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jlr h VAL 544 N -0.78 1.01 -0.53 -1.45 2.07 -1.98 -1.18 116.25 113.41 2jlr h VAL 544 Ca -0.45 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2jlr h VAL 544 Cb 1.32 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 2jlr h VAL 544 CO 0.42 0.01 0.32 -0.25 0.02 0.00 0.00 177.57 178.08 2jlr h TRP 545 N 0.06 0.59 -0.46 1.57 7.01 -1.92 -0.05 115.95 122.75 2jlr h TRP 545 Ca 0.02 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2jlr h TRP 545 Cb -0.01 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 2jlr h TRP 545 CO -0.08 0.33 0.18 1.25 -2.79 0.00 0.00 178.44 177.33 2jlr h LEU 546 N 0.62 0.64 -0.73 0.65 5.85 -1.87 -0.69 115.31 119.79 2jlr h LEU 546 Ca 0.22 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jlr h LEU 546 Cb 0.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2jlr h LEU 546 CO -0.10 0.64 0.44 0.28 -0.34 0.00 0.00 178.44 179.36 2jlr h SER 547 N 0.60 0.87 -0.41 1.25 0.02 -0.94 -1.65 113.55 113.29 2jlr h SER 547 Ca 0.15 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2jlr h SER 547 Cb 0.21 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2jlr h SER 547 CO -0.01 0.68 0.19 0.22 -1.14 0.00 0.00 176.83 176.77 2jlr h TYR 548 N 1.00 0.60 -0.27 3.45 3.20 -0.77 -0.49 116.97 123.67 2jlr h TYR 548 Ca 0.26 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2jlr h TYR 548 Cb -0.04 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 2jlr h TYR 548 CO -0.01 0.50 0.11 0.87 -1.64 0.00 0.00 178.16 177.99 2jlr h LYS 549 N 0.53 0.23 -0.32 1.82 1.79 -0.83 -1.14 116.57 118.65 2jlr h LYS 549 Ca 0.14 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.51 2jlr h LYS 549 Cb 0.13 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2jlr h LYS 549 CO -0.02 0.16 -0.13 0.28 -1.08 0.00 0.00 179.45 178.66 2jlr h VAL 550 N 0.24 1.29 -0.47 0.50 2.07 -1.24 -3.05 116.25 115.59 2jlr h VAL 550 Ca 0.12 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 2jlr h VAL 550 Cb 0.07 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jlr h VAL 550 CO -0.11 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.70 2jlr h ALA 551 N 0.77 0.79 -0.00 1.67 0.00 -0.96 -2.77 119.26 118.75 2jlr h ALA 551 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jlr h ALA 551 Cb 0.65 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jlr h ALA 551 CO 0.04 0.66 -0.01 -1.13 0.00 0.00 0.00 179.25 178.81 2jlr n SER 552 N -4.12 0.07 -0.55 0.00 3.41 -0.44 -2.14 113.62 109.85 2jlr n SER 552 Ca 0.01 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.30 2jlr n SER 552 Cb 0.43 -0.18 0.45 0.00 -0.26 0.00 0.00 64.21 64.65 2jlr n SER 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jlr n ALA 553 N -1.15 2.55 -1.00 7.33 0.00 -1.05 -4.93 120.51 122.25 2jlr n ALA 553 Ca 0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 2jlr n ALA 553 Cb 0.21 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 2jlr n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jlr n GLY 554 N 1.18 0.42 3.73 0.00 0.00 -0.91 -5.02 105.19 104.59 2jlr n GLY 554 Ca 0.18 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2jlr n GLY 554 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jlr s ILE 555 N -2.00 4.90 0.69 -0.61 1.01 -1.18 -5.05 121.20 118.95 2jlr s ILE 555 Ca 0.00 1.63 -0.13 0.00 0.00 0.00 0.00 60.65 62.15 2jlr s ILE 555 Cb 0.00 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2jlr s ILE 555 CO 0.00 0.27 1.09 -0.44 0.00 0.00 0.00 174.94 175.86 2jlr s SER 556 N 0.53 5.07 0.19 3.58 0.01 -1.26 -4.61 113.70 117.20 2jlr s SER 556 Ca 0.41 1.86 -0.12 0.00 1.31 0.00 0.00 55.95 59.41 2jlr s SER 556 Cb -0.19 -2.53 0.21 0.00 0.21 0.00 0.00 66.02 63.71 2jlr s SER 556 CO 0.22 -1.65 1.75 0.22 0.41 0.00 0.00 173.24 174.18 2jlr h TYR 557 N -0.36 0.33 -0.00 2.43 3.20 -1.96 -2.45 116.97 118.16 2jlr h TYR 557 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2jlr h TYR 557 Cb 1.23 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2jlr h TYR 557 CO 0.57 0.10 -0.05 1.63 -1.64 0.00 0.00 178.16 178.76 2jlr n LYS 558 N -5.01 0.76 -2.91 1.82 4.76 -1.26 -4.70 118.16 111.63 2jlr n LYS 558 Ca 0.06 -0.18 -0.43 0.00 -2.87 0.00 0.00 58.31 54.89 2jlr n LYS 558 Cb 0.22 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 2jlr n LYS 558 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jlr s ASP 559 N -2.37 6.32 -0.03 4.39 2.15 -0.92 -4.90 116.67 121.32 2jlr s ASP 559 Ca 0.33 -0.44 0.19 0.00 0.43 0.00 0.00 52.55 53.06 2jlr s ASP 559 Cb 0.21 -2.41 0.60 0.00 -0.30 0.00 0.00 42.92 41.02 2jlr s ASP 559 CO 0.44 -1.14 1.50 0.54 -0.17 0.00 0.00 175.17 176.34 2jlr n ARG 560 N 7.17 2.96 0.02 4.34 5.12 -1.26 -4.50 116.66 130.50 2jlr n ARG 560 Ca 0.00 -2.60 0.01 0.00 -1.93 0.00 0.00 57.85 53.33 2jlr n ARG 560 Cb 0.47 -1.58 0.35 0.00 -1.16 0.00 0.00 32.46 30.54 2jlr n ARG 560 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2jlr h GLU 561 N 3.79 0.49 -0.09 5.56 4.39 -1.93 -2.13 114.58 124.66 2jlr h GLU 561 Ca 0.00 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2jlr h GLU 561 Cb 1.04 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2jlr h GLU 561 CO 0.05 0.47 0.08 0.11 -1.16 0.00 0.00 179.01 178.56 2jlr h TRP 562 N 0.48 0.00 0.00 4.33 5.08 -1.97 -0.78 115.95 123.09 2jlr h TRP 562 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 2jlr h TRP 562 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 2jlr h TRP 562 CO 0.01 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 2jlr n PHE 564 N -1.76 0.00 -0.71 0.00 3.72 -0.30 -1.04 117.46 117.37 2jlr n PHE 564 Ca -0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 2jlr n PHE 564 Cb 0.03 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.79 2jlr n PHE 564 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jlr n THR 565 N -0.33 1.83 -1.28 4.37 -2.24 -1.05 -4.64 114.28 110.94 2jlr n THR 565 Ca 0.00 -1.58 -0.29 0.00 -2.27 0.00 0.00 64.05 59.92 2jlr n THR 565 Cb 0.05 0.01 0.17 0.00 -2.10 0.00 0.00 70.33 68.46 2jlr n THR 565 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jlr s GLY 566 N -1.62 1.57 0.86 3.38 0.00 0.19 -4.70 107.32 107.01 2jlr s GLY 566 Ca 0.35 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 2jlr s GLY 566 CO 0.11 0.15 1.11 -1.83 0.00 0.00 0.00 173.10 172.64 2jlr s GLU 567 N -5.10 1.53 0.34 2.90 -1.05 -1.26 -4.90 118.70 111.16 2jlr s GLU 567 Ca 0.65 0.54 0.05 0.00 -0.15 0.00 0.00 54.97 56.07 2jlr s GLU 567 Cb -0.17 -1.86 0.68 0.00 -0.44 0.00 0.00 34.13 32.34 2jlr s GLU 567 CO 0.56 -1.99 1.92 0.00 0.95 0.00 0.00 175.26 176.71 2jlr h ARG 568 N -1.35 0.81 0.00 -4.83 2.47 -1.98 0.10 114.38 109.61 2jlr h ARG 568 Ca -0.49 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 2jlr h ARG 568 Cb 1.30 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2jlr h ARG 568 CO 0.59 0.54 0.00 0.09 0.56 0.00 0.00 179.97 181.75 2jlr n ASN 569 N -4.50 0.00 -0.73 7.04 3.02 -1.26 -2.12 115.26 116.71 2jlr n ASN 569 Ca 0.13 0.45 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 2jlr n ASN 569 Cb 0.27 -0.47 0.33 0.00 -0.61 0.00 0.00 39.78 39.29 2jlr n ASN 569 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jlr n ASN 570 N -1.47 2.24 -4.70 6.41 4.13 0.35 -4.93 115.26 117.29 2jlr n ASN 570 Ca 0.04 -1.76 -0.42 0.00 1.68 0.00 0.00 54.58 54.13 2jlr n ASN 570 Cb 0.17 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 2jlr n ASN 570 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2jlr s GLN 571 N -1.89 4.16 -0.04 3.52 2.00 -0.90 -3.86 119.66 122.65 2jlr s GLN 571 Ca 0.34 2.51 -0.19 0.00 -2.00 0.00 0.00 55.36 56.02 2jlr s GLN 571 Cb 0.20 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 30.55 2jlr s GLN 571 CO 0.31 -0.76 0.53 0.42 -0.50 0.00 0.00 175.29 175.28 2jlr s ILE 572 N 2.13 5.01 -0.02 -2.34 1.01 -0.73 -5.02 121.20 121.25 2jlr s ILE 572 Ca 0.76 1.09 0.05 0.00 0.00 0.00 0.00 60.65 62.55 2jlr s ILE 572 Cb -0.45 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2jlr s ILE 572 CO 0.34 0.42 -0.14 -0.76 0.00 0.00 0.00 174.94 174.79 2jlr s LEU 573 N -0.13 2.75 -0.14 2.97 1.43 -1.26 -1.76 118.68 122.54 2jlr s LEU 573 Ca 0.28 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2jlr s LEU 573 Cb -0.17 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2jlr s LEU 573 CO 0.15 0.31 -0.09 -0.70 0.23 0.00 0.00 176.35 176.25 2jlr s GLU 574 N -1.02 1.74 -1.27 1.70 2.12 0.05 -4.80 118.70 117.22 2jlr s GLU 574 Ca 0.13 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 2jlr s GLU 574 Cb -0.11 -1.91 -0.00 0.00 0.26 0.00 0.00 34.13 32.37 2jlr s GLU 574 CO 0.03 -0.32 0.75 0.39 -0.54 0.00 0.00 175.26 175.57 2jlr n GLU 575 N 4.86 -4.90 0.00 4.30 1.02 -1.26 -2.29 120.64 122.37 2jlr n GLU 575 Ca -0.14 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2jlr n GLU 575 Cb 0.49 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 2jlr n GLU 575 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2jlr n ASN 576 N -3.06 0.00 -4.88 1.62 4.05 -1.26 -4.95 115.26 106.78 2jlr n ASN 576 Ca -0.28 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.43 2jlr n ASN 576 Cb 0.67 -0.23 -0.05 0.00 1.23 0.00 0.00 39.78 41.40 2jlr n ASN 576 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2jlr s MET 577 N 0.00 3.72 -0.10 1.20 -1.94 -0.97 -5.02 119.30 116.20 2jlr s MET 577 Ca 0.00 0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.79 2jlr s MET 577 Cb 0.00 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 2jlr s MET 577 CO 0.00 0.41 1.35 -1.21 -0.01 0.00 0.00 175.02 175.56 2jlr s GLU 578 N -2.66 4.25 0.02 2.03 2.02 -1.26 -0.77 118.70 122.33 2jlr s GLU 578 Ca 0.43 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.94 2jlr s GLU 578 Cb -0.12 -3.74 -0.06 0.00 0.10 0.00 0.00 34.13 30.31 2jlr s GLU 578 CO 0.22 -0.67 1.48 0.08 0.02 0.00 0.00 175.26 176.40 2jlr s VAL 579 N 3.19 3.50 0.07 2.63 1.01 -0.72 -4.90 120.40 125.18 2jlr s VAL 579 Ca 0.60 0.90 0.09 0.00 0.00 0.00 0.00 61.98 63.57 2jlr s VAL 579 Cb -0.26 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2jlr s VAL 579 CO 0.21 -0.00 -0.25 -1.61 0.00 0.00 0.00 175.10 173.44 2jlr s GLU 580 N 2.52 1.76 -0.05 2.72 2.02 -1.26 -1.05 118.70 125.35 2jlr s GLU 580 Ca 0.67 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.55 2jlr s GLU 580 Cb -0.34 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2jlr s GLU 580 CO 0.28 0.50 -0.15 0.42 0.02 0.00 0.00 175.26 176.33 2jlr s ILE 581 N -0.90 1.31 -0.25 -1.63 -1.09 0.21 -4.90 121.20 113.95 2jlr s ILE 581 Ca 0.13 -0.62 -0.25 0.00 -2.23 0.00 0.00 60.65 57.68 2jlr s ILE 581 Cb -0.10 -1.15 -0.00 0.00 -1.58 0.00 0.00 42.46 39.63 2jlr s ILE 581 CO 0.04 0.39 0.87 0.26 -1.23 0.00 0.00 174.94 175.26 2jlr s TRP 582 N 0.31 3.29 0.68 3.97 0.52 -1.26 -0.12 118.94 126.33 2jlr s TRP 582 Ca -0.09 1.15 -0.07 0.00 0.02 0.00 0.00 56.10 57.11 2jlr s TRP 582 Cb -0.13 -3.14 0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2jlr s TRP 582 CO 0.03 -0.46 0.99 0.95 0.02 0.00 0.00 176.95 178.49 2jlr s THR 583 N 2.96 2.67 0.37 2.01 -4.23 0.20 -4.66 115.64 114.96 2jlr s THR 583 Ca 0.36 -0.17 0.18 0.00 -1.18 0.00 0.00 61.69 60.89 2jlr s THR 583 Cb -0.15 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 70.92 2jlr s THR 583 CO 0.08 -0.15 1.68 -0.09 -0.54 0.00 0.00 174.62 175.60 2jlr h ARG 584 N -0.50 0.29 -0.25 3.99 2.43 -1.51 -1.37 114.38 117.46 2jlr h ARG 584 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jlr h ARG 584 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2jlr h ARG 584 CO 0.61 0.19 0.00 0.39 -1.51 0.00 0.00 179.97 179.65 2jlr n GLU 585 N -4.90 1.82 -2.54 0.20 4.71 -1.26 -4.89 120.64 113.78 2jlr n GLU 585 Ca 0.32 -1.24 -0.02 0.00 -0.01 0.00 0.00 57.16 56.20 2jlr n GLU 585 Cb 1.04 -1.36 0.01 0.00 -1.01 0.00 0.00 31.44 30.11 2jlr n GLU 585 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jlr n GLY 586 N 1.14 0.75 3.51 0.62 0.00 -0.52 -5.07 105.19 105.61 2jlr n GLY 586 Ca 0.15 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2jlr n GLY 586 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jlr s GLU 587 N -5.00 1.93 -0.31 1.61 0.41 -1.26 -4.89 118.70 111.19 2jlr s GLU 587 Ca 0.05 -1.10 -0.09 0.00 -0.41 0.00 0.00 54.97 53.42 2jlr s GLU 587 Cb -0.02 -2.18 -0.00 0.00 -1.78 0.00 0.00 34.13 30.15 2jlr s GLU 587 CO 0.06 0.50 0.14 0.21 -0.49 0.00 0.00 175.26 175.68 2jlr s LYS 588 N -2.01 3.25 0.01 1.61 2.20 -1.26 0.58 119.74 124.12 2jlr s LYS 588 Ca 0.18 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2jlr s LYS 588 Cb -0.11 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2jlr s LYS 588 CO 0.10 -0.44 -0.12 0.15 -0.36 0.00 0.00 175.35 174.68 2jlr s LYS 589 N 1.58 0.92 0.09 4.03 1.02 0.83 -4.91 119.74 123.30 2jlr s LYS 589 Ca 0.04 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 2jlr s LYS 589 Cb -0.17 -0.89 -0.08 0.00 -0.52 0.00 0.00 37.83 36.17 2jlr s LYS 589 CO 0.05 0.23 1.43 0.15 -0.92 0.00 0.00 175.35 176.30 2jlr s LYS 590 N -0.64 4.29 -0.41 1.68 1.02 -1.26 0.64 119.74 125.06 2jlr s LYS 590 Ca 0.03 2.10 -0.28 0.00 0.02 0.00 0.00 55.97 57.84 2jlr s LYS 590 Cb -0.06 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2jlr s LYS 590 CO 0.00 -0.51 1.86 -1.17 -0.92 0.00 0.00 175.35 174.61 2jlr s LEU 591 N 1.53 3.44 -0.45 3.17 2.96 -0.21 -4.66 118.68 124.46 2jlr s LEU 591 Ca 0.66 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 55.67 2jlr s LEU 591 Cb -0.36 -3.19 0.21 0.00 0.50 0.00 0.00 46.19 43.34 2jlr s LEU 591 CO 0.30 -1.96 0.59 -1.14 -1.32 0.00 0.00 176.35 172.82 2jlr n ARG 592 N 8.66 0.50 -2.31 1.98 0.63 -0.21 -1.77 116.66 124.15 2jlr n ARG 592 Ca 0.23 -2.60 -0.39 0.00 -0.92 0.00 0.00 57.85 54.17 2jlr n ARG 592 Cb 0.49 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.89 2jlr n ARG 592 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jlr s PRO 593 N 0.14 4.25 0.43 -0.14 0.04 -1.05 0.57 135.00 139.24 2jlr s PRO 593 Ca 0.32 1.89 0.10 0.00 0.04 0.00 0.00 61.00 63.35 2jlr s PRO 593 Cb 0.09 -2.86 0.94 0.00 0.04 0.00 0.00 34.50 32.71 2jlr s PRO 593 CO -0.15 -0.17 2.04 -0.22 0.04 0.00 0.00 177.00 178.55 2jlr h LYS 594 N 3.04 0.34 -5.44 4.56 3.64 -1.26 -3.36 116.57 118.07 2jlr h LYS 594 Ca -0.48 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.19 2jlr h LYS 594 Cb 1.23 -0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 32.68 2jlr h LYS 594 CO 0.64 0.28 -0.83 -1.58 -2.27 0.00 0.00 179.45 175.69 2jlr s TRP 595 N -5.20 2.65 -0.35 1.91 0.51 -1.26 -4.82 118.94 112.38 2jlr s TRP 595 Ca -0.07 -0.82 -0.08 0.00 -2.12 0.00 0.00 56.10 53.01 2jlr s TRP 595 Cb 0.17 -1.75 0.03 0.00 -0.81 0.00 0.00 33.47 31.11 2jlr s TRP 595 CO 0.72 -0.29 0.15 -1.17 -0.51 0.00 0.00 176.95 175.84 2jlr s LEU 596 N 0.24 4.42 -0.24 2.99 2.96 -1.26 -5.06 118.68 122.74 2jlr s LEU 596 Ca -0.13 -1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 52.77 2jlr s LEU 596 Cb -0.16 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2jlr s LEU 596 CO 0.07 -0.33 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.06 2jlr s ASP 597 N 1.48 4.15 0.65 3.68 3.68 -1.26 -1.80 116.67 127.25 2jlr s ASP 597 Ca 0.01 -0.89 0.41 0.00 2.13 0.00 0.00 52.55 54.21 2jlr s ASP 597 Cb -0.19 -1.62 2.29 0.00 -1.45 0.00 0.00 42.92 41.95 2jlr s ASP 597 CO 0.04 -0.11 2.35 0.00 0.13 0.00 0.00 175.17 177.58 2jlr h ALA 598 N 7.97 1.11 0.00 3.66 0.00 -1.38 -1.95 119.26 128.67 2jlr h ALA 598 Ca -0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2jlr h ALA 598 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jlr h ALA 598 CO 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2jlr h ARG 599 N 0.00 0.00 -0.00 0.00 3.08 -1.94 -2.05 114.38 113.47 2jlr h ARG 599 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jlr h ARG 599 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2jlr h ARG 599 CO 0.00 0.04 -0.06 1.33 -1.07 0.00 0.00 179.97 180.21 2jlr n VAL 600 N -3.13 0.00 -2.23 2.04 0.24 -0.73 -3.54 118.33 110.98 2jlr n VAL 600 Ca 0.02 -0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 2jlr n VAL 600 Cb 0.39 -0.30 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 2jlr n VAL 600 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jlr n TYR 601 N -1.15 0.00 0.21 6.34 4.11 -1.07 -2.77 117.16 122.84 2jlr n TYR 601 Ca 0.14 -0.23 0.09 0.00 -0.00 0.00 0.00 57.90 57.90 2jlr n TYR 601 Cb 0.26 -0.10 0.40 0.00 -0.00 0.00 0.00 39.34 39.90 2jlr n TYR 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jlr h ALA 602 N 0.46 0.98 -2.80 -3.48 0.00 -1.42 -3.45 119.26 109.55 2jlr h ALA 602 Ca -0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2jlr h ALA 602 Cb 1.63 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 2jlr h ALA 602 CO 0.05 0.30 -0.13 0.16 0.00 0.00 0.00 179.25 179.63 2jlr s ASP 603 N -6.21 -0.10 0.22 0.00 1.47 -1.26 -4.85 116.67 105.94 2jlr s ASP 603 Ca 0.01 -0.81 -0.09 0.00 1.18 0.00 0.00 52.55 52.84 2jlr s ASP 603 Cb 0.10 0.55 0.34 0.00 -0.34 0.00 0.00 42.92 43.57 2jlr s ASP 603 CO 0.65 -1.06 1.67 -0.65 0.68 0.00 0.00 175.17 176.45 2jlr h PRO 604 N 2.31 0.15 -0.32 2.11 0.11 -1.99 -0.88 132.00 133.50 2jlr h PRO 604 Ca -0.28 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 2jlr h PRO 604 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jlr h PRO 604 CO 0.39 0.10 -0.46 1.98 -0.21 0.00 0.00 178.00 179.80 2jlr h MET 605 N 0.16 0.84 -0.26 1.05 1.85 -1.98 -1.64 114.93 114.95 2jlr h MET 605 Ca 0.35 -0.48 0.01 0.00 -0.61 0.00 0.00 59.70 58.97 2jlr h MET 605 Cb 0.58 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 2jlr h MET 605 CO -0.53 1.11 0.16 0.00 -0.40 0.00 0.00 176.91 177.26 2jlr h ALA 606 N 0.81 0.33 -0.39 0.39 0.00 -1.73 -1.75 119.26 116.92 2jlr h ALA 606 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jlr h ALA 606 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jlr h ALA 606 CO 0.10 -0.21 0.15 1.25 0.00 0.00 0.00 179.25 180.54 2jlr h LEU 607 N 0.34 0.55 -0.27 0.00 5.85 -0.99 -1.35 115.31 119.44 2jlr h LEU 607 Ca 0.10 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2jlr h LEU 607 Cb -0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2jlr h LEU 607 CO -0.03 0.58 -0.14 0.50 -0.34 0.00 0.00 178.44 179.00 2jlr h LYS 608 N 0.49 -0.11 -0.25 1.25 3.64 -1.20 0.63 116.57 121.03 2jlr h LYS 608 Ca 0.13 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2jlr h LYS 608 Cb 0.21 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2jlr h LYS 608 CO -0.01 -0.07 0.09 -0.44 -2.27 0.00 0.00 179.45 176.74 2jlr h ASP 609 N -0.11 0.10 -0.24 4.20 3.32 -1.04 -0.96 116.42 121.68 2jlr h ASP 609 Ca 0.14 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2jlr h ASP 609 Cb 0.33 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2jlr h ASP 609 CO -0.34 0.09 0.04 0.15 -1.72 0.00 0.00 179.24 177.46 2jlr h PHE 610 N 0.20 0.52 -0.68 4.55 3.57 -0.91 -0.93 116.94 123.26 2jlr h PHE 610 Ca 0.11 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2jlr h PHE 610 Cb 0.08 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2jlr h PHE 610 CO -0.13 0.49 0.27 0.87 -2.23 0.00 0.00 178.31 177.58 2jlr h LYS 611 N 0.49 1.01 -0.67 1.11 1.57 -0.37 0.13 116.57 119.84 2jlr h LYS 611 Ca 0.11 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jlr h LYS 611 Cb 0.26 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2jlr h LYS 611 CO 0.00 0.84 0.43 0.93 -0.57 0.00 0.00 179.45 181.08 2jlr h GLU 612 N 0.96 0.90 -0.03 3.15 4.39 -0.54 -1.94 114.58 121.46 2jlr h GLU 612 Ca 0.23 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2jlr h GLU 612 Cb 0.21 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2jlr h GLU 612 CO -0.02 0.61 0.01 0.35 -1.16 0.00 0.00 179.01 178.81 2jlr h PHE 613 N 0.91 0.05 -0.12 4.33 3.57 -0.76 -1.27 116.94 123.66 2jlr h PHE 613 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2jlr h PHE 613 Cb -0.07 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2jlr h PHE 613 CO -0.02 0.22 0.01 0.00 -2.23 0.00 0.00 178.31 176.29 2jlr h ALA 614 N 0.82 1.80 -0.01 2.41 0.00 -0.66 0.86 119.26 124.49 2jlr h ALA 614 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jlr h ALA 614 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jlr h ALA 614 CO -0.00 0.16 -0.02 -1.13 0.00 0.00 0.00 179.25 178.25 2jlr n SER 615 N -4.45 0.78 -2.00 0.00 3.41 -0.74 -4.80 113.62 105.82 2jlr n SER 615 Ca -0.01 -1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 57.31 2jlr n SER 615 Cb 0.14 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2jlr n SER 615 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jlr n GLY 616 N 1.13 0.01 1.08 5.00 0.00 0.30 -1.31 105.19 111.40 2jlr n GLY 616 Ca 0.20 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2jlr n GLY 616 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jlr n ARG 617 N -2.81 2.37 0.00 1.61 1.74 -0.51 -4.82 116.66 114.25 2jlr n ARG 617 Ca -0.04 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 2jlr n ARG 617 Cb 0.56 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 2jlr n ARG 617 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47