#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmu s ARG 150 N 0.00 4.12 -0.13 7.34 3.52 -1.26 0.43 118.95 132.97 2pmu s ARG 150 Ca 0.00 0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 2pmu s ARG 150 Cb 0.00 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 2pmu s ARG 150 CO 0.00 -0.26 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.55 2pmu s LEU 151 N 2.00 1.87 0.05 -0.88 1.43 -0.61 -4.99 118.68 117.54 2pmu s LEU 151 Ca 0.22 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2pmu s LEU 151 Cb -0.15 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2pmu s LEU 151 CO 0.09 0.02 -0.09 0.42 0.23 0.00 0.00 176.35 177.02 2pmu s THR 152 N 1.03 0.68 -0.07 5.49 -4.23 -1.26 -0.18 115.64 117.10 2pmu s THR 152 Ca -0.04 -1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 2pmu s THR 152 Cb -0.15 -0.72 0.04 0.00 1.34 0.00 0.00 72.50 73.02 2pmu s THR 152 CO -0.04 -0.34 0.13 0.12 -0.54 0.00 0.00 174.62 173.94 2pmu s PHE 153 N -1.36 -0.10 0.00 3.99 5.36 -0.32 -5.01 117.98 120.55 2pmu s PHE 153 Ca -0.08 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2pmu s PHE 153 Cb -0.10 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.27 2pmu s PHE 153 CO 0.01 -0.24 0.00 0.00 -1.46 0.00 0.00 175.22 173.53 2pmu n ALA 154 N 5.21 0.00 -1.28 11.12 0.00 -1.26 -0.64 120.51 133.66 2pmu n ALA 154 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2pmu n ALA 154 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.17 2pmu n ALA 154 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pmu n ASP 155 N 6.23 3.32 -4.75 0.00 5.75 -1.26 -4.92 116.55 120.93 2pmu n ASP 155 Ca 0.00 -3.56 -0.35 0.00 -0.01 0.00 0.00 54.79 50.86 2pmu n ASP 155 Cb 0.00 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.32 2pmu n ASP 155 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2pmu s ILE 156 N -3.18 5.35 -0.05 2.12 1.01 0.19 -1.22 121.20 125.42 2pmu s ILE 156 Ca 0.49 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.33 2pmu s ILE 156 Cb 0.42 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2pmu s ILE 156 CO 0.06 0.48 -0.12 -1.61 0.00 0.00 0.00 174.94 173.75 2pmu s GLU 157 N 0.09 1.42 0.01 2.79 2.02 -0.30 -1.17 118.70 123.56 2pmu s GLU 157 Ca 0.09 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 54.75 2pmu s GLU 157 Cb -0.11 -1.24 -0.02 0.00 0.10 0.00 0.00 34.13 32.86 2pmu s GLU 157 CO -0.01 0.09 -0.20 -0.51 0.02 0.00 0.00 175.26 174.65 2pmu s LEU 158 N 0.42 2.08 -0.35 1.80 1.02 0.75 -1.19 118.68 123.22 2pmu s LEU 158 Ca -0.09 -0.41 -0.11 0.00 0.02 0.00 0.00 54.13 53.54 2pmu s LEU 158 Cb -0.13 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.11 2pmu s LEU 158 CO 0.02 0.21 0.19 -0.62 0.02 0.00 0.00 176.35 176.17 2pmu s ASP 159 N -0.71 5.71 0.48 2.29 -1.08 -0.05 -1.58 116.67 121.73 2pmu s ASP 159 Ca 0.07 -0.77 0.32 0.00 -0.52 0.00 0.00 52.55 51.66 2pmu s ASP 159 Cb -0.08 -2.03 1.49 0.00 -1.46 0.00 0.00 42.92 40.84 2pmu s ASP 159 CO 0.00 -0.31 1.97 -0.33 0.52 0.00 0.00 175.17 177.02 2pmu h GLU 160 N 8.42 0.00 0.00 4.34 5.08 -0.34 0.13 114.58 132.21 2pmu h GLU 160 Ca -0.29 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 2pmu h GLU 160 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2pmu h GLU 160 CO 0.65 0.00 -0.80 1.49 -1.00 0.00 0.00 179.01 179.35 2pmu h GLU 161 N 0.00 0.00 0.00 2.33 4.81 -1.93 -3.40 114.58 116.39 2pmu h GLU 161 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2pmu h GLU 161 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2pmu h GLU 161 CO 0.00 1.00 -1.25 0.25 -0.73 0.00 0.00 179.01 178.29 2pmu n THR 162 N -4.49 0.10 -1.45 0.32 -2.24 -1.20 -4.95 114.28 100.37 2pmu n THR 162 Ca -0.24 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2pmu n THR 162 Cb 0.61 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 2pmu n THR 162 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pmu n HIS 163 N -1.93 -0.04 -2.36 4.78 8.25 0.45 -5.01 115.22 119.35 2pmu n HIS 163 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 2pmu n HIS 163 Cb 0.44 -2.46 -0.02 0.00 1.12 0.00 0.00 29.99 29.08 2pmu n HIS 163 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2pmu s GLU 164 N -3.24 3.96 0.01 -0.41 2.02 -1.24 -4.83 118.70 114.97 2pmu s GLU 164 Ca 0.00 1.69 0.02 0.00 0.02 0.00 0.00 54.97 56.71 2pmu s GLU 164 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2pmu s GLU 164 CO 0.00 -0.36 -0.08 0.08 0.02 0.00 0.00 175.26 174.92 2pmu s VAL 165 N -1.56 0.60 0.05 2.63 1.01 -1.26 -0.87 120.40 121.01 2pmu s VAL 165 Ca 0.60 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2pmu s VAL 165 Cb -0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2pmu s VAL 165 CO 0.33 -0.01 -0.12 0.26 0.00 0.00 0.00 175.10 175.56 2pmu s TRP 166 N -0.56 1.05 -0.05 5.22 0.51 -0.33 -1.20 118.94 123.58 2pmu s TRP 166 Ca -0.01 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.55 2pmu s TRP 166 Cb -0.05 -0.61 0.02 0.00 -0.81 0.00 0.00 33.47 32.02 2pmu s TRP 166 CO 0.00 0.01 -0.02 0.21 -0.51 0.00 0.00 176.95 176.64 2pmu s LYS 167 N -1.47 0.72 -1.53 4.98 2.47 -0.40 -1.15 119.74 123.35 2pmu s LYS 167 Ca -0.03 -0.02 -0.05 0.00 -1.56 0.00 0.00 55.97 54.32 2pmu s LYS 167 Cb -0.09 -0.87 0.01 0.00 -1.46 0.00 0.00 37.83 35.42 2pmu s LYS 167 CO 0.01 -0.17 0.55 0.00 0.16 0.00 0.00 175.35 175.90 2pmu n ALA 168 N 4.47 -0.96 -0.44 3.13 0.00 -0.36 -1.26 120.51 125.09 2pmu n ALA 168 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2pmu n ALA 168 Cb 0.50 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2pmu n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pmu n GLY 169 N -1.44 1.43 3.61 0.00 0.00 -1.26 -5.03 105.19 102.51 2pmu n GLY 169 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2pmu n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pmu s GLN 170 N -0.25 2.75 0.48 1.61 -1.52 -0.39 -5.05 119.66 117.28 2pmu s GLN 170 Ca 0.00 -0.57 -0.23 0.00 -1.95 0.00 0.00 55.36 52.61 2pmu s GLN 170 Cb 0.00 -2.61 -0.07 0.00 -0.22 0.00 0.00 33.01 30.11 2pmu s GLN 170 CO 0.00 0.65 1.24 -1.25 -0.25 0.00 0.00 175.29 175.68 2pmu s PRO 171 N -1.04 3.59 -0.05 2.91 0.04 -1.26 -1.28 135.00 137.92 2pmu s PRO 171 Ca 0.14 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2pmu s PRO 171 Cb -0.11 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2pmu s PRO 171 CO 0.04 -0.74 -0.09 0.08 0.04 0.00 0.00 177.00 176.33 2pmu s VAL 172 N -1.44 0.85 -0.24 -0.36 1.01 -0.34 -4.85 120.40 115.03 2pmu s VAL 172 Ca 0.65 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2pmu s VAL 172 Cb -0.33 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2pmu s VAL 172 CO 0.40 0.28 0.50 -0.55 0.00 0.00 0.00 175.10 175.74 2pmu s SER 173 N 0.59 6.46 0.13 3.32 0.15 -1.26 -4.10 113.70 118.98 2pmu s SER 173 Ca -0.10 0.55 0.10 0.00 0.70 0.00 0.00 55.95 57.20 2pmu s SER 173 Cb -0.13 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2pmu s SER 173 CO 0.02 -0.24 -0.23 -0.76 1.20 0.00 0.00 173.24 173.22 2pmu s LEU 174 N 2.05 2.34 0.78 3.45 1.43 -1.26 -5.07 118.68 122.40 2pmu s LEU 174 Ca 0.22 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 2pmu s LEU 174 Cb -0.15 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.08 2pmu s LEU 174 CO 0.09 0.11 1.10 -0.94 0.23 0.00 0.00 176.35 176.94 2pmu s SER 175 N -2.12 4.72 0.24 2.29 1.04 -1.26 -4.78 113.70 113.83 2pmu s SER 175 Ca 0.12 1.21 -0.05 0.00 0.48 0.00 0.00 55.95 57.71 2pmu s SER 175 Cb -0.09 -1.94 0.37 0.00 0.10 0.00 0.00 66.02 64.46 2pmu s SER 175 CO 0.06 -1.81 1.82 -0.65 0.98 0.00 0.00 173.24 173.63 2pmu h PRO 176 N -0.98 0.78 -0.56 4.02 0.11 -2.01 0.35 132.00 133.71 2pmu h PRO 176 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2pmu h PRO 176 Cb 1.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2pmu h PRO 176 CO 0.61 0.52 -0.07 1.15 -0.21 0.00 0.00 178.00 180.00 2pmu h THR 177 N 0.81 1.27 -0.89 -1.15 2.02 -2.00 -1.35 112.91 111.61 2pmu h THR 177 Ca 0.39 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 2pmu h THR 177 Cb 0.32 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2pmu h THR 177 CO -0.23 0.44 0.55 -0.33 0.37 0.00 0.00 175.52 176.32 2pmu h GLU 178 N 0.93 1.19 -0.38 6.66 5.08 -1.71 -1.66 114.58 124.68 2pmu h GLU 178 Ca 0.15 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2pmu h GLU 178 Cb 0.63 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2pmu h GLU 178 CO 0.04 0.82 0.14 0.35 -1.00 0.00 0.00 179.01 179.36 2pmu h PHE 179 N 1.21 0.60 -0.63 4.33 3.57 -0.62 0.20 116.94 125.60 2pmu h PHE 179 Ca 0.32 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.78 2pmu h PHE 179 Cb -0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 2pmu h PHE 179 CO -0.00 0.55 0.41 1.15 -2.23 0.00 0.00 178.31 178.19 2pmu h THR 180 N 0.47 1.15 -0.23 4.41 2.02 -1.07 0.99 112.91 120.65 2pmu h THR 180 Ca 0.13 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2pmu h THR 180 Cb 0.22 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2pmu h THR 180 CO -0.01 0.15 0.13 0.25 0.37 0.00 0.00 175.52 176.42 2pmu h LEU 181 N 0.83 0.28 -0.30 2.58 5.85 -1.14 -1.10 115.31 122.32 2pmu h LEU 181 Ca 0.23 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2pmu h LEU 181 Cb -0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2pmu h LEU 181 CO -0.06 0.28 0.12 0.25 -0.34 0.00 0.00 178.44 178.69 2pmu h LEU 182 N 0.27 0.42 -0.66 2.25 5.85 -0.54 -2.17 115.31 120.73 2pmu h LEU 182 Ca 0.08 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2pmu h LEU 182 Cb 0.05 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2pmu h LEU 182 CO -0.01 0.47 0.35 -0.09 -0.34 0.00 0.00 178.44 178.81 2pmu h ARG 183 N 0.34 0.61 -0.67 1.25 2.43 -0.68 -0.63 114.38 117.03 2pmu h ARG 183 Ca 0.10 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 2pmu h ARG 183 Cb 0.18 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 2pmu h ARG 183 CO -0.01 0.40 0.34 -0.92 -1.51 0.00 0.00 179.97 178.27 2pmu h TYR 184 N 0.63 0.60 -0.37 2.20 3.20 -0.90 0.80 116.97 123.13 2pmu h TYR 184 Ca 0.31 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2pmu h TYR 184 Cb 0.25 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2pmu h TYR 184 CO -0.09 0.24 0.17 0.74 -1.64 0.00 0.00 178.16 177.57 2pmu h PHE 185 N 0.59 0.55 -0.36 -3.82 0.04 -0.73 -2.76 116.94 110.44 2pmu h PHE 185 Ca 0.32 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.93 2pmu h PHE 185 Cb 0.31 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2pmu h PHE 185 CO -0.11 0.47 -0.29 0.28 -0.60 0.00 0.00 178.31 178.06 2pmu h VAL 186 N 0.46 1.28 0.00 -0.55 2.07 -0.53 -1.22 116.25 117.76 2pmu h VAL 186 Ca 0.13 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2pmu h VAL 186 Cb 0.14 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2pmu h VAL 186 CO -0.01 0.48 0.00 0.16 0.02 0.00 0.00 177.57 178.22 2pmu h ILE 187 N 0.64 0.00 -0.46 4.57 3.07 -0.89 -2.28 117.51 122.15 2pmu h ILE 187 Ca 0.07 -0.40 -0.30 0.00 1.55 0.00 0.00 64.86 65.78 2pmu h ILE 187 Cb 0.87 1.28 -0.19 0.00 -0.27 0.00 0.00 36.82 38.51 2pmu h ILE 187 CO 0.08 0.00 -0.27 0.59 -1.05 0.00 0.00 178.15 177.50 2pmu n ASN 188 N -2.66 3.47 -4.71 2.16 3.02 -0.99 -5.06 115.26 110.49 2pmu n ASN 188 Ca 0.02 -3.81 -0.43 0.00 -0.03 0.00 0.00 54.58 50.33 2pmu n ASN 188 Cb 0.29 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 2pmu n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pmu n ALA 189 N -1.00 1.92 -0.06 5.41 0.00 -0.50 -1.16 120.51 125.12 2pmu n ALA 189 Ca 0.37 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.19 2pmu n ALA 189 Cb 0.92 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2pmu n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pmu n GLY 190 N 2.04 2.21 3.73 0.00 0.00 0.79 -5.01 105.19 108.96 2pmu n GLY 190 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2pmu n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pmu s THR 191 N -2.83 5.35 0.06 2.61 2.01 -0.31 -4.97 115.64 117.56 2pmu s THR 191 Ca 0.00 0.40 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2pmu s THR 191 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2pmu s THR 191 CO 0.00 0.42 1.09 -0.69 -0.69 0.00 0.00 174.62 174.75 2pmu s VAL 192 N 0.36 4.32 -0.17 3.82 1.01 -1.26 -4.55 120.40 123.93 2pmu s VAL 192 Ca 0.13 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.84 2pmu s VAL 192 Cb -0.12 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2pmu s VAL 192 CO 0.02 0.17 -0.19 -0.76 0.00 0.00 0.00 175.10 174.33 2pmu s LEU 193 N 0.76 2.21 0.68 3.92 1.43 0.04 -4.95 118.68 122.77 2pmu s LEU 193 Ca 0.54 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2pmu s LEU 193 Cb -0.26 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2pmu s LEU 193 CO 0.30 0.02 1.06 -0.94 0.23 0.00 0.00 176.35 177.02 2pmu s SER 194 N 1.17 5.46 0.17 2.29 1.04 -1.26 -1.39 113.70 121.19 2pmu s SER 194 Ca 0.02 1.64 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 2pmu s SER 194 Cb -0.14 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.56 2pmu s SER 194 CO -0.09 -1.39 1.83 0.11 0.98 0.00 0.00 173.24 174.68 2pmu h LYS 195 N -0.55 0.67 -0.83 4.02 1.57 -1.94 -2.09 116.57 117.43 2pmu h LYS 195 Ca -0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2pmu h LYS 195 Cb 1.21 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2pmu h LYS 195 CO 0.57 0.45 0.53 -1.35 -0.57 0.00 0.00 179.45 179.07 2pmu h PRO 196 N 0.69 1.10 -0.40 3.15 0.11 -1.96 0.13 132.00 134.83 2pmu h PRO 196 Ca 0.20 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2pmu h PRO 196 Cb -0.06 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.79 2pmu h PRO 196 CO -0.06 0.75 0.22 -0.22 -0.21 0.00 0.00 178.00 178.48 2pmu h LYS 197 N 1.13 0.57 -0.45 1.05 3.64 -1.88 -1.35 116.57 119.27 2pmu h LYS 197 Ca 0.30 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 2pmu h LYS 197 Cb -0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2pmu h LYS 197 CO -0.06 0.47 -0.02 0.82 -2.27 0.00 0.00 179.45 178.38 2pmu h ILE 198 N 0.52 1.26 -0.07 2.00 2.04 -0.96 -0.49 117.51 121.82 2pmu h ILE 198 Ca 0.14 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2pmu h ILE 198 Cb 0.07 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2pmu h ILE 198 CO -0.02 0.38 -0.01 0.25 0.00 0.00 0.00 178.15 178.75 2pmu h LEU 199 N 0.66 -0.04 -0.54 1.44 5.85 -0.59 0.41 115.31 122.51 2pmu h LEU 199 Ca 0.13 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2pmu h LEU 199 Cb 0.53 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2pmu h LEU 199 CO 0.03 -0.01 -0.46 -0.78 -0.34 0.00 0.00 178.44 176.88 2pmu h ASP 200 N 0.02 0.00 0.20 1.25 3.58 -1.15 0.87 116.42 121.20 2pmu h ASP 200 Ca 0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2pmu h ASP 200 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2pmu h ASP 200 CO -0.06 0.46 -0.10 -0.74 -2.88 0.00 0.00 179.24 175.93 2pmu h HIS 201 N 0.00 -0.25 0.23 0.28 2.76 -0.78 -3.37 115.15 114.02 2pmu h HIS 201 Ca -0.00 -0.01 -0.33 0.00 -2.20 0.00 0.00 60.37 57.83 2pmu h HIS 201 Cb 1.13 0.08 0.03 0.00 1.55 0.00 0.00 27.41 30.21 2pmu h HIS 201 CO 0.00 0.15 -1.46 0.28 -1.30 0.00 0.00 177.93 175.60 2pmu h VAL 202 N -0.80 1.24 0.00 5.26 2.07 -0.93 -3.46 116.25 119.63 2pmu h VAL 202 Ca -0.03 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2pmu h VAL 202 Cb 0.52 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2pmu h VAL 202 CO 0.05 0.81 0.00 0.79 0.02 0.00 0.00 177.57 179.23 2pmu n TRP 203 N -3.75 0.00 -3.59 1.57 8.01 0.25 -5.08 117.44 114.85 2pmu n TRP 203 Ca -0.18 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.90 2pmu n TRP 203 Cb 1.07 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.33 2pmu n TRP 203 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.69 175.70 2pmu s ARG 204 N 2.69 1.16 0.56 -0.99 1.70 -0.87 -4.73 118.95 118.48 2pmu s ARG 204 Ca 0.00 -0.66 0.25 0.00 -0.47 0.00 0.00 55.73 54.85 2pmu s ARG 204 Cb 0.00 0.51 1.54 0.00 -0.57 0.00 0.00 34.95 36.42 2pmu s ARG 204 CO 0.00 -0.48 2.11 0.10 -1.08 0.00 0.00 175.30 175.95 2pmu h TYR 205 N 2.24 0.00 -0.81 5.89 -0.00 -1.82 -2.17 116.97 120.30 2pmu h TYR 205 Ca -0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.11 2pmu h TYR 205 Cb 1.27 0.00 -0.17 0.00 -0.00 0.00 0.00 36.73 37.83 2pmu h TYR 205 CO 0.30 0.00 0.36 -0.40 -0.00 0.00 0.00 178.16 178.43 2pmu n ASP 206 N -4.09 4.65 -0.01 0.10 3.85 -1.26 -4.60 116.55 115.19 2pmu n ASP 206 Ca 0.02 -3.31 -0.09 0.00 -0.71 0.00 0.00 54.79 50.70 2pmu n ASP 206 Cb 0.30 -0.77 -0.03 0.00 -1.35 0.00 0.00 41.12 39.27 2pmu n ASP 206 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2pmu h PHE 207 N 2.34 -0.32 -4.23 2.11 3.57 -1.78 -3.54 116.94 115.08 2pmu h PHE 207 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2pmu h PHE 207 Cb 2.48 0.16 0.00 0.00 2.79 0.00 0.00 35.95 41.39 2pmu h PHE 207 CO 1.38 -0.19 -0.27 0.41 -2.23 0.00 0.00 178.31 177.41 2pmu n GLY 208 N -1.28 -1.03 0.59 2.40 0.00 -1.26 -5.13 105.19 99.48 2pmu n GLY 208 Ca -0.03 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2pmu n GLY 208 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pmu n VAL 211 N -0.39 0.16 0.05 1.61 0.24 -1.26 -4.94 118.33 113.80 2pmu n VAL 211 Ca 0.06 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2pmu n VAL 211 Cb 0.25 -0.54 0.20 0.00 -1.47 0.00 0.00 33.84 32.28 2pmu n VAL 211 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pmu h ASN 212 N 0.12 0.38 -0.01 -1.34 -1.07 -2.00 -2.23 115.58 109.44 2pmu h ASN 212 Ca 0.00 -0.15 -0.06 0.00 0.07 0.00 0.00 56.30 56.16 2pmu h ASN 212 Cb 0.53 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.66 2pmu h ASN 212 CO 0.00 0.72 -0.14 1.62 0.07 0.00 0.00 177.43 179.70 2pmu h VAL 213 N 0.31 1.20 0.01 6.14 3.04 -1.99 -0.51 116.25 124.45 2pmu h VAL 213 Ca 0.03 -0.87 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 2pmu h VAL 213 Cb 0.78 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2pmu h VAL 213 CO 0.06 0.27 -0.00 0.58 -1.01 0.00 0.00 177.57 177.47 2pmu h VAL 214 N 0.28 1.23 -0.60 1.51 2.07 -1.86 -0.93 116.25 117.96 2pmu h VAL 214 Ca 0.06 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.91 2pmu h VAL 214 Cb 0.42 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2pmu h VAL 214 CO 0.02 0.19 0.30 -0.33 0.02 0.00 0.00 177.57 177.77 2pmu h GLU 215 N -0.32 0.54 -0.15 1.57 5.08 -1.14 -0.42 114.58 119.73 2pmu h GLU 215 Ca -0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2pmu h GLU 215 Cb 0.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2pmu h GLU 215 CO 0.00 0.36 0.01 0.77 -1.00 0.00 0.00 179.01 179.15 2pmu h SER 216 N 0.56 -0.03 0.56 1.42 0.02 -0.98 -2.07 113.55 113.03 2pmu h SER 216 Ca 0.27 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.11 2pmu h SER 216 Cb 0.21 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2pmu h SER 216 CO -0.20 0.01 -0.67 1.88 -1.14 0.00 0.00 176.83 176.71 2pmu h TYR 217 N 0.07 0.13 -0.77 3.45 -1.99 -0.82 -1.05 116.97 116.00 2pmu h TYR 217 Ca 0.07 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.76 2pmu h TYR 217 Cb 0.08 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 2pmu h TYR 217 CO -0.14 0.74 0.50 0.28 -0.00 0.00 0.00 178.16 179.53 2pmu h VAL 218 N 0.07 1.17 -0.18 -2.88 2.07 -1.03 0.36 116.25 115.83 2pmu h VAL 218 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2pmu h VAL 218 Cb 1.19 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2pmu h VAL 218 CO 0.09 0.18 0.12 -1.28 0.02 0.00 0.00 177.57 176.71 2pmu h SER 219 N 1.01 0.21 -0.32 0.57 0.87 -0.90 0.85 113.55 115.85 2pmu h SER 219 Ca 0.29 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2pmu h SER 219 Cb -0.08 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2pmu h SER 219 CO -0.08 0.17 0.15 1.88 -0.53 0.00 0.00 176.83 178.43 2pmu h TYR 220 N 0.24 0.46 -0.53 2.24 0.05 -0.96 -1.89 116.97 116.57 2pmu h TYR 220 Ca 0.07 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2pmu h TYR 220 Cb -0.01 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2pmu h TYR 220 CO -0.06 0.40 0.15 1.25 -1.05 0.00 0.00 178.16 178.85 2pmu h LEU 221 N 0.38 0.79 -1.09 3.88 5.85 -0.72 -2.43 115.31 121.99 2pmu h LEU 221 Ca 0.11 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2pmu h LEU 221 Cb 0.12 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2pmu h LEU 221 CO -0.01 0.81 0.62 0.03 -0.34 0.00 0.00 178.44 179.54 2pmu h ARG 222 N 0.74 1.21 0.00 1.25 3.08 -0.63 0.18 114.38 120.21 2pmu h ARG 222 Ca 0.17 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2pmu h ARG 222 Cb 0.31 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2pmu h ARG 222 CO -0.00 0.80 -0.41 0.00 -1.07 0.00 0.00 179.97 179.28 2pmu h ARG 223 N 1.25 0.00 0.18 0.04 3.08 -1.01 0.60 114.38 118.52 2pmu h ARG 223 Ca 0.35 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.10 2pmu h ARG 223 Cb -0.11 0.00 0.02 0.00 0.08 0.00 0.00 29.97 29.96 2pmu h ARG 223 CO -0.08 0.41 -1.42 0.87 -1.07 0.00 0.00 179.97 178.68 2pmu h LYS 224 N 0.00 0.39 0.00 0.04 1.79 -0.94 -3.43 116.57 114.41 2pmu h LYS 224 Ca -0.00 -0.67 -0.01 0.00 -2.18 0.00 0.00 60.65 57.79 2pmu h LYS 224 Cb 0.73 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2pmu h LYS 224 CO 0.05 1.32 -1.19 1.51 -1.08 0.00 0.00 179.45 180.06 2pmu n ILE 225 N -3.81 0.04 -2.96 1.86 0.13 0.59 -4.80 119.36 110.41 2pmu n ILE 225 Ca -0.20 -0.10 -0.29 0.00 -1.10 0.00 0.00 62.75 61.05 2pmu n ILE 225 Cb 1.00 0.22 -0.04 0.00 -0.84 0.00 0.00 39.64 39.98 2pmu n ILE 225 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2pmu n ASP 226 N -1.71 4.82 -0.36 9.51 2.03 0.20 -4.67 116.55 126.36 2pmu n ASP 226 Ca -0.01 -3.65 0.07 0.00 0.52 0.00 0.00 54.79 51.71 2pmu n ASP 226 Cb 0.18 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 39.92 2pmu n ASP 226 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pmu n THR 227 N -0.05 0.00 -1.45 5.18 -2.24 -1.26 -4.84 114.28 109.62 2pmu n THR 227 Ca 0.33 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 2pmu n THR 227 Cb 0.37 1.19 0.11 0.00 -2.10 0.00 0.00 70.33 69.90 2pmu n THR 227 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pmu s GLY 228 N -1.58 1.62 0.46 3.38 0.00 -1.26 -4.92 107.32 105.02 2pmu s GLY 228 Ca 0.12 -0.17 0.16 0.00 0.00 0.00 0.00 44.72 44.82 2pmu s GLY 228 CO 0.31 0.27 2.00 0.83 0.00 0.00 0.00 173.10 176.51 2pmu h GLU 229 N -1.24 0.31 -5.01 2.90 5.08 -2.03 -3.36 114.58 111.24 2pmu h GLU 229 Ca -0.48 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.22 2pmu h GLU 229 Cb 1.27 -0.07 -0.22 0.00 0.50 0.00 0.00 28.75 30.24 2pmu h GLU 229 CO 0.58 0.20 -0.62 0.15 -1.00 0.00 0.00 179.01 178.32 2pmu s LYS 230 N -5.31 3.69 0.30 2.33 1.02 -1.26 -5.08 119.74 115.44 2pmu s LYS 230 Ca -0.07 -0.46 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 2pmu s LYS 230 Cb 0.19 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.12 2pmu s LYS 230 CO 0.74 -0.11 0.84 1.03 -0.92 0.00 0.00 175.35 176.92 2pmu s ARG 231 N 1.40 4.33 -0.04 1.68 0.52 -1.26 -4.90 118.95 120.68 2pmu s ARG 231 Ca 0.05 1.04 0.10 0.00 -0.52 0.00 0.00 55.73 56.40 2pmu s ARG 231 Cb -0.15 -2.68 -0.15 0.00 0.52 0.00 0.00 34.95 32.49 2pmu s ARG 231 CO 0.03 0.26 0.17 1.28 0.02 0.00 0.00 175.30 177.06 2pmu n LEU 232 N 0.30 0.00 -4.32 2.53 4.77 -1.26 -4.25 117.00 114.77 2pmu n LEU 232 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2pmu n LEU 232 Cb 0.51 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2pmu n LEU 232 CO 0.42 0.07 -0.05 -0.22 -1.33 0.00 0.00 177.39 176.29 2pmu s LEU 233 N -4.03 5.34 -0.03 2.23 0.20 -1.26 -0.93 118.68 120.20 2pmu s LEU 233 Ca -0.04 -1.42 0.03 0.00 0.69 0.00 0.00 54.13 53.39 2pmu s LEU 233 Cb 0.06 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 2pmu s LEU 233 CO 0.43 -0.58 -0.10 -1.00 -0.29 0.00 0.00 176.35 174.80 2pmu s HIS 234 N 1.52 2.81 -0.10 5.38 3.76 0.07 -4.96 115.29 123.76 2pmu s HIS 234 Ca 0.03 -0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 54.68 2pmu s HIS 234 Cb -0.23 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2pmu s HIS 234 CO 0.04 0.28 0.50 0.99 -0.85 0.00 0.00 174.74 175.71 2pmu s THR 235 N -0.84 5.16 -0.37 1.30 2.01 -1.26 -1.24 115.64 120.40 2pmu s THR 235 Ca 0.13 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 2pmu s THR 235 Cb -0.11 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.66 2pmu s THR 235 CO 0.03 0.33 0.13 -0.76 -0.69 0.00 0.00 174.62 173.66 2pmu s LEU 236 N 0.56 4.88 0.20 4.42 1.43 0.68 -5.00 118.68 125.85 2pmu s LEU 236 Ca 0.27 -1.89 -0.33 0.00 -1.03 0.00 0.00 54.13 51.16 2pmu s LEU 236 Cb -0.16 -1.77 -0.14 0.00 0.03 0.00 0.00 46.19 44.16 2pmu s LEU 236 CO 0.11 -0.45 1.48 0.54 0.23 0.00 0.00 176.35 178.26 2pmu n ARG 237 N 4.54 2.06 -0.29 1.70 3.00 -1.26 -0.91 116.66 125.49 2pmu n ARG 237 Ca -0.04 0.74 0.00 0.00 -0.01 0.00 0.00 57.85 58.54 2pmu n ARG 237 Cb 0.42 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.44 2pmu n ARG 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pmu n GLY 238 N 2.72 1.68 0.20 -0.13 0.00 -1.26 -4.71 105.19 103.69 2pmu n GLY 238 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2pmu n GLY 238 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pmu n VAL 239 N -2.00 0.22 0.00 1.61 0.31 -0.09 -5.08 118.33 113.30 2pmu n VAL 239 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2pmu n VAL 239 Cb 0.00 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2pmu n VAL 239 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pmu n GLY 240 N 3.20 0.49 3.10 2.92 0.00 -0.12 -4.00 105.19 110.78 2pmu n GLY 240 Ca -0.07 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2pmu n GLY 240 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pmu s TYR 241 N -4.00 0.78 -0.05 1.61 2.02 -0.48 -0.23 117.35 117.00 2pmu s TYR 241 Ca 0.00 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.04 2pmu s TYR 241 Cb 0.00 -0.46 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2pmu s TYR 241 CO 0.00 -0.09 0.13 0.54 -1.57 0.00 0.00 175.55 174.56 2pmu s VAL 242 N -2.03 -0.01 -0.29 0.71 0.11 -0.37 -0.78 120.40 117.74 2pmu s VAL 242 Ca -0.03 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 2pmu s VAL 242 Cb -0.06 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2pmu s VAL 242 CO -0.01 0.01 0.58 -0.22 -3.33 0.00 0.00 175.10 172.13 2pmu s LEU 243 N 0.26 4.12 0.17 2.54 2.96 -1.26 -0.75 118.68 126.71 2pmu s LEU 243 Ca -0.02 0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 54.12 2pmu s LEU 243 Cb -0.03 -2.74 0.06 0.00 0.50 0.00 0.00 46.19 43.98 2pmu s LEU 243 CO -0.01 -0.39 0.64 0.00 -1.32 0.00 0.00 176.35 175.26 2pmu s ARG 244 N 2.46 1.34 0.02 1.98 1.70 -0.11 -0.15 118.95 126.20 2pmu s ARG 244 Ca 0.23 -0.55 -0.18 0.00 -0.47 0.00 0.00 55.73 54.76 2pmu s ARG 244 Cb -0.15 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2pmu s ARG 244 CO 0.10 -0.59 0.52 -1.21 -1.08 0.00 0.00 175.30 173.04 2pmu s GLU 245 N -3.74 4.15 0.00 3.89 2.02 -1.26 -4.33 118.70 119.43 2pmu s GLU 245 Ca 0.03 0.62 0.15 0.00 0.02 0.00 0.00 54.97 55.78 2pmu s GLU 245 Cb -0.02 -3.27 0.87 0.00 0.10 0.00 0.00 34.13 31.81 2pmu s GLU 245 CO -0.09 0.57 1.29 -2.30 0.02 0.00 0.00 175.26 174.74