#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 4.25 -0.12 7.34 0.52 -1.26 0.00 118.95 129.68 2pmu s ARG 150 Ca 0.00 0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2pmu s ARG 150 Cb 0.00 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.97 2pmu s ARG 150 CO 0.00 -0.05 -0.16 -0.51 0.02 0.00 0.00 175.30 174.59 2pmu s LEU 151 N 1.31 1.78 0.06 2.53 1.43 -0.59 -4.99 118.68 120.22 2pmu s LEU 151 Ca 0.26 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2pmu s LEU 151 Cb -0.15 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2pmu s LEU 151 CO 0.10 0.01 -0.09 0.42 0.23 0.00 0.00 176.35 177.02 2pmu s THR 152 N 1.08 0.74 -0.09 5.49 -4.23 -1.26 -0.36 115.64 117.00 2pmu s THR 152 Ca -0.04 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2pmu s THR 152 Cb -0.14 -0.94 0.05 0.00 1.34 0.00 0.00 72.50 72.80 2pmu s THR 152 CO -0.04 -0.43 0.18 0.12 -0.54 0.00 0.00 174.62 173.91 2pmu s PHE 153 N -1.78 -0.22 0.00 3.99 5.36 -0.24 -5.01 117.98 120.07 2pmu s PHE 153 Ca -0.03 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2pmu s PHE 153 Cb -0.07 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.41 2pmu s PHE 153 CO 0.00 -0.28 0.00 0.00 -1.46 0.00 0.00 175.22 173.49 2pmu n ALA 154 N 5.21 0.00 -1.19 11.12 0.00 -1.26 -0.79 120.51 133.59 2pmu n ALA 154 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2pmu n ALA 154 Cb 0.50 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.19 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 6.29 3.59 -4.75 0.00 5.75 -1.26 -4.92 116.55 121.25 2pmu n ASP 155 Ca 0.00 -3.39 -0.36 0.00 -0.01 0.00 0.00 54.79 51.03 2pmu n ASP 155 Cb 0.00 -0.65 -0.07 0.00 -1.03 0.00 0.00 41.12 39.37 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 -3.06 5.31 -0.05 2.12 1.01 0.03 -1.21 121.20 125.35 2pmu s ILE 156 Ca 0.47 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.66 2pmu s ILE 156 Cb 0.40 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 39.27 2pmu s ILE 156 CO 0.07 0.43 -0.13 -1.61 0.00 0.00 0.00 174.94 173.71 2pmu s GLU 157 N 0.18 1.52 0.01 2.79 2.02 -0.40 -1.08 118.70 123.73 2pmu s GLU 157 Ca 0.16 -0.43 0.07 0.00 0.02 0.00 0.00 54.97 54.79 2pmu s GLU 157 Cb -0.13 -1.30 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 2pmu s GLU 157 CO 0.04 0.11 -0.21 -0.51 0.02 0.00 0.00 175.26 174.71 2pmu s LEU 158 N 0.38 2.09 -0.35 1.80 1.02 0.51 -1.09 118.68 123.05 2pmu s LEU 158 Ca -0.09 -0.44 -0.10 0.00 0.02 0.00 0.00 54.13 53.52 2pmu s LEU 158 Cb -0.13 -1.05 0.02 0.00 0.02 0.00 0.00 46.19 45.05 2pmu s LEU 158 CO 0.02 0.22 0.18 -0.62 0.02 0.00 0.00 176.35 176.17 2pmu s ASP 159 N -0.77 5.63 0.53 2.29 -1.08 -0.08 -1.54 116.67 121.65 2pmu s ASP 159 Ca 0.08 -0.84 0.35 0.00 -0.52 0.00 0.00 52.55 51.62 2pmu s ASP 159 Cb -0.08 -2.00 1.66 0.00 -1.46 0.00 0.00 42.92 41.03 2pmu s ASP 159 CO 0.00 -0.31 2.05 -0.33 0.52 0.00 0.00 175.17 177.10 2pmu h GLU 160 N 8.39 0.00 0.00 4.34 5.08 -0.74 0.72 114.58 132.36 2pmu h GLU 160 Ca -0.28 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 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 -0.67 1.49 -1.00 0.00 0.00 179.01 179.48 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 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pmu h GLU 161 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2pmu h GLU 161 CO 0.00 0.92 -1.22 0.25 -0.73 0.00 0.00 179.01 178.24 2pmu n THR 162 N -4.53 0.14 -1.58 0.32 -2.24 -1.20 -4.95 114.28 100.25 2pmu n THR 162 Ca -0.21 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2pmu n THR 162 Cb 0.56 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.00 -0.13 -2.41 4.78 8.25 0.24 -5.01 115.22 118.94 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 0.46 -2.66 -0.03 0.00 1.12 0.00 0.00 29.99 28.88 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 -3.50 3.96 0.02 -0.41 2.02 -1.24 -4.83 118.70 114.72 2pmu s GLU 164 Ca 0.00 1.63 0.02 0.00 0.02 0.00 0.00 54.97 56.64 2pmu s GLU 164 Cb 0.00 -2.46 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 2pmu s GLU 164 CO 0.00 -0.34 -0.06 0.08 0.02 0.00 0.00 175.26 174.95 2pmu s VAL 165 N -1.62 0.45 0.04 2.63 1.01 -1.26 -0.90 120.40 120.75 2pmu s VAL 165 Ca 0.61 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2pmu s VAL 165 Cb -0.25 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2pmu s VAL 165 CO 0.31 -0.14 -0.10 0.26 0.00 0.00 0.00 175.10 175.43 2pmu s TRP 166 N -0.74 0.83 -0.06 5.22 0.51 -0.25 -0.97 118.94 123.48 2pmu s TRP 166 Ca -0.04 -0.40 -0.00 0.00 -2.12 0.00 0.00 56.10 53.54 2pmu s TRP 166 Cb -0.06 -0.49 0.03 0.00 -0.81 0.00 0.00 33.47 32.13 2pmu s TRP 166 CO 0.00 -0.03 -0.02 0.21 -0.51 0.00 0.00 176.95 176.61 2pmu s LYS 167 N -1.28 0.68 -1.56 4.98 2.47 -0.24 -1.28 119.74 123.50 2pmu s LYS 167 Ca -0.05 0.01 -0.04 0.00 -1.56 0.00 0.00 55.97 54.33 2pmu s LYS 167 Cb -0.08 -0.87 0.01 0.00 -1.46 0.00 0.00 37.83 35.43 2pmu s LYS 167 CO 0.01 -0.19 0.52 0.00 0.16 0.00 0.00 175.35 175.84 2pmu n ALA 168 N 4.58 -0.94 -0.66 3.13 0.00 -0.35 -1.41 120.51 124.86 2pmu n ALA 168 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2pmu n ALA 168 Cb 0.50 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 -1.42 1.07 3.51 0.00 0.00 -1.26 -5.02 105.19 102.06 2pmu n GLY 169 Ca -0.12 0.00 -0.33 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 -0.24 2.52 0.44 1.61 -1.52 -0.50 -5.05 119.66 116.92 2pmu s GLN 170 Ca 0.00 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.46 2pmu s GLN 170 Cb 0.00 -2.42 -0.08 0.00 -0.22 0.00 0.00 33.01 30.29 2pmu s GLN 170 CO 0.00 0.62 1.31 -1.25 -0.25 0.00 0.00 175.29 175.72 2pmu s PRO 171 N -0.92 3.79 -0.06 2.91 0.04 -1.26 -1.08 135.00 138.42 2pmu s PRO 171 Ca 0.13 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2pmu s PRO 171 Cb -0.11 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2pmu s PRO 171 CO 0.02 -0.63 -0.12 0.08 0.04 0.00 0.00 177.00 176.39 2pmu s VAL 172 N -1.30 1.08 -0.21 -0.36 1.01 -0.14 -4.84 120.40 115.64 2pmu s VAL 172 Ca 0.60 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 2pmu s VAL 172 Cb -0.38 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2pmu s VAL 172 CO 0.48 0.34 0.63 -0.44 0.00 0.00 0.00 175.10 176.11 2pmu s SER 173 N 0.65 6.66 0.15 3.32 0.01 -1.26 -4.13 113.70 119.10 2pmu s SER 173 Ca -0.14 0.81 0.11 0.00 1.31 0.00 0.00 55.95 58.04 2pmu s SER 173 Cb -0.15 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2pmu s SER 173 CO 0.03 -0.29 -0.25 -0.76 0.41 0.00 0.00 173.24 172.38 2pmu s LEU 174 N 2.03 2.35 0.80 2.44 1.43 -1.26 -5.07 118.68 121.40 2pmu s LEU 174 Ca 0.28 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2pmu s LEU 174 Cb -0.16 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 44.97 2pmu s LEU 174 CO 0.10 0.15 1.11 -0.94 0.23 0.00 0.00 176.35 177.00 2pmu s SER 175 N -2.23 4.51 0.24 2.29 1.04 -1.26 -4.79 113.70 113.51 2pmu s SER 175 Ca 0.15 1.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 2pmu s SER 175 Cb -0.09 -1.86 0.37 0.00 0.10 0.00 0.00 66.02 64.54 2pmu s SER 175 CO 0.07 -1.94 1.83 -0.65 0.98 0.00 0.00 173.24 173.53 2pmu h PRO 176 N -1.07 0.87 -0.52 4.02 0.11 -2.01 0.11 132.00 133.52 2pmu h PRO 176 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 2pmu h PRO 176 Cb 1.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2pmu h PRO 176 CO 0.61 0.58 -0.10 1.15 -0.21 0.00 0.00 178.00 180.03 2pmu h THR 177 N 0.90 1.27 -0.86 -1.15 2.02 -2.00 -1.24 112.91 111.86 2pmu h THR 177 Ca 0.39 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2pmu h THR 177 Cb 0.26 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2pmu h THR 177 CO -0.21 0.44 0.54 -0.33 0.37 0.00 0.00 175.52 176.33 2pmu h GLU 178 N 0.85 1.15 -0.30 6.66 5.08 -1.69 -1.37 114.58 124.95 2pmu h GLU 178 Ca 0.13 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2pmu h GLU 178 Cb 0.66 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2pmu h GLU 178 CO 0.05 0.79 0.14 0.35 -1.00 0.00 0.00 179.01 179.33 2pmu h PHE 179 N 1.17 0.45 -0.83 4.33 3.04 -0.71 -0.38 116.94 124.00 2pmu h PHE 179 Ca 0.31 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.26 2pmu h PHE 179 Cb -0.09 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.24 2pmu h PHE 179 CO -0.01 0.42 0.54 1.15 -2.02 0.00 0.00 178.31 178.39 2pmu h THR 180 N 0.35 1.17 -0.41 4.41 2.02 -1.00 0.15 112.91 119.60 2pmu h THR 180 Ca 0.10 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2pmu h THR 180 Cb 0.15 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2pmu h THR 180 CO -0.01 0.20 0.15 0.25 0.37 0.00 0.00 175.52 176.48 2pmu h LEU 181 N 1.08 0.58 -0.25 2.58 5.85 -1.07 -1.05 115.31 123.03 2pmu h LEU 181 Ca 0.32 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2pmu h LEU 181 Cb -0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2pmu h LEU 181 CO -0.09 0.61 -0.06 0.25 -0.34 0.00 0.00 178.44 178.81 2pmu h LEU 182 N 0.52 0.49 -0.73 2.25 5.85 -0.52 -2.15 115.31 121.01 2pmu h LEU 182 Ca 0.14 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2pmu h LEU 182 Cb 0.22 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2pmu h LEU 182 CO -0.01 0.74 0.39 -0.09 -0.34 0.00 0.00 178.44 179.13 2pmu h ARG 183 N 0.24 0.66 -0.92 1.25 2.43 -0.58 -0.48 114.38 116.97 2pmu h ARG 183 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2pmu h ARG 183 Cb 0.52 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2pmu h ARG 183 CO 0.02 0.44 0.58 -0.92 -1.51 0.00 0.00 179.97 178.58 2pmu h TYR 184 N 0.68 1.19 -0.24 2.20 3.20 -0.80 -0.21 116.97 122.99 2pmu h TYR 184 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 2pmu h TYR 184 Cb 0.31 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2pmu h TYR 184 CO -0.09 0.77 -0.02 0.74 -1.64 0.00 0.00 178.16 177.93 2pmu h PHE 185 N 1.26 0.48 -0.36 -3.82 0.04 -0.71 -2.58 116.94 111.25 2pmu h PHE 185 Ca 0.33 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 2pmu h PHE 185 Cb -0.09 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 2pmu h PHE 185 CO 0.00 0.63 0.12 0.28 -0.60 0.00 0.00 178.31 178.74 2pmu h VAL 186 N 0.19 1.20 0.00 -0.55 2.07 -0.65 -0.33 116.25 118.18 2pmu h VAL 186 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2pmu h VAL 186 Cb 0.45 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2pmu h VAL 186 CO 0.02 0.23 0.00 0.16 0.02 0.00 0.00 177.57 177.99 2pmu h ILE 187 N 0.44 0.00 -0.52 4.57 3.07 -1.10 -2.25 117.51 121.72 2pmu h ILE 187 Ca 0.12 -0.43 -0.32 0.00 1.55 0.00 0.00 64.86 65.78 2pmu h ILE 187 Cb 0.23 1.36 -0.19 0.00 -0.27 0.00 0.00 36.82 37.95 2pmu h ILE 187 CO -0.01 0.00 -0.07 0.59 -1.05 0.00 0.00 178.15 177.61 2pmu n ASN 188 N -2.88 3.50 -4.68 2.16 3.02 -0.84 -5.05 115.26 110.50 2pmu n ASN 188 Ca 0.01 -3.78 -0.45 0.00 -0.03 0.00 0.00 54.58 50.33 2pmu n ASN 188 Cb 0.28 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.04 1.39 0.00 5.41 0.00 -0.20 -0.95 120.51 125.12 2pmu n ALA 189 Ca 0.40 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.26 2pmu n ALA 189 Cb 1.02 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 2.70 2.15 3.74 0.00 0.00 0.74 -5.01 105.19 109.51 2pmu n GLY 190 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.61 5.30 0.07 2.61 2.01 -0.13 -4.96 115.64 117.92 2pmu s THR 191 Ca 0.00 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2pmu s THR 191 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2pmu s THR 191 CO 0.00 0.40 1.06 -0.69 -0.69 0.00 0.00 174.62 174.70 2pmu s VAL 192 N 0.37 4.38 -0.18 3.82 1.01 -1.26 -4.56 120.40 123.97 2pmu s VAL 192 Ca 0.17 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.96 2pmu s VAL 192 Cb -0.13 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2pmu s VAL 192 CO 0.04 0.20 -0.18 -0.76 0.00 0.00 0.00 175.10 174.40 2pmu s LEU 193 N 0.60 2.23 0.74 3.92 1.43 0.06 -4.95 118.68 122.71 2pmu s LEU 193 Ca 0.53 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 2pmu s LEU 193 Cb -0.25 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2pmu s LEU 193 CO 0.30 0.02 1.07 -0.94 0.23 0.00 0.00 176.35 177.03 2pmu s SER 194 N 1.21 4.94 0.17 2.29 1.04 -1.25 -1.59 113.70 120.49 2pmu s SER 194 Ca 0.03 1.63 -0.13 0.00 0.48 0.00 0.00 55.95 57.95 2pmu s SER 194 Cb -0.14 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.62 2pmu s SER 194 CO -0.09 -1.73 1.78 0.11 0.98 0.00 0.00 173.24 174.28 2pmu h LYS 195 N -0.92 0.76 -0.98 4.02 1.57 -1.94 -1.83 116.57 117.25 2pmu h LYS 195 Ca -0.44 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2pmu h LYS 195 Cb 1.23 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 2pmu h LYS 195 CO 0.56 0.59 0.65 -1.35 -0.57 0.00 0.00 179.45 179.32 2pmu h PRO 196 N 0.73 1.25 -0.32 3.15 0.11 -1.96 0.18 132.00 135.15 2pmu h PRO 196 Ca 0.19 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2pmu h PRO 196 Cb 0.05 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 2pmu h PRO 196 CO -0.03 0.83 0.18 -0.22 -0.21 0.00 0.00 178.00 178.54 2pmu h LYS 197 N 1.29 0.44 -0.63 1.05 3.64 -1.87 -1.05 116.57 119.43 2pmu h LYS 197 Ca 0.37 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2pmu h LYS 197 Cb -0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2pmu h LYS 197 CO -0.10 0.37 0.09 0.82 -2.27 0.00 0.00 179.45 178.36 2pmu h ILE 198 N 0.40 1.26 -0.14 2.00 2.04 -1.00 -0.27 117.51 121.80 2pmu h ILE 198 Ca 0.11 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2pmu h ILE 198 Cb 0.06 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2pmu h ILE 198 CO -0.02 0.39 0.08 0.25 0.00 0.00 0.00 178.15 178.85 2pmu h LEU 199 N 0.97 0.17 -0.59 1.44 5.85 -0.40 0.11 115.31 122.86 2pmu h LEU 199 Ca 0.19 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 2pmu h LEU 199 Cb 0.46 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2pmu h LEU 199 CO 0.02 0.18 -0.56 -0.78 -0.34 0.00 0.00 178.44 176.95 2pmu h ASP 200 N 0.14 0.00 0.24 1.25 3.58 -1.09 0.02 116.42 120.57 2pmu h ASP 200 Ca 0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 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 -0.01 0.56 -0.11 -0.74 -2.88 0.00 0.00 179.24 176.06 2pmu h HIS 201 N 0.00 -0.30 0.17 0.28 2.76 -0.75 -3.37 115.15 113.94 2pmu h HIS 201 Ca -0.01 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 2pmu h HIS 201 Cb 1.17 0.10 0.03 0.00 1.55 0.00 0.00 27.41 30.25 2pmu h HIS 201 CO 0.00 0.08 -0.95 0.28 -1.30 0.00 0.00 177.93 176.04 2pmu h VAL 202 N -0.79 1.47 0.00 5.26 2.07 -1.00 -3.46 116.25 119.80 2pmu h VAL 202 Ca -0.03 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.91 2pmu h VAL 202 Cb 0.51 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2pmu h VAL 202 CO 0.05 0.74 0.00 0.79 0.02 0.00 0.00 177.57 179.17 2pmu n TRP 203 N -4.04 0.00 -3.59 1.57 8.01 -0.06 -5.08 117.44 114.25 2pmu n TRP 203 Ca -0.14 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.94 2pmu n TRP 203 Cb 0.88 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.15 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 2.63 1.24 0.56 -0.99 1.70 -0.84 -4.74 118.95 118.51 2pmu s ARG 204 Ca 0.00 -0.66 0.24 0.00 -0.47 0.00 0.00 55.73 54.84 2pmu s ARG 204 Cb 0.00 0.53 1.60 0.00 -0.57 0.00 0.00 34.95 36.51 2pmu s ARG 204 CO 0.00 -0.52 2.21 0.10 -1.08 0.00 0.00 175.30 176.01 2pmu h TYR 205 N 2.18 0.00 -0.58 5.89 -0.00 -1.82 -1.12 116.97 121.52 2pmu h TYR 205 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.41 2pmu h TYR 205 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 2pmu h TYR 205 CO 0.30 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.06 2pmu n ASP 206 N -4.12 4.54 -4.22 0.10 5.75 -1.26 -4.74 116.55 112.59 2pmu n ASP 206 Ca -0.03 -2.48 -0.43 0.00 -0.01 0.00 0.00 54.79 51.84 2pmu n ASP 206 Cb 0.10 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2pmu n ASP 206 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2pmu n PHE 207 N 0.93 4.17 0.00 2.11 7.35 -0.42 -4.88 117.46 126.72 2pmu n PHE 207 Ca 0.24 -2.98 0.00 0.00 -0.76 0.00 0.00 57.45 53.94 2pmu n PHE 207 Cb 0.87 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 38.30 2pmu n PHE 207 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pmu n GLY 208 N 4.36 1.01 0.00 7.13 0.00 -1.26 -4.84 105.19 111.58 2pmu n GLY 208 Ca 0.46 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2pmu n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pmu n GLY 209 N 5.00 0.24 0.98 -0.02 0.00 -1.26 -4.87 105.19 105.26 2pmu n GLY 209 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 2pmu n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pmu n ASP 210 N 0.00 1.17 -4.91 1.61 8.00 -1.26 -5.06 116.55 116.10 2pmu n ASP 210 Ca 0.00 0.15 -0.31 0.00 0.71 0.00 0.00 54.79 55.34 2pmu n ASP 210 Cb 0.00 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 2pmu n ASP 210 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pmu s VAL 211 N -2.06 5.33 -0.09 2.53 0.11 -1.26 -5.06 120.40 119.90 2pmu s VAL 211 Ca -0.02 -0.27 -0.26 0.00 -2.93 0.00 0.00 61.98 58.50 2pmu s VAL 211 Cb 0.00 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2pmu s VAL 211 CO 0.03 0.12 0.84 0.21 -3.33 0.00 0.00 175.10 172.97 2pmu s ASN 212 N -2.47 7.09 0.42 3.54 3.84 -1.26 -4.92 114.94 121.18 2pmu s ASN 212 Ca 0.36 1.33 0.14 0.00 0.21 0.00 0.00 52.86 54.90 2pmu s ASN 212 Cb -0.13 -2.48 0.89 0.00 -0.55 0.00 0.00 41.25 38.99 2pmu s ASN 212 CO 0.27 -0.27 1.92 1.62 -2.79 0.00 0.00 177.10 177.85 2pmu h VAL 213 N 4.94 1.16 0.08 -5.21 3.04 -1.89 -1.64 116.25 116.72 2pmu h VAL 213 Ca -0.36 -0.93 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 2pmu h VAL 213 Cb 1.18 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2pmu h VAL 213 CO 0.79 0.26 -0.04 0.58 -1.01 0.00 0.00 177.57 178.15 2pmu h VAL 214 N 0.00 1.14 -0.55 1.51 2.07 -1.94 -0.56 116.25 117.91 2pmu h VAL 214 Ca -0.00 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.73 2pmu h VAL 214 Cb 0.49 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 2pmu h VAL 214 CO 0.03 0.22 0.13 -0.33 0.02 0.00 0.00 177.57 177.64 2pmu h GLU 215 N -0.52 0.26 0.01 1.57 5.08 -1.92 -0.18 114.58 118.87 2pmu h GLU 215 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2pmu h GLU 215 Cb 0.44 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2pmu h GLU 215 CO 0.02 0.17 -0.13 0.77 -1.00 0.00 0.00 179.01 178.84 2pmu h SER 216 N 0.27 -0.37 0.41 1.42 0.02 -1.12 -1.92 113.55 112.26 2pmu h SER 216 Ca 0.28 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2pmu h SER 216 Cb 0.39 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2pmu h SER 216 CO -0.35 -0.18 -0.60 1.88 -1.14 0.00 0.00 176.83 176.44 2pmu h TYR 217 N -0.22 0.25 -0.82 3.45 -1.99 -0.78 -0.67 116.97 116.20 2pmu h TYR 217 Ca 0.04 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.72 2pmu h TYR 217 Cb 0.27 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.91 2pmu h TYR 217 CO -0.18 0.74 0.52 0.28 -0.00 0.00 0.00 178.16 179.51 2pmu h VAL 218 N 0.14 1.10 -0.33 -2.88 2.07 -0.95 0.10 116.25 115.50 2pmu h VAL 218 Ca -0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2pmu h VAL 218 Cb 1.09 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2pmu h VAL 218 CO 0.09 0.18 0.14 0.28 0.02 0.00 0.00 177.57 178.28 2pmu h SER 219 N 0.99 0.45 -0.39 0.57 0.02 -0.77 0.50 113.55 114.92 2pmu h SER 219 Ca 0.33 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2pmu h SER 219 Cb 0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2pmu h SER 219 CO -0.13 0.49 0.25 1.88 -1.14 0.00 0.00 176.83 178.19 2pmu h TYR 220 N 0.39 0.49 -0.56 3.45 0.05 -0.89 -1.43 116.97 118.46 2pmu h TYR 220 Ca 0.11 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 2pmu h TYR 220 Cb 0.18 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2pmu h TYR 220 CO -0.01 0.31 0.12 1.25 -1.05 0.00 0.00 178.16 178.79 2pmu h LEU 221 N 0.52 0.86 -0.91 3.88 5.85 -0.77 -2.33 115.31 122.42 2pmu h LEU 221 Ca 0.14 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2pmu h LEU 221 Cb -0.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2pmu h LEU 221 CO -0.03 0.88 0.49 0.03 -0.34 0.00 0.00 178.44 179.47 2pmu h ARG 222 N 0.81 1.27 -0.03 1.25 3.08 -0.61 0.12 114.38 120.25 2pmu h ARG 222 Ca 0.17 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2pmu h ARG 222 Cb 0.37 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2pmu h ARG 222 CO 0.00 0.93 -0.26 0.00 -1.07 0.00 0.00 179.97 179.58 2pmu h ARG 223 N 1.27 0.05 0.20 0.04 3.08 -1.00 0.26 114.38 118.28 2pmu h ARG 223 Ca 0.32 -0.02 -0.34 0.00 0.07 0.00 0.00 59.98 60.01 2pmu h ARG 223 Cb 0.03 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.09 2pmu h ARG 223 CO -0.05 0.31 -1.62 0.87 -1.07 0.00 0.00 179.97 178.41 2pmu h LYS 224 N 0.05 0.43 0.00 0.04 1.79 -0.84 -3.43 116.57 114.60 2pmu h LYS 224 Ca 0.01 -0.73 -0.00 0.00 -2.18 0.00 0.00 60.65 57.75 2pmu h LYS 224 Cb 0.48 0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2pmu h LYS 224 CO 0.03 1.34 -1.05 1.51 -1.08 0.00 0.00 179.45 180.20 2pmu n ILE 225 N -3.62 0.01 -3.01 1.86 0.13 0.35 -4.81 119.36 110.28 2pmu n ILE 225 Ca -0.21 -0.02 -0.28 0.00 -1.10 0.00 0.00 62.75 61.14 2pmu n ILE 225 Cb 1.08 0.33 -0.04 0.00 -0.84 0.00 0.00 39.64 40.17 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 -1.59 4.61 -0.38 9.51 2.03 0.07 -4.67 116.55 126.13 2pmu n ASP 226 Ca -0.00 -3.64 0.06 0.00 0.52 0.00 0.00 54.79 51.73 2pmu n ASP 226 Cb 0.08 -0.63 0.02 0.00 -0.72 0.00 0.00 41.12 39.86 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 -0.02 0.00 -1.30 5.18 -2.24 -1.26 -4.83 114.28 109.82 2pmu n THR 227 Ca 0.32 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 2pmu n THR 227 Cb 0.38 1.20 0.13 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.38 1.62 0.48 3.38 0.00 -1.26 -4.92 107.32 105.24 2pmu s GLY 228 Ca 0.12 -0.10 0.15 0.00 0.00 0.00 0.00 44.72 44.89 2pmu s GLY 228 CO 0.25 0.37 2.07 0.83 0.00 0.00 0.00 173.10 176.63 2pmu h GLU 229 N -1.43 0.20 -4.92 2.90 5.08 -2.03 -3.36 114.58 111.03 2pmu h GLU 229 Ca -0.49 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.21 2pmu h GLU 229 Cb 1.28 -0.05 -0.22 0.00 0.50 0.00 0.00 28.75 30.26 2pmu h GLU 229 CO 0.56 0.13 -0.61 0.15 -1.00 0.00 0.00 179.01 178.25 2pmu s LYS 230 N -5.22 3.62 0.31 2.33 1.02 -1.26 -5.09 119.74 115.45 2pmu s LYS 230 Ca -0.06 -0.50 -0.26 0.00 0.02 0.00 0.00 55.97 55.16 2pmu s LYS 230 Cb 0.18 -3.39 -0.10 0.00 -0.52 0.00 0.00 37.83 34.00 2pmu s LYS 230 CO 0.71 -0.23 0.93 1.03 -0.92 0.00 0.00 175.35 176.87 2pmu s ARG 231 N 1.63 4.58 -0.06 1.68 0.52 -1.26 -4.91 118.95 121.13 2pmu s ARG 231 Ca 0.06 1.31 0.12 0.00 -0.52 0.00 0.00 55.73 56.69 2pmu s ARG 231 Cb -0.15 -2.85 -0.18 0.00 0.52 0.00 0.00 34.95 32.29 2pmu s ARG 231 CO 0.05 0.31 0.18 1.28 0.02 0.00 0.00 175.30 177.14 2pmu n LEU 232 N 0.67 0.00 -4.33 2.53 4.77 -1.26 -4.25 117.00 115.12 2pmu n LEU 232 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 2pmu n LEU 232 Cb 0.50 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 2pmu n LEU 232 CO 0.45 0.12 0.01 -0.22 -1.33 0.00 0.00 177.39 176.42 2pmu s LEU 233 N -4.29 5.62 -0.00 2.23 0.20 -1.26 -0.89 118.68 120.29 2pmu s LEU 233 Ca -0.05 -1.50 0.03 0.00 0.69 0.00 0.00 54.13 53.30 2pmu s LEU 233 Cb 0.06 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2pmu s LEU 233 CO 0.51 -0.66 -0.05 -1.00 -0.29 0.00 0.00 176.35 174.86 2pmu s HIS 234 N 1.56 2.94 -0.12 5.38 3.76 0.51 -4.96 115.29 124.36 2pmu s HIS 234 Ca 0.04 -0.00 -0.17 0.00 -0.15 0.00 0.00 55.06 54.77 2pmu s HIS 234 Cb -0.25 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2pmu s HIS 234 CO 0.04 0.40 0.43 0.99 -0.85 0.00 0.00 174.74 175.75 2pmu s THR 235 N -1.01 5.20 -0.44 1.30 2.01 -1.26 -1.18 115.64 120.26 2pmu s THR 235 Ca 0.18 0.86 -0.01 0.00 0.31 0.00 0.00 61.69 63.02 2pmu s THR 235 Cb -0.11 -3.77 0.12 0.00 0.01 0.00 0.00 72.50 68.74 2pmu s THR 235 CO 0.08 0.35 0.22 -0.76 -0.69 0.00 0.00 174.62 173.82 2pmu s LEU 236 N 0.49 5.11 0.15 4.42 1.43 0.11 -4.99 118.68 125.40 2pmu s LEU 236 Ca 0.24 -2.25 -0.34 0.00 -1.03 0.00 0.00 54.13 50.74 2pmu s LEU 236 Cb -0.15 -1.79 -0.15 0.00 0.03 0.00 0.00 46.19 44.14 2pmu s LEU 236 CO 0.09 -0.47 1.40 0.54 0.23 0.00 0.00 176.35 178.14 2pmu n ARG 237 N 4.26 1.61 -0.40 1.70 3.00 -1.26 -0.76 116.66 124.81 2pmu n ARG 237 Ca 0.01 0.58 0.00 0.00 -0.01 0.00 0.00 57.85 58.43 2pmu n ARG 237 Cb 0.40 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.62 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 2.66 1.41 0.30 -0.13 0.00 -1.26 -4.72 105.19 103.45 2pmu n GLY 238 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 0.16 0.00 1.61 0.31 0.06 -5.08 118.33 113.38 2pmu n VAL 239 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2pmu n VAL 239 Cb 0.00 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 3.19 0.35 3.12 2.92 0.00 -0.10 -3.97 105.19 110.70 2pmu n GLY 240 Ca -0.05 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 0.85 -0.05 1.61 2.02 -0.62 0.07 117.35 117.22 2pmu s TYR 241 Ca 0.00 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2pmu s TYR 241 Cb 0.00 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 2pmu s TYR 241 CO 0.00 -0.07 0.13 0.54 -1.57 0.00 0.00 175.55 174.58 2pmu s VAL 242 N -2.11 -0.00 -0.25 0.71 0.11 -0.32 -0.76 120.40 117.77 2pmu s VAL 242 Ca -0.01 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 2pmu s VAL 242 Cb -0.05 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2pmu s VAL 242 CO -0.01 0.01 0.51 -0.22 -3.33 0.00 0.00 175.10 172.06 2pmu s LEU 243 N 0.18 4.07 0.11 2.54 2.96 -1.26 -0.36 118.68 126.92 2pmu s LEU 243 Ca -0.01 0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 54.19 2pmu s LEU 243 Cb -0.02 -2.67 0.08 0.00 0.50 0.00 0.00 46.19 44.08 2pmu s LEU 243 CO -0.00 -0.26 0.73 0.00 -1.32 0.00 0.00 176.35 175.49 2pmu s ARG 244 N 2.18 1.15 0.14 1.98 1.70 -0.07 -0.18 118.95 125.84 2pmu s ARG 244 Ca 0.22 -0.46 -0.18 0.00 -0.47 0.00 0.00 55.73 54.83 2pmu s ARG 244 Cb -0.16 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 2pmu s ARG 244 CO 0.09 -0.51 0.61 -1.21 -1.08 0.00 0.00 175.30 173.20 2pmu s GLU 245 N -3.51 4.15 0.00 3.89 2.02 -1.26 -4.33 118.70 119.66 2pmu s GLU 245 Ca 0.04 0.70 0.18 0.00 0.02 0.00 0.00 54.97 55.91 2pmu s GLU 245 Cb -0.01 -3.05 1.10 0.00 0.10 0.00 0.00 34.13 32.27 2pmu s GLU 245 CO -0.09 0.52 1.50 -2.30 0.02 0.00 0.00 175.26 174.91