#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1b h GLN 147 N 0.00 0.00 -0.62 9.51 1.08 -2.05 -1.24 115.11 121.80 1a1b h GLN 147 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1a1b h GLN 147 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1a1b h GLN 147 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1a1b n ALA 148 N -2.38 2.46 -2.58 3.87 0.00 -1.26 -4.93 120.51 115.70 1a1b n ALA 148 Ca 0.02 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.94 1a1b n ALA 148 Cb 0.34 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1a1b n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a1b s GLU 149 N -1.24 4.43 0.39 0.00 0.41 -0.47 -4.94 118.70 117.29 1a1b s GLU 149 Ca 0.41 1.55 0.14 0.00 -0.41 0.00 0.00 54.97 56.66 1a1b s GLU 149 Cb 0.22 -3.50 0.98 0.00 -1.78 0.00 0.00 34.13 30.05 1a1b s GLU 149 CO 0.27 -0.30 1.85 0.93 -0.49 0.00 0.00 175.26 177.53 1a1b h GLU 150 N 7.11 0.50 -0.01 1.61 4.39 -1.91 -1.28 114.58 124.99 1a1b h GLU 150 Ca -0.36 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1a1b h GLU 150 Cb 1.18 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1a1b h GLU 150 CO 0.84 0.33 -0.09 -2.67 -1.16 0.00 0.00 179.01 176.26 1a1b n TRP 151 N -4.55 0.00 -3.18 4.33 4.27 -1.26 -4.81 117.44 112.24 1a1b n TRP 151 Ca 0.19 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.39 1a1b n TRP 151 Cb 0.62 -0.12 -0.07 0.00 -1.36 0.00 0.00 31.31 30.38 1a1b n TRP 151 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1a1b s TYR 152 N -2.32 3.20 -1.38 -2.67 5.04 -0.48 -1.46 117.35 117.27 1a1b s TYR 152 Ca 0.33 0.39 0.17 0.00 -2.44 0.00 0.00 57.07 55.52 1a1b s TYR 152 Cb 0.20 -2.95 0.49 0.00 0.35 0.00 0.00 41.96 40.05 1a1b s TYR 152 CO 0.44 -0.50 1.41 1.19 -1.34 0.00 0.00 175.55 176.75 1a1b n PHE 153 N 5.80 0.76 0.00 4.97 3.01 0.61 -4.86 117.46 127.76 1a1b n PHE 153 Ca -0.03 -0.52 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1a1b n PHE 153 Cb 0.49 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1a1b n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a1b n GLY 154 N 1.03 2.58 1.71 1.37 0.00 -1.25 -3.61 105.19 107.02 1a1b n GLY 154 Ca 0.18 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1a1b n GLY 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a1b n LYS 155 N 13.13 2.25 -1.64 1.61 0.00 -1.26 -0.48 118.16 131.77 1a1b n LYS 155 Ca 0.00 -1.99 -0.33 0.00 -0.00 0.00 0.00 58.31 55.99 1a1b n LYS 155 Cb 0.00 -1.83 0.06 0.00 -0.00 0.00 0.00 35.03 33.27 1a1b n LYS 155 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1a1b s ILE 156 N -2.15 2.96 0.75 0.58 -4.36 -1.24 -4.96 121.20 112.78 1a1b s ILE 156 Ca 0.37 0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 61.13 1a1b s ILE 156 Cb 0.30 -2.97 0.09 0.00 1.25 0.00 0.00 42.46 41.13 1a1b s ILE 156 CO 0.08 -0.27 1.07 0.42 0.24 0.00 0.00 174.94 176.48 1a1b s THR 157 N -2.25 2.20 0.27 8.37 -4.23 -1.26 -4.71 115.64 114.02 1a1b s THR 157 Ca 0.69 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1a1b s THR 157 Cb -0.23 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1a1b s THR 157 CO 0.43 0.00 1.89 -0.09 -0.54 0.00 0.00 174.62 176.31 1a1b h ARG 158 N -0.77 1.16 -0.02 3.99 2.43 -1.96 0.48 114.38 119.69 1a1b h ARG 158 Ca -0.44 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 58.41 1a1b h ARG 158 Cb 1.30 -0.26 0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1a1b h ARG 158 CO 0.57 0.77 -0.99 0.00 -1.51 0.00 0.00 179.97 178.81 1a1b h ARG 159 N 1.20 0.66 -0.39 0.20 3.08 -1.99 -1.56 114.38 115.58 1a1b h ARG 159 Ca 0.43 -0.68 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1a1b h ARG 159 Cb 0.13 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1a1b h ARG 159 CO -0.16 1.28 0.21 0.93 -1.07 0.00 0.00 179.97 181.15 1a1b h GLU 160 N 0.39 0.41 -0.21 0.04 5.08 -1.72 -1.48 114.58 117.09 1a1b h GLU 160 Ca -0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1a1b h GLU 160 Cb 1.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1a1b h GLU 160 CO 0.19 0.27 -0.01 0.66 -1.00 0.00 0.00 179.01 179.13 1a1b h SER 161 N 0.43 0.28 -0.06 1.42 4.64 -0.73 0.13 113.55 119.67 1a1b h SER 161 Ca 0.16 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1a1b h SER 161 Cb 0.05 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1a1b h SER 161 CO -0.10 0.34 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.32 1a1b h GLU 162 N 0.30 0.65 -0.53 4.77 5.08 -0.81 -1.51 114.58 122.53 1a1b h GLU 162 Ca 0.07 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1a1b h GLU 162 Cb 0.22 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1a1b h GLU 162 CO 0.01 1.03 -0.01 0.00 -1.00 0.00 0.00 179.01 179.04 1a1b h ARG 163 N 0.50 0.93 0.00 2.33 3.08 0.17 -0.96 114.38 120.43 1a1b h ARG 163 Ca 0.01 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1a1b h ARG 163 Cb 1.12 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1a1b h ARG 163 CO 0.11 0.96 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.69 1a1b h LEU 164 N 0.81 0.00 0.09 3.04 3.38 -0.64 -3.29 115.31 118.68 1a1b h LEU 164 Ca 0.15 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.75 1a1b h LEU 164 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1a1b h LEU 164 CO 0.03 0.20 -2.10 0.18 0.09 0.00 0.00 178.44 176.84 1a1b n LEU 165 N -4.27 2.55 -4.55 1.67 4.77 -0.59 -4.75 117.00 111.83 1a1b n LEU 165 Ca -0.02 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1a1b n LEU 165 Cb 0.27 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 1a1b n LEU 165 CO 0.36 0.84 1.23 -0.76 -1.33 0.00 0.00 177.39 177.73 1a1b s LEU 166 N -6.83 3.22 -0.19 2.23 1.43 -0.39 -4.78 118.68 113.38 1a1b s LEU 166 Ca -0.24 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1a1b s LEU 166 Cb 0.07 -2.65 0.09 0.00 0.03 0.00 0.00 46.19 43.73 1a1b s LEU 166 CO 0.73 -1.87 0.41 0.21 0.23 0.00 0.00 176.35 176.07 1a1b s ASN 167 N 4.33 -0.26 0.00 2.29 3.84 -1.26 -4.89 114.94 118.99 1a1b s ASN 167 Ca 0.42 0.97 0.03 0.00 0.21 0.00 0.00 52.86 54.49 1a1b s ASN 167 Cb -0.09 1.27 0.18 0.00 -0.55 0.00 0.00 41.25 42.06 1a1b s ASN 167 CO 0.18 -0.23 0.87 0.00 -2.79 0.00 0.00 177.10 175.12 1a1b n ALA 168 N 5.27 2.25 -0.98 1.71 0.00 -1.26 -2.06 120.51 125.43 1a1b n ALA 168 Ca -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1a1b n ALA 168 Cb 0.50 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.99 1a1b n ALA 168 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a1b n GLU 169 N -0.57 1.38 -4.57 0.00 0.00 -1.26 -5.03 120.64 110.61 1a1b n GLU 169 Ca 0.02 -2.05 -0.34 0.00 0.00 0.00 0.00 57.16 54.80 1a1b n GLU 169 Cb 0.01 -1.21 -0.11 0.00 0.00 0.00 0.00 31.44 30.12 1a1b n GLU 169 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1a1b s ASN 170 N -2.11 4.71 0.66 -1.84 0.01 -0.88 -5.10 114.94 110.40 1a1b s ASN 170 Ca 0.20 -0.03 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 1a1b s ASN 170 Cb 0.17 -1.32 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1a1b s ASN 170 CO 0.02 0.32 1.26 -2.16 -1.51 0.00 0.00 177.10 175.03 1a1b s PRO 171 N -0.58 2.49 0.23 -0.60 0.04 -1.26 -4.92 135.00 130.39 1a1b s PRO 171 Ca 0.09 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 1a1b s PRO 171 Cb -0.12 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1a1b s PRO 171 CO 0.02 -1.62 1.29 0.54 0.04 0.00 0.00 177.00 177.27 1a1b n ARG 172 N -2.10 1.71 -0.28 4.56 1.74 -1.26 -2.10 116.66 118.93 1a1b n ARG 172 Ca 0.15 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1a1b n ARG 172 Cb 0.49 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1a1b n ARG 172 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a1b n GLY 173 N 1.94 0.72 3.77 -0.13 0.00 -0.66 -4.59 105.19 106.24 1a1b n GLY 173 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1a1b n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a1b s THR 174 N -2.35 3.04 0.28 2.61 2.01 -0.89 -0.60 115.64 119.74 1a1b s THR 174 Ca 0.00 1.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 1a1b s THR 174 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1a1b s THR 174 CO 0.00 0.22 0.38 0.72 -0.69 0.00 0.00 174.62 175.25 1a1b s PHE 175 N -1.19 0.96 0.14 4.92 -0.71 -0.74 -0.75 117.98 120.61 1a1b s PHE 175 Ca 0.49 -1.20 -0.24 0.00 -1.04 0.00 0.00 56.93 54.94 1a1b s PHE 175 Cb -0.36 -0.18 0.07 0.00 -1.21 0.00 0.00 43.02 41.35 1a1b s PHE 175 CO 0.47 -0.96 0.62 -0.48 -1.34 0.00 0.00 175.22 173.53 1a1b s LEU 176 N -3.17 -0.56 -0.11 -1.99 0.05 -0.78 -0.80 118.68 111.31 1a1b s LEU 176 Ca 0.31 0.03 0.01 0.00 0.05 0.00 0.00 54.13 54.53 1a1b s LEU 176 Cb 0.01 2.56 -0.01 0.00 -2.05 0.00 0.00 46.19 46.70 1a1b s LEU 176 CO 0.16 -0.93 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.18 1a1b s VAL 177 N -3.61 2.81 0.28 1.48 1.01 -0.53 -1.45 120.40 120.39 1a1b s VAL 177 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1a1b s VAL 177 Cb -0.01 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1a1b s VAL 177 CO -0.12 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.73 1a1b s ARG 178 N 0.22 1.53 0.41 2.72 1.70 -0.65 -0.28 118.95 124.60 1a1b s ARG 178 Ca -0.10 -1.86 -0.23 0.00 -0.47 0.00 0.00 55.73 53.07 1a1b s ARG 178 Cb -0.16 0.25 -0.10 0.00 -0.57 0.00 0.00 34.95 34.38 1a1b s ARG 178 CO 0.06 -0.53 0.98 -1.21 -1.08 0.00 0.00 175.30 173.52 1a1b s GLU 179 N -3.76 4.24 0.06 3.89 2.02 0.37 -1.11 118.70 124.41 1a1b s GLU 179 Ca 0.39 1.27 -0.30 0.00 0.02 0.00 0.00 54.97 56.35 1a1b s GLU 179 Cb 0.04 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.85 1a1b s GLU 179 CO 0.21 -0.03 1.11 0.45 0.02 0.00 0.00 175.26 177.01 1a1b s SER 180 N -1.92 7.21 0.10 -0.19 0.15 -0.27 -4.67 113.70 114.11 1a1b s SER 180 Ca 0.59 1.91 -0.13 0.00 0.70 0.00 0.00 55.95 59.02 1a1b s SER 180 Cb -0.14 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.45 1a1b s SER 180 CO 0.19 -0.36 1.33 -0.33 1.20 0.00 0.00 173.24 175.27 1a1b h GLU 181 N 6.54 0.80 -0.29 5.44 5.08 -1.91 -3.36 114.58 126.88 1a1b h GLU 181 Ca -0.42 -0.60 -0.19 0.00 -1.00 0.00 0.00 59.36 57.16 1a1b h GLU 181 Cb 1.22 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1a1b h GLU 181 CO 0.78 1.21 -0.55 1.15 -1.00 0.00 0.00 179.01 180.60 1a1b h THR 182 N 0.54 1.27 -3.74 1.13 2.02 -1.98 -3.41 112.91 108.75 1a1b h THR 182 Ca -0.03 -1.74 -0.67 0.00 0.77 0.00 0.00 66.41 64.74 1a1b h THR 182 Cb 1.29 1.63 -0.36 0.00 -1.74 0.00 0.00 68.15 68.98 1a1b h THR 182 CO 0.14 0.57 -0.80 -0.89 0.37 0.00 0.00 175.52 174.91 1a1b s THR 183 N -4.12 2.21 0.35 3.16 2.01 -1.26 -5.08 115.64 112.91 1a1b s THR 183 Ca -0.11 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.10 1a1b s THR 183 Cb 0.10 -2.25 -0.11 0.00 0.01 0.00 0.00 72.50 70.25 1a1b s THR 183 CO 0.89 0.05 1.54 -1.59 -0.69 0.00 0.00 174.62 174.83 1a1b s LYS 184 N 1.14 4.10 0.00 4.92 0.00 -1.26 -2.23 119.74 126.41 1a1b s LYS 184 Ca -0.07 2.60 0.00 0.00 0.00 0.00 0.00 55.97 58.51 1a1b s LYS 184 Cb -0.19 -2.98 0.00 0.00 0.00 0.00 0.00 37.83 34.66 1a1b s LYS 184 CO -0.06 -0.60 0.00 0.41 0.00 0.00 0.00 175.35 175.10 1a1b n GLY 185 N 1.14 2.59 3.96 0.59 0.00 -1.26 -5.04 105.19 107.17 1a1b n GLY 185 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1a1b n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a1b s ALA 186 N -2.17 3.83 0.53 4.61 0.00 -0.95 -4.62 121.76 123.00 1a1b s ALA 186 Ca 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1a1b s ALA 186 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.23 1a1b s ALA 186 CO 0.00 0.07 0.28 0.66 0.00 0.00 0.00 175.76 176.77 1a1b n TYR 187 N -1.63 -0.03 -3.70 0.00 4.01 -0.35 -1.11 117.16 114.35 1a1b n TYR 187 Ca -0.06 -2.37 -0.11 0.00 -0.16 0.00 0.00 57.90 55.20 1a1b n TYR 187 Cb 0.57 -0.41 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 1a1b n TYR 187 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a1b s LEU 189 N 1.17 4.28 -0.18 0.00 2.96 0.42 -1.63 118.68 125.69 1a1b s LEU 189 Ca -0.08 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1a1b s LEU 189 Cb -0.07 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1a1b s LEU 189 CO -0.10 -0.18 0.02 -0.44 -1.32 0.00 0.00 176.35 174.33 1a1b s SER 190 N 1.73 5.22 -0.05 3.68 0.01 -0.53 -0.78 113.70 122.98 1a1b s SER 190 Ca 0.08 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1a1b s SER 190 Cb -0.17 -1.89 0.01 0.00 0.21 0.00 0.00 66.02 64.19 1a1b s SER 190 CO 0.11 0.14 -0.09 -0.69 0.41 0.00 0.00 173.24 173.11 1a1b s VAL 191 N 0.58 0.88 0.32 3.43 1.01 -0.59 -1.86 120.40 124.16 1a1b s VAL 191 Ca 0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1a1b s VAL 191 Cb -0.14 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 1a1b s VAL 191 CO 0.02 0.29 0.94 -0.94 0.00 0.00 0.00 175.10 175.41 1a1b s SER 192 N 0.63 7.34 0.19 3.32 1.04 0.07 -0.52 113.70 125.76 1a1b s SER 192 Ca -0.11 1.83 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1a1b s SER 192 Cb -0.14 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1a1b s SER 192 CO 0.02 -0.06 0.13 -0.62 0.98 0.00 0.00 173.24 173.68 1a1b s ASP 193 N -1.61 0.18 -0.12 7.02 2.15 0.90 -1.66 116.67 123.52 1a1b s ASP 193 Ca 0.50 -1.33 -0.06 0.00 0.43 0.00 0.00 52.55 52.10 1a1b s ASP 193 Cb -0.19 0.37 0.05 0.00 -0.30 0.00 0.00 42.92 42.85 1a1b s ASP 193 CO 0.24 -0.83 0.26 0.12 -0.17 0.00 0.00 175.17 174.80 1a1b s PHE 194 N -4.13 -0.37 0.09 -5.34 5.36 -1.26 -2.16 117.98 110.17 1a1b s PHE 194 Ca 0.35 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 1a1b s PHE 194 Cb 0.07 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.77 1a1b s PHE 194 CO 0.10 -0.27 -0.09 0.16 -1.46 0.00 0.00 175.22 173.66 1a1b s ASP 195 N 1.48 1.26 0.22 6.13 1.47 -1.09 -4.99 116.67 121.15 1a1b s ASP 195 Ca -0.08 -0.81 -0.14 0.00 1.18 0.00 0.00 52.55 52.71 1a1b s ASP 195 Cb -0.10 0.03 0.26 0.00 -0.34 0.00 0.00 42.92 42.77 1a1b s ASP 195 CO -0.09 -0.30 1.60 -0.55 0.68 0.00 0.00 175.17 176.51 1a1b h ASN 196 N 3.61 -0.84 0.25 2.11 7.08 -2.01 0.41 115.58 126.19 1a1b h ASN 196 Ca -0.37 0.23 -0.01 0.00 -3.08 0.00 0.00 56.30 53.07 1a1b h ASN 196 Cb 1.19 0.50 0.00 0.00 -2.08 0.00 0.00 38.32 37.93 1a1b h ASN 196 CO 0.53 -0.26 -0.12 0.00 -2.08 0.00 0.00 177.43 175.50 1a1b h ALA 197 N 1.55 -0.37 0.00 4.14 0.00 -2.04 -3.33 119.26 119.21 1a1b h ALA 197 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a1b h ALA 197 Cb 0.55 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a1b h ALA 197 CO -0.76 -0.35 0.00 1.57 0.00 0.00 0.00 179.25 179.71 1a1b h LYS 198 N -0.98 0.00 0.00 0.00 2.10 -1.98 -3.49 116.57 112.23 1a1b h LYS 198 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1a1b h LYS 198 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1a1b h LYS 198 CO 0.06 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.92 1a1b n GLY 199 N 1.02 0.26 3.74 0.07 0.00 0.14 -4.74 105.19 105.68 1a1b n GLY 199 Ca 0.04 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1a1b n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a1b s LEU 200 N 0.00 4.35 0.16 0.99 1.43 -1.26 -2.66 118.68 121.69 1a1b s LEU 200 Ca 0.00 2.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.76 1a1b s LEU 200 Cb 0.00 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.66 1a1b s LEU 200 CO 0.00 -0.91 0.65 0.54 0.23 0.00 0.00 176.35 176.86 1a1b s ASN 201 N 0.69 -0.50 -0.10 2.29 2.20 -0.92 -5.00 114.94 113.59 1a1b s ASN 201 Ca 0.66 -0.08 0.00 0.00 -0.94 0.00 0.00 52.86 52.50 1a1b s ASN 201 Cb -0.48 0.59 -0.02 0.00 -2.00 0.00 0.00 41.25 39.34 1a1b s ASN 201 CO 0.43 -0.98 -0.09 -0.69 -2.94 0.00 0.00 177.10 172.83 1a1b s VAL 202 N -3.70 3.46 0.02 3.54 1.01 -1.26 -0.07 120.40 123.40 1a1b s VAL 202 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a1b s VAL 202 Cb -0.02 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1a1b s VAL 202 CO -0.10 0.55 0.16 -0.54 0.00 0.00 0.00 175.10 175.18 1a1b s LYS 203 N -0.23 3.31 -0.09 2.72 -0.14 0.32 -4.91 119.74 120.72 1a1b s LYS 203 Ca 0.02 -0.42 0.03 0.00 -1.36 0.00 0.00 55.97 54.25 1a1b s LYS 203 Cb -0.13 -3.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 1a1b s LYS 203 CO 0.03 0.64 -0.20 -1.01 -0.76 0.00 0.00 175.35 174.05 1a1b s HIS 204 N -1.36 2.14 -0.14 3.18 3.76 -1.26 -1.54 115.29 120.06 1a1b s HIS 204 Ca 0.29 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1a1b s HIS 204 Cb -0.13 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.12 1a1b s HIS 204 CO 0.21 -0.36 -0.18 0.71 -0.85 0.00 0.00 174.74 174.27 1a1b s TYR 205 N 0.44 2.42 0.29 1.40 2.02 0.04 -4.97 117.35 118.98 1a1b s TYR 205 Ca -0.17 -1.30 -0.29 0.00 -0.37 0.00 0.00 57.07 54.95 1a1b s TYR 205 Cb -0.17 -1.70 -0.09 0.00 -0.40 0.00 0.00 41.96 39.60 1a1b s TYR 205 CO 0.07 -0.65 1.06 0.21 -1.57 0.00 0.00 175.55 174.67 1a1b s LYS 206 N 1.14 4.62 -0.17 -0.62 2.20 -1.26 -0.44 119.74 125.21 1a1b s LYS 206 Ca -0.01 1.69 0.01 0.00 -0.36 0.00 0.00 55.97 57.30 1a1b s LYS 206 Cb -0.14 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1a1b s LYS 206 CO -0.07 0.22 -0.17 0.42 -0.36 0.00 0.00 175.35 175.39 1a1b s ILE 207 N -1.25 2.39 0.09 5.43 1.01 -0.11 -4.57 121.20 124.19 1a1b s ILE 207 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1a1b s ILE 207 Cb -0.29 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1a1b s ILE 207 CO 0.37 0.52 0.03 -0.13 0.00 0.00 0.00 174.94 175.73 1a1b s ARG 208 N 1.03 2.67 -0.21 2.79 1.81 -0.61 -1.21 118.95 125.22 1a1b s ARG 208 Ca -0.01 -0.79 -0.06 0.00 -1.72 0.00 0.00 55.73 53.14 1a1b s ARG 208 Cb -0.15 -2.60 -0.03 0.00 -0.45 0.00 0.00 34.95 31.72 1a1b s ARG 208 CO -0.05 0.55 0.04 0.21 -0.68 0.00 0.00 175.30 175.36 1a1b s LYS 209 N -2.37 3.72 0.39 3.54 2.20 -1.26 -1.39 119.74 124.58 1a1b s LYS 209 Ca 0.27 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 55.17 1a1b s LYS 209 Cb -0.12 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 1a1b s LYS 209 CO 0.20 0.03 1.09 -0.51 -0.36 0.00 0.00 175.35 175.79 1a1b s LEU 210 N 1.00 4.18 0.45 5.43 1.43 0.84 -4.95 118.68 127.05 1a1b s LEU 210 Ca 0.03 2.15 0.13 0.00 -1.03 0.00 0.00 54.13 55.41 1a1b s LEU 210 Cb -0.14 -4.10 1.00 0.00 0.03 0.00 0.00 46.19 42.98 1a1b s LEU 210 CO 0.02 -0.54 2.02 -2.24 0.23 0.00 0.00 176.35 175.84 1a1b h ASP 211 N 2.61 0.11 0.77 2.29 2.03 -1.98 0.31 116.42 122.56 1a1b h ASP 211 Ca -0.48 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1a1b h ASP 211 Cb 1.22 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1a1b h ASP 211 CO 0.63 0.20 0.00 0.77 -1.03 0.00 0.00 179.24 179.81 1a1b h SER 212 N 0.12 0.00 0.00 4.15 4.64 -2.05 -3.48 113.55 116.93 1a1b h SER 212 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1a1b h SER 212 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1a1b h SER 212 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1a1b n GLY 213 N -0.12 4.01 3.26 -0.77 0.00 0.11 -5.14 105.19 106.54 1a1b n GLY 213 Ca 0.01 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1a1b n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a1b n GLY 214 N 0.00 -3.20 3.14 -0.02 0.00 -1.25 -4.43 105.19 99.42 1a1b n GLY 214 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1a1b n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a1b s PHE 215 N -2.19 1.21 0.05 1.61 0.08 0.52 -0.12 117.98 119.16 1a1b s PHE 215 Ca 0.63 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1a1b s PHE 215 Cb -0.15 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.59 1a1b s PHE 215 CO 0.57 0.03 0.30 1.52 -0.10 0.00 0.00 175.22 177.53 1a1b s TYR 216 N -0.83 -0.08 -0.08 0.36 1.13 -0.48 -1.57 117.35 115.79 1a1b s TYR 216 Ca 0.02 -0.09 -0.00 0.00 -1.41 0.00 0.00 57.07 55.59 1a1b s TYR 216 Cb -0.08 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 1a1b s TYR 216 CO 0.01 -0.51 -0.08 -0.89 -2.51 0.00 0.00 175.55 171.57 1a1b n ILE 217 N 0.50 0.47 -4.48 -3.49 5.41 -1.26 -1.57 119.36 114.94 1a1b n ILE 217 Ca -0.18 -0.17 -0.24 0.00 1.00 0.00 0.00 62.75 63.16 1a1b n ILE 217 Cb 0.60 -0.96 -0.09 0.00 -0.71 0.00 0.00 39.64 38.49 1a1b n ILE 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1a1b s THR 218 N -2.16 0.63 -1.59 1.39 -4.23 -1.26 -4.99 115.64 103.41 1a1b s THR 218 Ca -0.11 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.70 1a1b s THR 218 Cb 0.03 -2.43 0.63 0.00 1.34 0.00 0.00 72.50 72.07 1a1b s THR 218 CO 0.18 0.00 2.08 -1.54 -0.54 0.00 0.00 174.62 174.80 1a1b n SER 219 N -1.18 0.00 -0.11 3.99 3.41 -1.26 -3.73 113.62 114.75 1a1b n SER 219 Ca -0.04 -0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.06 1a1b n SER 219 Cb 0.65 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1a1b n SER 219 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a1b h ARG 220 N 0.00 0.81 -3.34 4.33 2.43 -1.98 -3.46 114.38 113.17 1a1b h ARG 220 Ca 0.00 -0.42 -0.14 0.00 -0.81 0.00 0.00 59.98 58.62 1a1b h ARG 220 Cb 0.20 0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 29.55 1a1b h ARG 220 CO 0.00 1.05 -0.41 0.99 -1.51 0.00 0.00 179.97 180.08 1a1b s THR 221 N -4.41 0.07 0.10 0.20 2.01 -1.24 -5.16 115.64 107.21 1a1b s THR 221 Ca -0.12 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1a1b s THR 221 Cb 0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1a1b s THR 221 CO 0.85 -0.33 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.25 1a1b s GLN 222 N -1.33 0.84 0.01 4.92 -0.21 -1.26 -4.53 119.66 118.10 1a1b s GLN 222 Ca -0.14 -1.17 0.02 0.00 0.02 0.00 0.00 55.36 54.09 1a1b s GLN 222 Cb -0.07 -0.50 -0.01 0.00 1.00 0.00 0.00 33.01 33.44 1a1b s GLN 222 CO 0.02 0.07 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.15 1a1b s PHE 223 N -2.55 0.52 -0.96 0.91 0.08 -0.61 -4.93 117.98 110.44 1a1b s PHE 223 Ca 0.06 -0.19 0.26 0.00 0.12 0.00 0.00 56.93 57.18 1a1b s PHE 223 Cb -0.02 -0.33 1.08 0.00 -0.57 0.00 0.00 43.02 43.18 1a1b s PHE 223 CO -0.00 -0.03 1.82 0.09 -0.10 0.00 0.00 175.22 177.00 1a1b n ASN 224 N 2.59 0.09 -3.87 1.36 5.03 -1.26 -0.35 115.26 118.84 1a1b n ASN 224 Ca -0.15 0.51 -0.09 0.00 0.87 0.00 0.00 54.58 55.72 1a1b n ASN 224 Cb 0.57 -0.53 -0.05 0.00 -1.02 0.00 0.00 39.78 38.75 1a1b n ASN 224 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1a1b s SER 225 N -3.16 -0.14 0.23 6.41 1.04 -1.26 -4.60 113.70 112.22 1a1b s SER 225 Ca 0.12 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.85 1a1b s SER 225 Cb 0.16 0.55 0.25 0.00 0.10 0.00 0.00 66.02 67.09 1a1b s SER 225 CO 0.48 -1.05 1.59 -0.07 0.98 0.00 0.00 173.24 175.17 1a1b h LEU 226 N 2.29 0.47 -1.24 2.42 3.38 -1.96 -2.11 115.31 118.55 1a1b h LEU 226 Ca -0.28 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1a1b h LEU 226 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1a1b h LEU 226 CO 0.39 0.87 -0.37 -0.61 0.09 0.00 0.00 178.44 178.80 1a1b h GLN 227 N 0.35 0.01 -0.31 1.13 -0.00 -1.99 -0.58 115.11 113.72 1a1b h GLN 227 Ca 0.02 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 1a1b h GLN 227 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.43 1a1b h GLN 227 CO 0.08 0.38 -0.32 1.96 0.00 0.00 0.00 178.83 180.94 1a1b h GLN 228 N 0.01 0.66 0.09 1.69 4.20 -1.80 0.10 115.11 120.05 1a1b h GLN 228 Ca -0.00 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1a1b h GLN 228 Cb 0.66 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1a1b h GLN 228 CO 0.05 0.89 -0.04 1.25 -0.67 0.00 0.00 178.83 180.31 1a1b h LEU 229 N 0.56 -0.10 -0.39 1.46 6.46 -0.91 -0.79 115.31 121.61 1a1b h LEU 229 Ca 0.06 -0.19 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1a1b h LEU 229 Cb 0.82 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.73 1a1b h LEU 229 CO 0.07 0.14 0.12 0.58 -0.62 0.00 0.00 178.44 178.73 1a1b h VAL 230 N -0.34 0.86 -0.91 1.05 2.07 -1.04 -1.39 116.25 116.55 1a1b h VAL 230 Ca -0.01 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1a1b h VAL 230 Cb 0.29 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1a1b h VAL 230 CO 0.02 0.05 0.59 0.00 0.02 0.00 0.00 177.57 178.25 1a1b h ALA 231 N 1.26 1.20 -0.20 1.67 0.00 -0.91 -2.01 119.26 120.27 1a1b h ALA 231 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a1b h ALA 231 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1a1b h ALA 231 CO -0.20 0.46 -0.03 -0.92 0.00 0.00 0.00 179.25 178.57 1a1b h TYR 232 N 1.16 0.41 0.00 0.00 3.20 -0.67 -3.09 116.97 117.98 1a1b h TYR 232 Ca 0.36 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1a1b h TYR 232 Cb -0.01 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1a1b h TYR 232 CO -0.01 0.60 0.00 0.66 -1.64 0.00 0.00 178.16 177.76 1a1b n TYR 233 N -4.66 0.00 0.10 -3.82 4.01 -0.57 -0.62 117.16 111.61 1a1b n TYR 233 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 1a1b n TYR 233 Cb 0.26 -0.36 0.08 0.00 -0.31 0.00 0.00 39.34 39.01 1a1b n TYR 233 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1a1b h SER 234 N 0.00 0.14 0.16 7.72 0.02 -1.29 -1.56 113.55 118.75 1a1b h SER 234 Ca 0.00 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 1a1b h SER 234 Cb 0.34 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1a1b h SER 234 CO 0.00 0.81 -2.02 0.29 -1.14 0.00 0.00 176.83 174.77 1a1b n LYS 235 N -3.74 0.66 -3.68 3.45 4.01 -0.37 -4.43 118.16 114.06 1a1b n LYS 235 Ca -0.02 -0.03 -0.23 0.00 -0.51 0.00 0.00 58.31 57.52 1a1b n LYS 235 Cb 0.70 -1.59 -0.17 0.00 -0.51 0.00 0.00 35.03 33.46 1a1b n LYS 235 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1a1b s HIS 236 N -2.97 0.35 0.21 2.13 3.76 0.20 -5.02 115.29 113.95 1a1b s HIS 236 Ca -0.08 -0.14 -0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1a1b s HIS 236 Cb 0.10 -0.68 0.16 0.00 1.11 0.00 0.00 32.58 33.27 1a1b s HIS 236 CO 0.85 -0.37 1.80 0.00 -0.85 0.00 0.00 174.74 176.17 1a1b h ALA 237 N 8.39 1.04 -6.85 -1.40 0.00 -1.86 -3.37 119.26 115.21 1a1b h ALA 237 Ca -0.15 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 1a1b h ALA 237 Cb 1.13 -0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 1a1b h ALA 237 CO 0.24 0.63 -0.84 -0.25 0.00 0.00 0.00 179.25 179.03 1a1b n ASP 238 N -4.32 -0.31 0.00 0.00 9.92 -1.26 -1.28 116.55 119.29 1a1b n ASP 238 Ca 0.07 -1.10 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1a1b n ASP 238 Cb 0.15 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 1a1b n ASP 238 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a1b n GLY 239 N -2.24 2.92 3.74 0.44 0.00 -1.26 -5.04 105.19 103.75 1a1b n GLY 239 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1a1b n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a1b s LEU 240 N 0.00 3.13 0.52 0.99 1.43 -0.41 -4.93 118.68 119.42 1a1b s LEU 240 Ca 0.00 2.01 0.20 0.00 -1.03 0.00 0.00 54.13 55.31 1a1b s LEU 240 Cb 0.00 -4.55 1.32 0.00 0.03 0.00 0.00 46.19 43.00 1a1b s LEU 240 CO 0.00 -2.17 2.09 0.00 0.23 0.00 0.00 176.35 176.50 1a1b s HIS 242 N -5.05 -0.55 0.73 0.00 5.65 -1.26 -5.05 115.29 109.76 1a1b s HIS 242 Ca -0.05 1.03 -0.16 0.00 0.25 0.00 0.00 55.06 56.13 1a1b s HIS 242 Cb 0.18 0.41 -0.01 0.00 -1.18 0.00 0.00 32.58 31.98 1a1b s HIS 242 CO 0.69 -0.45 0.80 0.54 -0.65 0.00 0.00 174.74 175.68 1a1b n ARG 243 N 1.16 0.40 -2.55 2.88 1.74 -1.26 -4.81 116.66 114.21 1a1b n ARG 243 Ca -0.15 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1a1b n ARG 243 Cb 0.57 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1a1b n ARG 243 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a1b s LEU 244 N -2.11 4.28 -0.00 0.55 1.43 -0.59 -4.51 118.68 117.73 1a1b s LEU 244 Ca 0.70 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1a1b s LEU 244 Cb -0.34 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 1a1b s LEU 244 CO 0.54 -0.50 -0.05 0.35 0.23 0.00 0.00 176.35 176.92 1a1b n THR 245 N 4.48 0.46 -4.55 5.49 -2.24 0.23 -4.48 114.28 113.67 1a1b n THR 245 Ca 0.10 0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.80 1a1b n THR 245 Cb 0.47 -1.43 -0.12 0.00 -2.10 0.00 0.00 70.33 67.15 1a1b n THR 245 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a1b s THR 246 N -1.46 2.83 0.38 4.28 2.01 -1.23 -4.97 115.64 117.48 1a1b s THR 246 Ca -0.04 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 60.44 1a1b s THR 246 Cb 0.01 -2.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 1a1b s THR 246 CO 0.06 0.27 1.10 -0.69 -0.69 0.00 0.00 174.62 174.66 1a1b s VAL 247 N -0.99 3.50 -0.09 3.82 1.01 -1.26 -1.79 120.40 124.60 1a1b s VAL 247 Ca 0.16 1.24 -0.38 0.00 0.00 0.00 0.00 61.98 63.00 1a1b s VAL 247 Cb -0.11 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.43 1a1b s VAL 247 CO 0.07 0.10 1.57 0.00 0.00 0.00 0.00 175.10 176.84