#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n70 h GLU 150 N 0.00 0.66 0.28 4.33 4.39 -2.01 0.52 114.58 122.75 3n70 h GLU 150 Ca 0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3n70 h GLU 150 Cb 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3n70 h GLU 150 CO 0.00 0.58 -0.13 -1.49 -1.16 0.00 0.00 179.01 176.80 3n70 h TRP 151 N 0.59 -0.34 0.01 4.33 4.06 -1.99 2.44 115.95 125.05 3n70 h TRP 151 Ca 0.15 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 3n70 h TRP 151 Cb 0.14 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 3n70 h TRP 151 CO -0.01 -0.14 -0.00 -0.84 -3.56 0.00 0.00 178.44 173.89 3n70 h ILE 152 N -0.48 1.21 0.39 1.49 -0.00 -1.92 3.23 117.51 121.42 3n70 h ILE 152 Ca -0.04 -0.65 -0.02 0.00 -0.00 0.00 0.00 64.86 64.15 3n70 h ILE 152 Cb 0.36 1.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.83 3n70 h ILE 152 CO 0.06 0.17 -0.19 -0.55 -0.00 0.00 0.00 178.15 177.64 3n70 h ASN 153 N -0.29 -0.45 0.11 2.16 -0.00 0.15 0.18 115.58 117.44 3n70 h ASN 153 Ca -0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 56.30 56.20 3n70 h ASN 153 Cb 0.28 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.72 3n70 h ASN 153 CO 0.00 -0.16 -0.05 0.06 -0.00 0.00 0.00 177.43 177.28 3n70 h GLN 154 N -0.73 -0.14 -0.01 4.14 3.07 0.41 -2.81 115.11 119.03 3n70 h GLN 154 Ca -0.05 0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 3n70 h GLN 154 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.10 3n70 h GLN 154 CO 0.09 0.35 0.00 1.88 0.09 0.00 0.00 178.83 181.24 3n70 h TYR 155 N -0.77 0.01 -0.35 0.06 0.99 0.68 0.54 116.97 118.13 3n70 h TYR 155 Ca -0.02 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 3n70 h TYR 155 Cb 0.56 -0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.27 3n70 h TYR 155 CO 0.10 0.21 0.07 0.07 -0.00 0.00 0.00 178.16 178.61 3n70 h ARG 156 N -0.19 0.57 -0.01 4.88 0.11 0.81 0.10 114.38 120.66 3n70 h ARG 156 Ca 0.00 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 3n70 h ARG 156 Cb 0.20 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 3n70 h ARG 156 CO -0.00 0.63 0.00 0.07 0.10 0.00 0.00 179.97 180.78 3n70 h ARG 157 N 0.42 0.01 0.12 0.08 0.11 -1.37 1.24 114.38 114.99 3n70 h ARG 157 Ca 0.11 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.18 3n70 h ARG 157 Cb 0.33 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3n70 h ARG 157 CO 0.00 0.13 -0.06 0.00 0.10 0.00 0.00 179.97 180.15 3n70 h ARG 158 N -0.12 -0.16 -0.10 0.08 3.08 0.07 3.69 114.38 120.93 3n70 h ARG 158 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3n70 h ARG 158 Cb 0.13 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3n70 h ARG 158 CO -0.00 0.08 0.01 -0.07 -1.07 0.00 0.00 179.97 178.92 3n70 h LEU 159 N -0.39 0.17 -0.23 3.04 -0.00 -0.76 -2.33 115.31 114.82 3n70 h LEU 159 Ca -0.02 -0.29 -0.13 0.00 -0.00 0.00 0.00 57.88 57.43 3n70 h LEU 159 Cb 0.31 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3n70 h LEU 159 CO 0.03 0.42 -0.38 0.06 -0.00 0.00 0.00 178.44 178.56 3n70 h GLN 160 N -0.09 0.66 0.00 1.13 -0.00 0.15 -2.87 115.11 114.09 3n70 h GLN 160 Ca 0.03 -0.41 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 3n70 h GLN 160 Cb 0.33 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 3n70 h GLN 160 CO 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 178.83 179.86 3n70 n GLN 161 N -4.23 0.59 0.00 0.06 10.64 1.22 -5.01 117.38 120.65 3n70 n GLN 161 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 3n70 n GLN 161 Cb 0.53 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 3n70 n GLN 161 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3n70 n LEU 162 N -0.69 0.00 -0.21 2.61 7.99 -0.88 -4.92 117.00 120.91 3n70 n LEU 162 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.02 3n70 n LEU 162 Cb 0.02 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.33 3n70 n LEU 162 CO 0.04 0.00 0.07 1.87 -1.51 0.00 0.00 177.39 177.86 3n70 n TRP 170 N 0.00 0.07 -4.83 -1.77 -0.00 -1.26 -5.12 117.44 104.53 3n70 n TRP 170 Ca 0.00 0.04 -0.33 0.00 -0.00 0.00 0.00 57.50 57.22 3n70 n TRP 170 Cb 0.00 -0.11 -0.15 0.00 -0.00 0.00 0.00 31.31 31.06 3n70 n TRP 170 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3n70 s LEU 171 N 0.21 2.59 -0.13 5.87 1.02 -1.25 -1.11 118.68 125.88 3n70 s LEU 171 Ca 0.05 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.85 3n70 s LEU 171 Cb -0.07 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.57 3n70 s LEU 171 CO 0.03 0.16 -0.20 -0.72 0.02 0.00 0.00 176.35 175.65 3n70 s TYR 172 N 0.38 2.69 0.12 0.29 -0.85 0.22 -4.42 117.35 115.78 3n70 s TYR 172 Ca -0.12 -1.10 -0.14 0.00 -0.52 0.00 0.00 57.07 55.18 3n70 s TYR 172 Cb -0.16 -1.81 0.03 0.00 0.38 0.00 0.00 41.96 40.39 3n70 s TYR 172 CO 0.06 -0.48 0.36 0.20 -1.52 0.00 0.00 175.55 174.17 3n70 s GLY 173 N 0.64 -0.17 1.11 5.49 0.00 -1.26 -3.29 107.32 109.84 3n70 s GLY 173 Ca -0.10 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 3n70 s GLY 173 CO 0.02 -0.42 1.15 0.00 0.00 0.00 0.00 173.10 173.85 3n70 s ALA 174 N -3.82 1.03 0.31 3.20 0.00 -1.26 -3.77 121.76 117.46 3n70 s ALA 174 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3n70 s ALA 174 Cb 0.02 -2.90 -0.12 0.00 0.00 0.00 0.00 23.12 20.12 3n70 s ALA 174 CO -0.11 -3.19 1.36 -2.30 0.00 0.00 0.00 175.76 171.52 3n70 n PRO 175 N -4.43 2.20 0.00 0.00 -0.02 -1.26 -3.63 135.00 127.86 3n70 n PRO 175 Ca 0.12 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3n70 n PRO 175 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3n70 n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n70 n GLY 176 N 1.22 1.65 4.60 -1.23 0.00 -1.26 -4.89 105.19 105.27 3n70 n GLY 176 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3n70 n GLY 176 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3n70 n THR 177 N 0.00 0.00 -0.78 2.61 -1.04 -1.24 -1.82 114.28 112.02 3n70 n THR 177 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3n70 n THR 177 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3n70 n THR 177 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3n70 n GLY 178 N -1.70 0.55 0.00 3.41 0.00 -1.26 0.94 105.19 107.14 3n70 n GLY 178 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3n70 n GLY 178 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n70 n ARG 179 N -2.78 0.73 0.00 1.61 1.85 -0.75 0.53 116.66 117.85 3n70 n ARG 179 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3n70 n ARG 179 Cb 0.00 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 3n70 n ARG 179 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3n70 n THR 181 N -0.56 0.00 0.03 8.89 -2.24 -1.26 -1.25 114.28 117.89 3n70 n THR 181 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3n70 n THR 181 Cb 0.01 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.58 3n70 n THR 181 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3n70 h GLY 182 N 0.00 0.48 1.88 3.38 0.00 1.28 -3.27 103.07 106.83 3n70 h GLY 182 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3n70 h GLY 182 CO 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 176.54 176.77 3n70 h ALA 183 N 1.58 1.76 -0.48 3.60 0.00 -1.20 -3.25 119.26 121.28 3n70 h ALA 183 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n70 h ALA 183 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3n70 h ALA 183 CO 0.01 0.19 0.27 0.07 0.00 0.00 0.00 179.25 179.78 3n70 h ARG 184 N 0.16 0.65 -0.05 0.00 -0.00 -1.84 -2.76 114.38 110.53 3n70 h ARG 184 Ca 0.04 -0.06 0.04 0.00 -0.00 0.00 0.00 59.98 60.00 3n70 h ARG 184 Cb 0.15 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.97 29.94 3n70 h ARG 184 CO 0.00 0.48 -0.21 -0.92 -0.00 0.00 0.00 179.97 179.32 3n70 h TYR 185 N 0.66 -0.55 -0.99 4.08 5.03 -1.82 -1.93 116.97 121.46 3n70 h TYR 185 Ca 0.17 0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.69 3n70 h TYR 185 Cb 0.01 0.25 -0.10 0.00 1.55 0.00 0.00 36.73 38.44 3n70 h TYR 185 CO 0.00 -0.29 0.61 -0.07 -1.32 0.00 0.00 178.16 177.10 3n70 h LEU 186 N -0.30 0.72 0.00 2.82 -0.00 -1.73 -3.53 115.31 113.28 3n70 h LEU 186 Ca 0.08 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 3n70 h LEU 186 Cb 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3n70 h LEU 186 CO -0.23 0.28 0.00 1.57 -0.00 0.00 0.00 178.44 180.06 3n70 n HIS 187 N -4.69 -1.10 0.00 1.13 -0.00 -0.73 -5.13 115.22 104.70 3n70 n HIS 187 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 3n70 n HIS 187 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 3n70 n HIS 187 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3n70 n PHE 197 N -1.21 0.00 -5.05 1.57 -0.00 -1.26 -4.95 117.46 106.56 3n70 n PHE 197 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.13 3n70 n PHE 197 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 39.32 3n70 n PHE 197 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3n70 s VAL 198 N 0.00 2.44 -0.11 -2.13 -7.23 -0.97 -4.83 120.40 107.58 3n70 s VAL 198 Ca 0.00 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3n70 s VAL 198 Cb 0.00 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 3n70 s VAL 198 CO 0.00 0.55 -0.22 -0.47 -0.31 0.00 0.00 175.10 174.65 3n70 s TYR 199 N 0.31 2.61 0.10 2.82 6.04 -1.26 -2.98 117.35 124.99 3n70 s TYR 199 Ca -0.15 -1.03 0.08 0.00 0.04 0.00 0.00 57.07 56.02 3n70 s TYR 199 Cb -0.17 -1.74 -0.03 0.00 -1.04 0.00 0.00 41.96 38.97 3n70 s TYR 199 CO 0.07 -0.41 -0.21 1.03 -1.54 0.00 0.00 175.55 174.49 3n70 s ARG 200 N 0.41 1.18 -0.21 4.97 1.81 -0.86 -5.01 118.95 121.25 3n70 s ARG 200 Ca -0.16 -1.15 -0.09 0.00 -1.72 0.00 0.00 55.73 52.61 3n70 s ARG 200 Cb -0.17 -1.45 -0.05 0.00 -0.45 0.00 0.00 34.95 32.83 3n70 s ARG 200 CO 0.07 0.34 0.11 -2.00 -0.68 0.00 0.00 175.30 173.14 3n70 s GLU 201 N -1.83 4.07 0.09 3.54 2.12 -1.26 -2.86 118.70 122.56 3n70 s GLU 201 Ca 0.07 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 3n70 s GLU 201 Cb -0.10 -3.37 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 3n70 s GLU 201 CO 0.04 0.21 0.61 -0.48 -0.54 0.00 0.00 175.26 175.11 3n70 s LEU 202 N 0.58 4.54 -0.20 2.70 0.05 0.35 -4.88 118.68 121.82 3n70 s LEU 202 Ca 0.06 1.34 -0.18 0.00 0.05 0.00 0.00 54.13 55.40 3n70 s LEU 202 Cb -0.12 -2.98 0.05 0.00 -2.05 0.00 0.00 46.19 41.09 3n70 s LEU 202 CO 0.01 0.26 0.54 -0.89 -0.55 0.00 0.00 176.35 175.71 3n70 s THR 203 N -1.10 -0.00 0.29 5.48 2.01 -1.26 -4.51 115.64 116.55 3n70 s THR 203 Ca 0.30 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.54 3n70 s THR 203 Cb -0.20 -0.75 0.36 0.00 0.01 0.00 0.00 72.50 71.92 3n70 s THR 203 CO 0.20 0.00 0.96 -2.65 -0.69 0.00 0.00 174.62 172.45 3n70 n PRO 204 N 2.83 -0.02 0.17 4.92 -0.02 -1.26 0.79 135.00 142.42 3n70 n PRO 204 Ca -0.14 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3n70 n PRO 204 Cb 0.56 -1.53 0.27 0.00 -0.02 0.00 0.00 33.50 32.79 3n70 n PRO 204 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3n70 h ASP 205 N 0.00 0.00 0.77 2.55 3.45 -1.99 -3.32 116.42 117.88 3n70 h ASP 205 Ca 0.55 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.77 3n70 h ASP 205 Cb 1.94 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 40.67 3n70 h ASP 205 CO -0.20 0.00 -1.30 -0.55 -1.57 0.00 0.00 179.24 175.62 3n70 h ASN 206 N 0.00 0.02 -0.68 6.45 -0.00 2.98 -3.40 115.58 120.94 3n70 h ASN 206 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 56.21 3n70 h ASN 206 Cb 0.89 -0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 39.17 3n70 h ASN 206 CO 0.00 1.03 0.22 0.00 -0.00 0.00 0.00 177.43 178.67 3n70 h ALA 207 N 0.97 1.06 -0.70 4.14 0.00 -1.59 -2.50 119.26 120.63 3n70 h ALA 207 Ca -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3n70 h ALA 207 Cb 1.88 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3n70 h ALA 207 CO 0.11 0.64 0.33 -1.35 0.00 0.00 0.00 179.25 178.98 3n70 h PRO 208 N 1.04 1.00 0.00 0.00 0.11 -1.80 -1.12 132.00 131.23 3n70 h PRO 208 Ca 0.23 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3n70 h PRO 208 Cb 0.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3n70 h PRO 208 CO -0.01 0.78 0.00 1.04 -0.21 0.00 0.00 178.00 179.60 3n70 n GLN 209 N -4.33 0.11 -0.26 1.05 3.00 -0.97 -3.98 117.38 112.00 3n70 n GLN 209 Ca 0.07 0.12 -0.06 0.00 -0.01 0.00 0.00 57.00 57.13 3n70 n GLN 209 Cb 0.14 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.93 3n70 n GLN 209 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3n70 h LEU 210 N 0.00 0.91 -0.63 1.08 6.46 -0.92 2.87 115.31 125.08 3n70 h LEU 210 Ca 0.00 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3n70 h LEU 210 Cb 0.30 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 3n70 h LEU 210 CO 0.00 0.75 0.32 0.78 -0.62 0.00 0.00 178.44 179.67 3n70 h ASN 211 N 1.00 0.81 -0.67 1.25 2.35 -1.75 4.41 115.58 122.98 3n70 h ASN 211 Ca 0.26 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3n70 h ASN 211 Cb 0.05 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3n70 h ASN 211 CO -0.04 0.70 0.18 0.44 -1.65 0.00 0.00 177.43 177.06 3n70 h ASP 212 N 0.86 1.01 -0.61 5.81 3.45 -1.61 -3.00 116.42 122.33 3n70 h ASP 212 Ca 0.22 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 3n70 h ASP 212 Cb 0.09 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 3n70 h ASP 212 CO -0.03 0.97 0.26 -0.26 -1.57 0.00 0.00 179.24 178.60 3n70 h PHE 213 N 1.03 0.94 0.00 4.55 0.05 0.87 -2.84 116.94 121.53 3n70 h PHE 213 Ca 0.22 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.95 3n70 h PHE 213 Cb 0.34 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.00 3n70 h PHE 213 CO 0.03 0.72 0.00 0.44 -0.18 0.00 0.00 178.31 179.32 3n70 n ILE 214 N -4.31 0.43 0.00 -0.55 -0.00 1.41 -3.84 119.36 112.50 3n70 n ILE 214 Ca 0.06 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 3n70 n ILE 214 Cb 0.17 -0.81 0.00 0.00 -0.00 0.00 0.00 39.64 39.00 3n70 n ILE 214 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3n70 n ALA 215 N -1.26 -0.36 -0.51 -1.28 0.00 -1.07 -5.07 120.51 110.95 3n70 n ALA 215 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3n70 n ALA 215 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3n70 n ALA 215 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3n70 n LEU 216 N -2.28 0.00 0.00 0.00 4.77 -1.25 -5.18 117.00 113.07 3n70 n LEU 216 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3n70 n LEU 216 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3n70 n LEU 216 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 3n70 n THR 221 N 0.00 0.00 -4.60 -5.08 -1.04 -1.26 -4.78 114.28 97.52 3n70 n THR 221 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3n70 n THR 221 Cb 0.00 -0.46 -0.16 0.00 -1.82 0.00 0.00 70.33 67.90 3n70 n THR 221 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3n70 s LEU 222 N 0.00 2.37 -0.06 -4.42 2.96 -1.26 -2.29 118.68 115.98 3n70 s LEU 222 Ca 0.00 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3n70 s LEU 222 Cb 0.00 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 3n70 s LEU 222 CO 0.00 0.09 -0.19 0.54 -1.32 0.00 0.00 176.35 175.47 3n70 s VAL 223 N 0.79 1.57 0.08 1.68 0.11 -1.16 -5.05 120.40 118.42 3n70 s VAL 223 Ca -0.06 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3n70 s VAL 223 Cb -0.15 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 3n70 s VAL 223 CO -0.00 0.45 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.37 3n70 s LEU 224 N 0.13 2.38 0.06 2.54 1.43 -1.26 -2.02 118.68 121.94 3n70 s LEU 224 Ca -0.07 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 3n70 s LEU 224 Cb -0.13 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 3n70 s LEU 224 CO 0.03 -0.29 -0.10 -0.94 0.23 0.00 0.00 176.35 175.29 3n70 s SER 225 N -2.29 1.19 -1.31 2.29 1.04 -1.14 -4.79 113.70 108.70 3n70 s SER 225 Ca 0.02 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3n70 s SER 225 Cb -0.03 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.11 3n70 s SER 225 CO -0.01 -0.20 0.82 1.41 0.98 0.00 0.00 173.24 176.24 3n70 n HIS 226 N 1.16 -2.07 0.30 5.02 8.25 -1.26 0.13 115.22 126.75 3n70 n HIS 226 Ca -0.21 0.88 0.18 0.00 -0.26 0.00 0.00 57.72 58.31 3n70 n HIS 226 Cb 0.55 -4.54 0.84 0.00 1.12 0.00 0.00 29.99 27.97 3n70 n HIS 226 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3n70 h PRO 227 N -1.94 0.00 -0.13 -0.41 0.11 -1.87 -3.03 132.00 124.72 3n70 h PRO 227 Ca -0.60 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3n70 h PRO 227 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3n70 h PRO 227 CO 0.56 0.00 0.03 1.05 -0.21 0.00 0.00 178.00 179.43 3n70 h GLU 228 N 0.00 0.18 -0.41 1.05 9.09 -1.88 -2.91 114.58 119.70 3n70 h GLU 228 Ca 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 3n70 h GLU 228 Cb 0.22 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.26 3n70 h GLU 228 CO 0.00 0.18 0.16 0.45 0.05 0.00 0.00 179.01 179.84 3n70 h HIS 229 N 0.18 0.57 -4.02 2.06 3.86 -1.89 -3.44 115.15 112.47 3n70 h HIS 229 Ca 0.05 -0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 58.69 3n70 h HIS 229 Cb 0.08 -0.18 0.13 0.00 1.06 0.00 0.00 27.41 28.50 3n70 h HIS 229 CO 0.00 0.45 0.65 -0.51 0.86 0.00 0.00 177.93 179.39 3n70 s LEU 230 N -9.31 3.98 0.88 2.43 1.43 -1.10 -4.89 118.68 112.09 3n70 s LEU 230 Ca -0.08 2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3n70 s LEU 230 Cb 0.16 -4.11 0.12 0.00 0.03 0.00 0.00 46.19 42.39 3n70 s LEU 230 CO 0.75 -1.38 1.09 0.42 0.23 0.00 0.00 176.35 177.47 3n70 s THR 231 N -1.26 2.70 0.30 5.49 -4.23 -1.26 -4.71 115.64 112.68 3n70 s THR 231 Ca 0.66 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 3n70 s THR 231 Cb -0.42 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 70.90 3n70 s THR 231 CO 0.52 -0.30 1.97 0.08 -0.54 0.00 0.00 174.62 176.35 3n70 h ARG 232 N -1.46 1.05 -0.58 3.99 -0.00 -1.96 0.15 114.38 115.57 3n70 h ARG 232 Ca -0.49 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 59.40 3n70 h ARG 232 Cb 1.28 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.97 30.99 3n70 h ARG 232 CO 0.56 0.70 0.30 1.05 -0.00 0.00 0.00 179.97 182.58 3n70 h GLU 233 N 1.08 0.83 -0.35 0.08 -0.00 -1.96 3.50 114.58 117.75 3n70 h GLU 233 Ca 0.29 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.36 59.52 3n70 h GLU 233 Cb -0.11 -0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 28.47 3n70 h GLU 233 CO -0.06 0.66 0.13 1.96 -0.00 0.00 0.00 179.01 181.70 3n70 h GLN 234 N 0.79 0.52 -0.61 1.06 4.20 -1.47 0.52 115.11 120.12 3n70 h GLN 234 Ca 0.20 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3n70 h GLN 234 Cb 0.09 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3n70 h GLN 234 CO -0.03 0.52 0.21 1.96 -0.67 0.00 0.00 178.83 180.82 3n70 h GLN 235 N 0.41 0.95 -0.27 1.46 4.20 -0.02 -3.04 115.11 118.80 3n70 h GLN 235 Ca 0.12 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3n70 h GLN 235 Cb 0.20 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3n70 h GLN 235 CO -0.01 0.83 0.14 1.88 -0.67 0.00 0.00 178.83 181.00 3n70 h TYR 236 N 0.87 0.39 -0.22 2.96 0.05 0.68 -1.90 116.97 119.80 3n70 h TYR 236 Ca 0.20 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.03 3n70 h TYR 236 Cb 0.27 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3n70 h TYR 236 CO 0.02 0.35 0.35 1.25 -1.05 0.00 0.00 178.16 179.08 3n70 h HIS 237 N 0.31 0.00 0.05 4.88 6.17 0.15 -2.12 115.15 124.59 3n70 h HIS 237 Ca 0.09 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 60.90 3n70 h HIS 237 Cb 0.10 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.00 3n70 h HIS 237 CO -0.02 0.00 -1.44 -0.07 0.71 0.00 0.00 177.93 177.11 3n70 h LEU 238 N 0.00 0.16 -0.26 0.26 3.38 -1.29 -0.45 115.31 117.10 3n70 h LEU 238 Ca 0.11 -0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 3n70 h LEU 238 Cb 0.81 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3n70 h LEU 238 CO -0.00 1.19 -0.89 1.62 0.09 0.00 0.00 178.44 180.45 3n70 h VAL 239 N 0.03 1.50 -0.14 1.22 3.04 -1.42 0.50 116.25 120.98 3n70 h VAL 239 Ca -0.19 -2.66 -0.09 0.00 -1.01 0.00 0.00 66.70 62.75 3n70 h VAL 239 Cb 1.94 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 33.71 3n70 h VAL 239 CO 0.13 0.77 -0.27 1.56 -1.01 0.00 0.00 177.57 178.75 3n70 h GLN 240 N 0.10 0.42 -0.27 4.17 7.50 -1.55 0.40 115.11 125.88 3n70 h GLN 240 Ca -0.04 -0.27 -0.13 0.00 0.50 0.00 0.00 58.65 58.70 3n70 h GLN 240 Cb 1.53 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 29.09 3n70 h GLN 240 CO 0.14 0.87 -0.33 1.37 -1.50 0.00 0.00 178.83 179.38 3n70 h LEU 241 N 0.03 0.76 0.00 1.46 -0.00 -1.11 -2.28 115.31 114.17 3n70 h LEU 241 Ca 0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 3n70 h LEU 241 Cb 0.86 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3n70 h LEU 241 CO 0.06 1.10 0.00 0.00 -0.00 0.00 0.00 178.44 179.60 3n70 n GLN 242 N -4.24 0.19 -1.44 0.17 1.13 0.18 -5.06 117.38 108.31 3n70 n GLN 242 Ca -0.04 0.15 -0.34 0.00 -1.94 0.00 0.00 57.00 54.83 3n70 n GLN 242 Cb 0.50 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.42 3n70 n GLN 242 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3n70 n SER 243 N -1.32 7.33 0.00 1.08 7.64 0.14 -4.97 113.62 123.52 3n70 n SER 243 Ca 0.07 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.16 3n70 n SER 243 Cb 0.14 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3n70 n SER 243 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3n70 n ASP 256 N -0.89 0.00 -4.18 6.43 3.85 -1.25 -4.89 116.55 115.63 3n70 n ASP 256 Ca 0.60 0.00 -0.11 0.00 -0.71 0.00 0.00 54.79 54.57 3n70 n ASP 256 Cb 0.70 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.37 3n70 n ASP 256 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3n70 s THR 257 N -1.82 0.70 0.50 2.12 -1.32 -1.26 -4.15 115.64 110.42 3n70 s THR 257 Ca 0.00 -1.95 -0.23 0.00 -1.21 0.00 0.00 61.69 58.31 3n70 s THR 257 Cb 0.00 -1.76 -0.06 0.00 -1.51 0.00 0.00 72.50 69.16 3n70 s THR 257 CO 0.00 -0.80 1.30 -0.55 -2.21 0.00 0.00 174.62 172.36 3n70 s SER 258 N -3.07 5.66 0.22 8.08 0.15 -1.26 -4.54 113.70 118.94 3n70 s SER 258 Ca 0.14 2.62 -0.08 0.00 0.70 0.00 0.00 55.95 59.34 3n70 s SER 258 Cb 0.05 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.91 3n70 s SER 258 CO -0.03 -1.29 1.80 0.25 1.20 0.00 0.00 173.24 175.17 3n70 h LEU 259 N 1.78 1.11 -0.95 3.45 5.85 -1.98 -2.52 115.31 122.06 3n70 h LEU 259 Ca -0.50 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 3n70 h LEU 259 Cb 1.28 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3n70 h LEU 259 CO 0.59 0.95 0.20 0.58 -0.34 0.00 0.00 178.44 180.42 3n70 h VAL 260 N 1.19 1.24 -0.54 1.05 2.07 -1.96 -3.02 116.25 116.27 3n70 h VAL 260 Ca 0.28 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3n70 h VAL 260 Cb 0.16 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3n70 h VAL 260 CO -0.03 0.32 0.20 -0.33 0.02 0.00 0.00 177.57 177.74 3n70 h GLU 261 N 0.94 0.79 -0.84 1.57 3.07 -1.83 -3.20 114.58 115.08 3n70 h GLU 261 Ca 0.21 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 3n70 h GLU 261 Cb 0.26 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 3n70 h GLU 261 CO -0.01 0.66 0.43 1.25 -1.40 0.00 0.00 179.01 179.95 3n70 h LEU 262 N 0.77 1.07 -0.27 1.33 7.12 -1.38 -2.05 115.31 121.91 3n70 h LEU 262 Ca 0.18 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 3n70 h LEU 262 Cb 0.18 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 3n70 h LEU 262 CO -0.01 0.89 0.14 0.00 -0.13 0.00 0.00 178.44 179.33 3n70 h ALA 263 N 1.23 0.34 -0.25 1.25 0.00 -1.67 0.64 119.26 120.80 3n70 h ALA 263 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3n70 h ALA 263 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3n70 h ALA 263 CO -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.16 3n70 h ALA 264 N 1.02 0.33 -0.63 0.00 0.00 -1.67 -3.20 119.26 115.11 3n70 h ALA 264 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3n70 h ALA 264 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3n70 h ALA 264 CO -0.01 -0.04 0.21 0.77 0.00 0.00 0.00 179.25 180.18 3n70 h SER 265 N 0.23 0.90 -4.40 0.00 0.02 -1.03 -3.45 113.55 105.83 3n70 h SER 265 Ca 0.08 -0.20 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 3n70 h SER 265 Cb 0.25 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 62.41 3n70 h SER 265 CO -0.00 0.86 -0.70 0.21 -1.14 0.00 0.00 176.83 176.06 3n70 s ASN 266 N -6.22 1.35 0.29 3.07 3.84 0.22 -5.09 114.94 112.40 3n70 s ASN 266 Ca -0.13 -1.02 -0.30 0.00 0.21 0.00 0.00 52.86 51.62 3n70 s ASN 266 Cb 0.13 0.06 -0.11 0.00 -0.55 0.00 0.00 41.25 40.79 3n70 s ASN 266 CO 0.81 -0.43 1.52 -1.38 -2.79 0.00 0.00 177.10 174.82 3n70 s HIS 267 N -3.53 2.84 0.16 0.43 -3.43 -1.26 -3.91 115.29 106.59 3n70 s HIS 267 Ca 0.15 0.93 -0.13 0.00 -0.80 0.00 0.00 55.06 55.21 3n70 s HIS 267 Cb 0.05 -3.96 0.01 0.00 -1.43 0.00 0.00 32.58 27.25 3n70 s HIS 267 CO -0.02 -3.14 0.37 0.42 -2.00 0.00 0.00 174.74 170.38 3n70 s ILE 268 N -0.17 0.06 -0.06 -5.38 -1.09 -1.26 -4.84 121.20 108.46 3n70 s ILE 268 Ca 0.60 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3n70 s ILE 268 Cb -0.45 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.81 3n70 s ILE 268 CO 0.48 -0.28 -0.09 0.27 -1.23 0.00 0.00 174.94 174.09 3n70 s ILE 269 N -3.90 3.50 0.30 2.92 -4.36 -1.26 -5.03 121.20 113.36 3n70 s ILE 269 Ca 0.11 -0.58 -0.01 0.00 -0.26 0.00 0.00 60.65 59.91 3n70 s ILE 269 Cb 0.02 -2.42 0.21 0.00 1.25 0.00 0.00 42.46 41.52 3n70 s ILE 269 CO -0.04 0.58 1.91 0.00 0.24 0.00 0.00 174.94 177.63 3n70 h ALA 270 N 5.21 1.35 -0.77 2.27 0.00 -2.01 -2.95 119.26 122.35 3n70 h ALA 270 Ca -0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3n70 h ALA 270 Cb 1.17 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3n70 h ALA 270 CO 0.52 0.52 0.47 1.05 0.00 0.00 0.00 179.25 181.80 3n70 h GLU 271 N 0.91 1.05 -0.64 0.00 4.11 -1.97 0.33 114.58 118.37 3n70 h GLU 271 Ca 0.23 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.52 3n70 h GLU 271 Cb 0.08 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3n70 h GLU 271 CO -0.03 0.73 0.23 -0.07 0.07 0.00 0.00 179.01 179.94 3n70 h LEU 272 N 1.06 0.91 -0.80 3.06 -0.00 -1.86 -2.15 115.31 115.52 3n70 h LEU 272 Ca 0.28 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 3n70 h LEU 272 Cb -0.05 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.34 3n70 h LEU 272 CO -0.05 0.85 0.35 0.22 -0.00 0.00 0.00 178.44 179.81 3n70 h TYR 273 N 0.91 1.19 -0.66 1.13 3.20 -1.23 -3.11 116.97 118.40 3n70 h TYR 273 Ca 0.21 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3n70 h TYR 273 Cb 0.25 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3n70 h TYR 273 CO 0.02 0.88 0.26 1.88 -1.64 0.00 0.00 178.16 179.56 3n70 h TYR 274 N 1.15 0.97 -0.79 -3.82 0.05 0.12 3.50 116.97 118.15 3n70 h TYR 274 Ca 0.27 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 3n70 h TYR 274 Cb 0.17 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3n70 h TYR 274 CO 0.02 0.75 0.36 0.00 -1.05 0.00 0.00 178.16 178.23 3n70 n PHE 276 N -4.33 0.70 0.00 0.00 3.72 -0.93 -4.73 117.46 111.88 3n70 n PHE 276 Ca 0.07 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 3n70 n PHE 276 Cb 0.15 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 3n70 n PHE 276 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n70 n ALA 277 N -2.43 0.00 -0.02 4.37 0.00 1.16 -3.93 120.51 119.66 3n70 n ALA 277 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3n70 n ALA 277 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3n70 n ALA 277 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3n70 n THR 279 N 0.11 0.00 -4.20 0.00 5.66 -1.26 -5.04 114.28 109.55 3n70 n THR 279 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 3n70 n THR 279 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 3n70 n THR 279 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3n70 s GLN 280 N 0.00 3.61 -0.08 1.09 1.11 -1.25 -4.09 119.66 120.05 3n70 s GLN 280 Ca 0.00 -0.53 0.05 0.00 0.01 0.00 0.00 55.36 54.88 3n70 s GLN 280 Cb 0.00 -3.00 -0.00 0.00 -1.01 0.00 0.00 33.01 29.00 3n70 s GLN 280 CO 0.00 0.09 -0.23 -1.50 0.01 0.00 0.00 175.29 173.66 3n70 s ILE 281 N 0.78 1.95 -0.36 1.08 1.10 -0.27 -5.04 121.20 120.44 3n70 s ILE 281 Ca -0.01 -0.98 -0.13 0.00 -0.51 0.00 0.00 60.65 59.02 3n70 s ILE 281 Cb -0.14 -1.68 -0.00 0.00 0.15 0.00 0.00 42.46 40.79 3n70 s ILE 281 CO 0.02 0.54 0.25 0.00 -2.11 0.00 0.00 174.94 173.64 3n70 s ALA 282 N 0.15 3.47 0.11 1.50 0.00 -1.26 0.69 121.76 126.42 3n70 s ALA 282 Ca -0.12 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 3n70 s ALA 282 Cb -0.16 -2.72 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 3n70 s ALA 282 CO 0.06 -1.15 1.10 0.00 0.00 0.00 0.00 175.76 175.77 3n70 s LEU 284 N 0.27 2.03 0.00 0.00 2.34 -0.86 -4.40 118.68 118.06 3n70 s LEU 284 Ca 0.52 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 54.20 3n70 s LEU 284 Cb -0.28 -1.32 0.00 0.00 -0.56 0.00 0.00 46.19 44.03 3n70 s LEU 284 CO 0.32 0.16 0.05 -2.65 -1.06 0.00 0.00 176.35 173.17