#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbl n HIS 0 N 0.00 0.61 -1.83 7.33 -0.00 -1.26 -4.91 115.22 115.16 3kbl n HIS 0 Ca 0.00 0.58 -0.39 0.00 -0.00 0.00 0.00 57.72 57.91 3kbl n HIS 0 Cb 0.00 -2.15 0.03 0.00 -0.00 0.00 0.00 29.99 27.87 3kbl n HIS 0 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 3kbl s GLU 144 N -1.88 3.38 -0.32 1.57 2.12 -1.26 -4.96 118.70 117.35 3kbl s GLU 144 Ca 0.64 2.26 -0.23 0.00 0.36 0.00 0.00 54.97 57.99 3kbl s GLU 144 Cb -0.58 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.41 3kbl s GLU 144 CO 0.57 -1.01 0.79 0.00 -0.54 0.00 0.00 175.26 175.07 3kbl s ALA 145 N -1.29 3.50 0.08 6.30 0.00 -1.26 -4.91 121.76 124.18 3kbl s ALA 145 Ca 0.67 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 3kbl s ALA 145 Cb -0.41 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 3kbl s ALA 145 CO 0.50 -1.28 0.15 0.95 0.00 0.00 0.00 175.76 176.08 3kbl s THR 146 N 3.00 0.15 0.38 0.00 -4.23 -1.26 -4.87 115.64 108.80 3kbl s THR 146 Ca 0.32 -1.25 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 3kbl s THR 146 Cb -0.14 -1.31 0.13 0.00 1.34 0.00 0.00 72.50 72.52 3kbl s THR 146 CO 0.14 -0.69 1.88 0.58 -0.54 0.00 0.00 174.62 175.99 3kbl h VAL 147 N 2.91 1.21 -0.01 2.29 2.07 -1.97 -1.44 116.25 121.31 3kbl h VAL 147 Ca -0.34 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3kbl h VAL 147 Cb 1.19 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3kbl h VAL 147 CO 0.57 0.29 0.00 -0.33 0.02 0.00 0.00 177.57 178.12 3kbl h GLU 148 N 0.16 0.01 -0.26 1.57 3.07 -1.99 -1.07 114.58 116.06 3kbl h GLU 148 Ca 0.03 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3kbl h GLU 148 Cb 0.48 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 3kbl h GLU 148 CO 0.03 0.16 0.08 -0.92 -1.40 0.00 0.00 179.01 176.97 3kbl h TYR 149 N -0.15 0.14 -0.88 4.33 3.20 -1.82 -1.57 116.97 120.22 3kbl h TYR 149 Ca 0.00 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.05 3kbl h TYR 149 Cb 0.16 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.31 3kbl h TYR 149 CO -0.02 0.06 0.46 1.25 -1.64 0.00 0.00 178.16 178.27 3kbl h LEU 150 N 0.19 0.55 -0.22 2.82 5.85 -1.10 0.37 115.31 123.78 3kbl h LEU 150 Ca 0.12 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3kbl h LEU 150 Cb 0.09 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kbl h LEU 150 CO -0.13 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 3kbl h ALA 151 N 1.58 0.30 -0.20 1.25 0.00 -0.43 -0.05 119.26 121.70 3kbl h ALA 151 Ca 0.49 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3kbl h ALA 151 Cb 0.72 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3kbl h ALA 151 CO -0.38 0.01 -0.17 -0.44 0.00 0.00 0.00 179.25 178.27 3kbl h ASP 152 N 0.15 -0.55 -0.48 0.00 3.32 -0.55 -0.34 116.42 117.98 3kbl h ASP 152 Ca 0.06 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3kbl h ASP 152 Cb 0.39 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 3kbl h ASP 152 CO 0.01 -0.21 0.23 -0.07 -1.72 0.00 0.00 179.24 177.48 3kbl h LEU 153 N -0.18 0.32 -0.63 1.55 3.38 -0.63 0.13 115.31 119.24 3kbl h LEU 153 Ca 0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3kbl h LEU 153 Cb 0.36 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3kbl h LEU 153 CO -0.31 0.23 0.16 0.58 0.09 0.00 0.00 178.44 179.19 3kbl h VAL 154 N 0.45 1.25 -0.33 1.22 2.07 -0.75 -0.89 116.25 119.28 3kbl h VAL 154 Ca 0.21 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3kbl h VAL 154 Cb 0.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kbl h VAL 154 CO -0.16 0.34 0.14 0.50 0.02 0.00 0.00 177.57 178.41 3kbl h LYS 155 N 0.92 0.49 -0.64 1.57 3.64 -0.58 -1.11 116.57 120.86 3kbl h LYS 155 Ca 0.20 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3kbl h LYS 155 Cb 0.34 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3kbl h LYS 155 CO -0.00 0.47 0.25 0.93 -2.27 0.00 0.00 179.45 178.83 3kbl h GLU 156 N 0.39 0.95 -0.29 1.90 5.08 -0.64 -2.09 114.58 119.87 3kbl h GLU 156 Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kbl h GLU 156 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kbl h GLU 156 CO -0.01 0.78 0.14 -0.22 -1.00 0.00 0.00 179.01 178.70 3kbl h LYS 157 N 0.93 0.42 -0.43 2.33 1.63 -1.01 -2.64 116.57 117.81 3kbl h LYS 157 Ca 0.22 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 60.03 3kbl h LYS 157 Cb 0.20 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.66 3kbl h LYS 157 CO -0.02 0.40 -0.39 0.87 -3.45 0.00 0.00 179.45 176.86 3kbl h LYS 158 N 0.34 -0.28 -0.70 1.90 1.57 -0.91 -2.69 116.57 115.81 3kbl h LYS 158 Ca 0.10 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3kbl h LYS 158 Cb 0.11 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3kbl h LYS 158 CO -0.01 -0.19 0.40 0.45 -0.57 0.00 0.00 179.45 179.53 3kbl h HIS 159 N -0.29 0.74 0.00 -1.35 3.86 -1.19 -2.10 115.15 114.83 3kbl h HIS 159 Ca 0.16 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 3kbl h HIS 159 Cb 0.57 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3kbl h HIS 159 CO -0.60 0.36 -0.32 -0.07 0.86 0.00 0.00 177.93 178.15 3kbl h LEU 160 N 0.74 0.00 -1.55 2.43 3.38 -1.28 -1.96 115.31 117.06 3kbl h LEU 160 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kbl h LEU 160 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kbl h LEU 160 CO -0.18 0.32 0.00 0.71 0.09 0.00 0.00 178.44 179.38 3kbl h THR 161 N 0.00 0.00 0.00 0.22 1.35 -1.05 -0.03 112.91 113.40 3kbl h THR 161 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3kbl h THR 161 Cb 0.60 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kbl h THR 161 CO 0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 3kbl n LEU 162 N -2.46 0.57 -3.81 3.87 4.77 -0.74 -3.93 117.00 115.26 3kbl n LEU 162 Ca -0.01 0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 56.35 3kbl n LEU 162 Cb 0.10 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.46 3kbl n LEU 162 CO 0.15 -0.59 -0.14 -0.36 -1.33 0.00 0.00 177.39 175.12 3kbl s PHE 163 N -3.32 2.89 -0.42 -1.77 0.08 -0.03 -5.08 117.98 110.34 3kbl s PHE 163 Ca 0.03 -3.02 -0.40 0.00 0.12 0.00 0.00 56.93 53.67 3kbl s PHE 163 Cb 0.09 -2.35 -0.15 0.00 -0.57 0.00 0.00 43.02 40.03 3kbl s PHE 163 CO 0.34 -0.66 2.14 -2.30 -0.10 0.00 0.00 175.22 174.63 3kbl n PRO 164 N 2.59 0.57 -2.11 0.24 -0.02 -1.25 -2.16 135.00 132.87 3kbl n PRO 164 Ca 0.16 0.16 -0.19 0.00 -2.02 0.00 0.00 63.50 61.61 3kbl n PRO 164 Cb 0.36 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3kbl n PRO 164 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kbl n HIS 165 N 8.52 -0.62 0.06 6.00 8.25 -1.26 -4.84 115.22 131.33 3kbl n HIS 165 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 3kbl n HIS 165 Cb 0.10 -3.55 -0.06 0.00 1.12 0.00 0.00 29.99 27.60 3kbl n HIS 165 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3kbl h MET 166 N 0.00 0.00 -2.14 -0.41 -1.53 -1.78 -3.37 114.93 105.70 3kbl h MET 166 Ca -0.43 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.27 3kbl h MET 166 Cb 1.30 0.00 -0.41 0.00 -0.55 0.00 0.00 31.60 31.94 3kbl h MET 166 CO 0.54 0.36 -0.84 1.19 0.14 0.00 0.00 176.91 178.30 3kbl n PHE 167 N -2.99 2.24 -0.12 1.39 3.72 -1.26 -4.94 117.46 115.49 3kbl n PHE 167 Ca -0.06 -3.92 -0.10 0.00 -0.05 0.00 0.00 57.45 53.31 3kbl n PHE 167 Cb 0.82 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 3kbl n PHE 167 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3kbl h SER 168 N 3.50 0.60 -0.04 4.37 0.02 -1.95 -0.22 113.55 119.82 3kbl h SER 168 Ca 0.13 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3kbl h SER 168 Cb 0.72 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3kbl h SER 168 CO 0.68 0.73 0.02 0.00 -1.14 0.00 0.00 176.83 177.13 3kbl h ALA 169 N 0.89 0.05 -0.94 3.77 0.00 -1.95 -2.53 119.26 118.55 3kbl h ALA 169 Ca 0.11 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.09 3kbl h ALA 169 Cb 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3kbl h ALA 169 CO 0.01 -0.38 0.60 0.28 0.00 0.00 0.00 179.25 179.76 3kbl h VAL 170 N -0.07 0.83 -0.44 0.00 2.07 -1.95 -1.63 116.25 115.07 3kbl h VAL 170 Ca 0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3kbl h VAL 170 Cb 0.13 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3kbl h VAL 170 CO -0.00 0.14 -0.01 -0.33 0.02 0.00 0.00 177.57 177.39 3kbl h GLU 171 N 0.76 0.77 -0.19 1.57 5.08 -0.71 -0.51 114.58 121.36 3kbl h GLU 171 Ca 0.48 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3kbl h GLU 171 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3kbl h GLU 171 CO -0.25 0.85 0.09 0.00 -1.00 0.00 0.00 179.01 178.70 3kbl h ARG 172 N 0.61 0.27 -0.41 2.33 3.08 -0.99 -0.06 114.38 119.21 3kbl h ARG 172 Ca 0.12 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.21 3kbl h ARG 172 Cb 0.50 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3kbl h ARG 172 CO 0.02 0.29 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.12 3kbl h LEU 173 N 0.17 -0.23 -0.25 3.04 3.38 -1.23 -0.11 115.31 120.08 3kbl h LEU 173 Ca 0.06 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kbl h LEU 173 Cb 0.11 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kbl h LEU 173 CO -0.01 -0.08 0.09 0.25 0.09 0.00 0.00 178.44 178.78 3kbl h LEU 174 N 0.07 0.36 -0.56 1.67 5.85 -0.80 0.07 115.31 121.98 3kbl h LEU 174 Ca 0.20 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kbl h LEU 174 Cb 0.30 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kbl h LEU 174 CO -0.36 0.45 0.36 0.44 -0.34 0.00 0.00 178.44 178.99 3kbl h ASP 175 N 0.25 0.61 -0.77 1.25 3.32 -0.77 0.11 116.42 120.42 3kbl h ASP 175 Ca 0.08 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3kbl h ASP 175 Cb 0.22 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 3kbl h ASP 175 CO -0.00 0.44 0.46 0.44 -1.72 0.00 0.00 179.24 178.85 3kbl h ASP 176 N 0.73 0.71 0.39 6.45 5.19 -0.76 -1.53 116.42 127.60 3kbl h ASP 176 Ca 0.21 0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.42 3kbl h ASP 176 Cb -0.05 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.34 3kbl h ASP 176 CO -0.06 0.45 -0.98 -0.08 -3.12 0.00 0.00 179.24 175.45 3kbl h GLU 177 N 0.84 0.38 -0.08 3.56 4.57 -0.09 -1.01 114.58 122.75 3kbl h GLU 177 Ca 0.34 -0.44 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3kbl h GLU 177 Cb 0.18 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3kbl h GLU 177 CO -0.18 1.11 0.02 0.82 -1.18 0.00 0.00 179.01 179.61 3kbl h ILE 178 N 0.20 0.97 -0.72 2.32 2.04 -0.71 0.90 117.51 122.51 3kbl h ILE 178 Ca -0.09 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3kbl h ILE 178 Cb 1.63 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 3kbl h ILE 178 CO 0.17 0.01 0.45 1.23 0.00 0.00 0.00 178.15 180.00 3kbl h GLY 179 N 0.06 1.04 0.96 5.37 0.00 -1.20 0.25 103.07 109.55 3kbl h GLY 179 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3kbl h GLY 179 CO -0.04 0.27 0.18 -0.09 0.00 0.00 0.00 176.54 176.86 3kbl h ARG 180 N 0.86 0.67 -0.44 4.80 2.43 -0.92 -2.29 114.38 119.48 3kbl h ARG 180 Ca 0.29 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3kbl h ARG 180 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kbl h ARG 180 CO -0.12 0.60 -0.28 0.28 -1.51 0.00 0.00 179.97 178.94 3kbl h VAL 181 N 0.58 1.27 -0.28 0.20 2.07 -0.34 -1.81 116.25 117.95 3kbl h VAL 181 Ca 0.15 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.25 3kbl h VAL 181 Cb 0.18 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3kbl h VAL 181 CO -0.01 0.49 0.12 0.03 0.02 0.00 0.00 177.57 178.22 3kbl h ARG 182 N 0.81 0.26 -0.40 1.57 3.08 -0.91 -0.39 114.38 118.40 3kbl h ARG 182 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kbl h ARG 182 Cb 0.86 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3kbl h ARG 182 CO 0.08 0.17 0.24 0.28 -1.07 0.00 0.00 179.97 179.67 3kbl h VAL 183 N 0.27 1.14 -0.95 2.04 2.07 -1.33 -2.98 116.25 116.51 3kbl h VAL 183 Ca 0.12 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kbl h VAL 183 Cb 0.05 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3kbl h VAL 183 CO -0.09 0.14 0.57 0.00 0.02 0.00 0.00 177.57 178.21 3kbl h ALA 184 N 1.10 1.21 -0.86 1.67 0.00 -0.95 -2.43 119.26 118.99 3kbl h ALA 184 Ca 0.14 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3kbl h ALA 184 Cb 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 17.36 3kbl h ALA 184 CO -0.03 0.66 0.56 -0.07 0.00 0.00 0.00 179.25 180.37 3kbl h LEU 185 N 1.30 0.54 -3.06 0.00 3.38 -0.91 -2.67 115.31 113.89 3kbl h LEU 185 Ca 0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3kbl h LEU 185 Cb -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kbl h LEU 185 CO -0.06 0.26 0.00 0.49 0.09 0.00 0.00 178.44 179.22 3kbl n PHE 186 N -4.54 0.93 -0.24 1.13 3.01 -0.93 -5.12 117.46 111.69 3kbl n PHE 186 Ca 0.17 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.99 3kbl n PHE 186 Cb 0.54 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 3kbl n PHE 186 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81