#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkt s ARG 155 N 0.00 0.68 0.43 1.43 3.52 -1.26 -4.97 118.95 118.77 3kkt s ARG 155 Ca 0.00 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 3kkt s ARG 155 Cb 0.00 0.31 -0.10 0.00 -1.56 0.00 0.00 34.95 33.61 3kkt s ARG 155 CO 0.00 -0.17 1.00 -0.06 -0.81 0.00 0.00 175.30 175.26 3kkt s PHE 156 N -0.79 3.26 -0.49 5.12 0.40 -1.26 -4.97 117.98 119.24 3kkt s PHE 156 Ca -0.09 1.63 -0.02 0.00 -0.60 0.00 0.00 56.93 57.85 3kkt s PHE 156 Cb -0.04 -2.99 0.26 0.00 0.51 0.00 0.00 43.02 40.77 3kkt s PHE 156 CO 0.04 -0.40 2.17 0.41 0.70 0.00 0.00 175.22 178.14 3kkt n GLY 157 N -0.14 4.78 3.79 4.36 0.00 -1.26 -4.99 105.19 111.72 3kkt n GLY 157 Ca 0.07 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 3kkt n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkt s VAL 158 N -3.25 3.61 0.91 1.61 1.01 -1.26 -5.00 120.40 118.03 3kkt s VAL 158 Ca 0.48 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 3kkt s VAL 158 Cb 0.36 -3.52 0.23 0.00 0.00 0.00 0.00 36.38 33.45 3kkt s VAL 158 CO -0.09 -0.11 0.74 0.59 0.00 0.00 0.00 175.10 176.24 3kkt n ASN 159 N -0.60 -2.14 -0.01 3.32 5.03 -1.26 -4.93 115.26 114.67 3kkt n ASN 159 Ca 0.08 -0.90 -0.19 0.00 0.87 0.00 0.00 54.58 54.44 3kkt n ASN 159 Cb 0.51 -0.71 -0.14 0.00 -1.02 0.00 0.00 39.78 38.42 3kkt n ASN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3kkt n THR 160 N -4.35 1.73 -0.11 3.41 -1.04 -1.26 -3.50 114.28 109.17 3kkt n THR 160 Ca 0.11 -0.68 -0.06 0.00 -2.04 0.00 0.00 64.05 61.38 3kkt n THR 160 Cb 0.42 -1.58 0.02 0.00 -1.82 0.00 0.00 70.33 67.37 3kkt n THR 160 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3kkt h GLU 161 N 0.05 0.27 -0.32 -2.82 5.08 -2.02 -3.07 114.58 111.75 3kkt h GLU 161 Ca -0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3kkt h GLU 161 Cb 2.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3kkt h GLU 161 CO 0.07 0.18 0.00 0.27 -1.00 0.00 0.00 179.01 178.53 3kkt n ASN 162 N -5.02 3.26 0.04 1.42 2.04 -1.26 -3.53 115.26 112.21 3kkt n ASN 162 Ca 0.01 -1.95 -0.05 0.00 -0.44 0.00 0.00 54.58 52.16 3kkt n ASN 162 Cb 0.13 -0.20 0.15 0.00 -2.53 0.00 0.00 39.78 37.33 3kkt n ASN 162 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3kkt h GLU 163 N 4.12 0.40 0.07 -3.83 5.08 -1.57 -1.81 114.58 117.04 3kkt h GLU 163 Ca 0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3kkt h GLU 163 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3kkt h GLU 163 CO 0.00 0.76 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.29 3kkt h ASP 164 N 0.33 -0.08 -0.88 1.42 3.45 -1.59 -0.54 116.42 118.54 3kkt h ASP 164 Ca 0.03 -0.16 0.06 0.00 0.43 0.00 0.00 57.03 57.39 3kkt h ASP 164 Cb 0.89 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.62 3kkt h ASP 164 CO 0.07 0.11 0.58 0.45 -1.57 0.00 0.00 179.24 178.88 3kkt h HIS 165 N -0.27 1.02 -0.06 4.55 3.86 -1.61 -0.79 115.15 121.85 3kkt h HIS 165 Ca -0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3kkt h HIS 165 Cb 0.23 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 3kkt h HIS 165 CO -0.02 0.55 -0.05 1.25 0.86 0.00 0.00 177.93 180.53 3kkt h LEU 166 N 1.02 0.15 -1.34 2.43 5.85 -1.23 -2.46 115.31 119.73 3kkt h LEU 166 Ca 0.37 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3kkt h LEU 166 Cb 0.16 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kkt h LEU 166 CO -0.13 0.58 -0.18 0.00 -0.34 0.00 0.00 178.44 178.37 3kkt h ALA 167 N 0.58 1.46 -0.18 1.25 0.00 -0.84 -1.24 119.26 120.29 3kkt h ALA 167 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kkt h ALA 167 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kkt h ALA 167 CO 0.01 0.38 0.09 -0.22 0.00 0.00 0.00 179.25 179.52 3kkt h LYS 168 N 0.20 0.25 -0.41 0.00 3.64 -1.15 -2.95 116.57 116.15 3kkt h LYS 168 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3kkt h LYS 168 Cb 0.45 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3kkt h LYS 168 CO 0.03 0.27 0.09 1.49 -2.27 0.00 0.00 179.45 179.06 3kkt h GLU 169 N 0.17 0.61 0.00 1.90 4.57 -0.92 -2.77 114.58 118.14 3kkt h GLU 169 Ca 0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kkt h GLU 169 Cb 0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kkt h GLU 169 CO -0.01 0.57 0.00 1.28 -1.18 0.00 0.00 179.01 179.67 3kkt n LEU 170 N -4.32 0.00 -0.25 1.64 4.77 -0.52 -2.54 117.00 115.78 3kkt n LEU 170 Ca 0.03 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 3kkt n LEU 170 Cb 0.20 -0.27 0.29 0.00 -2.33 0.00 0.00 43.42 41.31 3kkt n LEU 170 CO 0.38 -0.11 1.23 -0.33 -1.33 0.00 0.00 177.39 177.24 3kkt h GLU 171 N 0.00 0.88 -0.56 3.23 5.08 -1.48 -2.50 114.58 119.23 3kkt h GLU 171 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kkt h GLU 171 Cb 0.16 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kkt h GLU 171 CO 0.00 0.58 0.00 -0.25 -1.00 0.00 0.00 179.01 178.34 3kkt n ASP 172 N -4.48 1.35 -0.25 1.42 8.00 -1.05 -4.47 116.55 117.06 3kkt n ASP 172 Ca 0.12 -2.09 0.06 0.00 0.71 0.00 0.00 54.79 53.59 3kkt n ASP 172 Cb 0.21 -0.33 0.19 0.00 -0.02 0.00 0.00 41.12 41.17 3kkt n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kkt h LEU 173 N 0.77 0.03 -1.28 0.64 5.85 -1.66 0.53 115.31 120.20 3kkt h LEU 173 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kkt h LEU 173 Cb 0.50 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3kkt h LEU 173 CO 0.05 -0.04 0.00 0.59 -0.34 0.00 0.00 178.44 178.70 3kkt n ASN 174 N -5.15 1.86 -4.47 1.25 3.02 -1.26 -4.80 115.26 105.71 3kkt n ASN 174 Ca 0.15 -2.04 -0.32 0.00 -0.03 0.00 0.00 54.58 52.33 3kkt n ASN 174 Cb 0.48 -0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 39.26 3kkt n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kkt s LYS 175 N -1.59 2.42 0.60 3.52 1.02 0.18 -4.84 119.74 121.04 3kkt s LYS 175 Ca 0.22 -0.75 0.37 0.00 0.02 0.00 0.00 55.97 55.82 3kkt s LYS 175 Cb 0.12 -2.34 1.88 0.00 -0.52 0.00 0.00 37.83 36.97 3kkt s LYS 175 CO 0.14 0.61 2.19 2.35 -0.92 0.00 0.00 175.35 179.71 3kkt h TRP 176 N 5.19 0.00 -0.10 3.18 2.91 -1.90 -2.68 115.95 122.54 3kkt h TRP 176 Ca -0.47 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.55 3kkt h TRP 176 Cb 1.15 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3kkt h TRP 176 CO 0.50 0.03 0.00 0.41 -1.03 0.00 0.00 178.44 178.35 3kkt n GLY 177 N -0.68 -0.03 3.70 2.65 0.00 -1.26 -4.91 105.19 104.66 3kkt n GLY 177 Ca -0.02 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3kkt n GLY 177 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kkt n LEU 178 N 0.06 3.68 -4.60 0.99 0.00 -1.01 -4.95 117.00 111.17 3kkt n LEU 178 Ca 0.17 1.06 -0.42 0.00 0.00 0.00 0.00 56.01 56.82 3kkt n LEU 178 Cb 0.29 -1.52 -0.04 0.00 0.00 0.00 0.00 43.42 42.14 3kkt n LEU 178 CO 0.14 0.02 0.67 0.21 0.00 0.00 0.00 177.39 178.42 3kkt s ASN 179 N 1.28 6.64 0.09 1.96 3.84 -1.26 -4.93 114.94 122.57 3kkt s ASN 179 Ca 0.77 0.54 0.12 0.00 0.21 0.00 0.00 52.86 54.51 3kkt s ASN 179 Cb -0.57 -2.43 -0.15 0.00 -0.55 0.00 0.00 41.25 37.55 3kkt s ASN 179 CO 0.35 -0.76 1.04 -0.29 -2.79 0.00 0.00 177.10 174.65 3kkt h ILE 180 N 5.74 1.04 -0.91 -5.21 6.09 -1.99 -3.33 117.51 118.95 3kkt h ILE 180 Ca -0.24 -2.68 -0.01 0.00 -1.37 0.00 0.00 64.86 60.56 3kkt h ILE 180 Cb 1.09 2.47 -0.04 0.00 0.47 0.00 0.00 36.82 40.80 3kkt h ILE 180 CO 0.94 0.60 0.54 -0.26 -3.07 0.00 0.00 178.15 176.89 3kkt h PHE 181 N 0.00 1.21 -0.19 2.19 0.04 -1.96 -2.02 116.94 116.21 3kkt h PHE 181 Ca -0.12 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 3kkt h PHE 181 Cb 1.73 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 3kkt h PHE 181 CO 0.00 0.81 0.06 -0.91 -0.60 0.00 0.00 178.31 177.67 3kkt h ASN 182 N 1.26 0.27 0.06 2.17 2.35 -2.00 -2.79 115.58 116.91 3kkt h ASN 182 Ca 0.33 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3kkt h ASN 182 Cb -0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3kkt h ASN 182 CO -0.06 0.39 -0.12 1.62 -1.65 0.00 0.00 177.43 177.61 3kkt h VAL 183 N 0.14 1.15 -0.20 2.81 3.04 -1.61 -1.92 116.25 119.66 3kkt h VAL 183 Ca 0.06 -0.65 0.01 0.00 -1.01 0.00 0.00 66.70 65.11 3kkt h VAL 183 Cb 0.22 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3kkt h VAL 183 CO -0.00 0.20 0.10 0.00 -1.01 0.00 0.00 177.57 176.86 3kkt h ALA 184 N 1.73 0.24 0.00 3.17 0.00 -1.23 -2.16 119.26 121.01 3kkt h ALA 184 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kkt h ALA 184 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kkt h ALA 184 CO 0.02 -0.31 -0.08 0.78 0.00 0.00 0.00 179.25 179.66 3kkt h GLY 185 N 0.22 0.00 0.67 0.00 0.00 -1.08 -2.10 103.07 100.78 3kkt h GLY 185 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3kkt h GLY 185 CO -0.05 0.00 -0.93 -1.72 0.00 0.00 0.00 176.54 173.84 3kkt n TYR 186 N -4.18 0.26 -1.21 5.60 4.01 -1.03 -4.34 117.16 116.27 3kkt n TYR 186 Ca -0.03 0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 3kkt n TYR 186 Cb 0.16 -0.42 0.24 0.00 -0.31 0.00 0.00 39.34 39.01 3kkt n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kkt n SER 187 N -1.91 3.50 -3.39 7.72 3.41 -0.83 -4.77 113.62 117.36 3kkt n SER 187 Ca 0.03 -3.43 -0.23 0.00 -0.26 0.00 0.00 58.87 54.98 3kkt n SER 187 Cb 0.42 -0.65 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3kkt n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kkt n HIS 188 N -0.76 -2.57 -3.42 7.33 8.25 -1.25 -2.23 115.22 120.57 3kkt n HIS 188 Ca 0.34 0.85 -0.25 0.00 -0.26 0.00 0.00 57.72 58.41 3kkt n HIS 188 Cb 1.14 -4.86 0.04 0.00 1.12 0.00 0.00 29.99 27.43 3kkt n HIS 188 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3kkt n ASN 189 N -2.83 -5.66 -2.85 0.41 2.85 -0.81 -4.95 115.26 101.41 3kkt n ASN 189 Ca -0.03 -0.48 -0.29 0.00 -0.11 0.00 0.00 54.58 53.67 3kkt n ASN 189 Cb 0.58 -4.53 -0.01 0.00 1.24 0.00 0.00 39.78 37.06 3kkt n ASN 189 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kkt n ARG 190 N -4.43 3.50 0.07 1.20 5.12 -0.95 -4.91 116.66 116.26 3kkt n ARG 190 Ca -0.03 -4.63 0.01 0.00 -1.93 0.00 0.00 57.85 51.26 3kkt n ARG 190 Cb 0.57 -2.27 0.33 0.00 -1.16 0.00 0.00 32.46 29.93 3kkt n ARG 190 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kkt h PRO 191 N 2.97 0.35 -0.09 5.56 0.13 -1.85 -2.49 132.00 136.58 3kkt h PRO 191 Ca 0.26 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3kkt h PRO 191 Cb 0.59 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3kkt h PRO 191 CO 0.91 0.49 0.01 1.25 -0.23 0.00 0.00 178.00 180.43 3kkt h LEU 192 N 0.33 0.15 -0.13 1.56 5.85 -1.91 -0.79 115.31 120.37 3kkt h LEU 192 Ca 0.06 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3kkt h LEU 192 Cb 0.43 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kkt h LEU 192 CO 0.03 0.39 -0.03 0.74 -0.34 0.00 0.00 178.44 179.22 3kkt h THR 193 N -0.09 1.29 -0.26 1.05 2.02 -1.84 -1.39 112.91 113.70 3kkt h THR 193 Ca 0.03 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.28 3kkt h THR 193 Cb 0.30 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 3kkt h THR 193 CO 0.00 0.29 -0.10 0.00 0.37 0.00 0.00 175.52 176.07 3kkt h ILE 195 N -0.06 1.26 -0.24 0.00 6.09 -1.06 -2.57 117.51 120.93 3kkt h ILE 195 Ca 0.13 -1.22 -0.16 0.00 -1.37 0.00 0.00 64.86 62.24 3kkt h ILE 195 Cb 0.26 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 3kkt h ILE 195 CO -0.30 0.41 -0.50 0.24 -3.07 0.00 0.00 178.15 174.92 3kkt h MET 196 N 0.63 0.68 0.35 2.19 2.86 -0.92 -0.40 114.93 120.32 3kkt h MET 196 Ca 0.10 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3kkt h MET 196 Cb 0.64 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3kkt h MET 196 CO 0.04 1.02 -0.17 -0.92 1.06 0.00 0.00 176.91 177.94 3kkt h TYR 197 N 0.53 -0.44 -0.40 -0.22 3.20 -1.05 0.39 116.97 118.98 3kkt h TYR 197 Ca 0.02 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 3kkt h TYR 197 Cb 1.06 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 3kkt h TYR 197 CO 0.05 -0.23 -0.25 0.00 -1.64 0.00 0.00 178.16 176.10 3kkt h ALA 198 N 0.08 -0.01 -0.43 1.82 0.00 -1.40 -1.36 119.26 117.97 3kkt h ALA 198 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kkt h ALA 198 Cb 0.41 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kkt h ALA 198 CO 0.08 -0.62 0.27 0.82 0.00 0.00 0.00 179.25 179.80 3kkt h ILE 199 N -0.18 1.12 -0.02 0.00 2.04 -0.96 0.47 117.51 119.99 3kkt h ILE 199 Ca 0.19 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kkt h ILE 199 Cb 0.48 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3kkt h ILE 199 CO -0.50 0.12 -0.14 -0.26 0.00 0.00 0.00 178.15 177.37 3kkt h PHE 200 N 0.57 0.03 0.01 1.37 -1.00 -0.51 -1.92 116.94 115.50 3kkt h PHE 200 Ca 0.16 -0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.65 3kkt h PHE 200 Cb -0.03 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 3kkt h PHE 200 CO -0.04 0.18 -1.62 1.96 -1.61 0.00 0.00 178.31 177.18 3kkt h GLN 201 N 0.03 0.01 -0.65 1.51 4.20 -0.90 0.26 115.11 119.57 3kkt h GLN 201 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3kkt h GLN 201 Cb 0.28 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3kkt h GLN 201 CO 0.02 0.59 0.32 1.49 -0.67 0.00 0.00 178.83 180.59 3kkt h GLU 202 N 0.00 0.92 -0.27 1.46 4.57 -0.68 -2.94 114.58 117.63 3kkt h GLU 202 Ca -0.25 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3kkt h GLU 202 Cb 1.98 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 3kkt h GLU 202 CO 0.09 0.70 0.00 0.54 -1.18 0.00 0.00 179.01 179.16 3kkt n ARG 203 N -4.35 2.32 -2.13 1.92 1.74 -0.74 -4.95 116.66 110.47 3kkt n ARG 203 Ca 0.06 -1.98 -0.19 0.00 -0.77 0.00 0.00 57.85 54.97 3kkt n ARG 203 Cb 0.13 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3kkt n ARG 203 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kkt n ASP 204 N 1.24 -5.29 0.11 0.55 8.00 -1.02 -4.90 116.55 115.24 3kkt n ASP 204 Ca 0.18 0.18 0.01 0.00 0.71 0.00 0.00 54.79 55.86 3kkt n ASP 204 Cb 0.55 -4.51 0.32 0.00 -0.02 0.00 0.00 41.12 37.46 3kkt n ASP 204 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kkt h LEU 205 N 0.00 0.23 -0.48 0.64 3.38 -0.79 -2.10 115.31 116.19 3kkt h LEU 205 Ca -0.43 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 3kkt h LEU 205 Cb 1.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3kkt h LEU 205 CO 0.54 0.49 -0.02 -0.07 0.09 0.00 0.00 178.44 179.47 3kkt h LEU 206 N 0.21 0.85 -0.01 1.67 3.38 -1.86 -2.17 115.31 117.37 3kkt h LEU 206 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kkt h LEU 206 Cb 0.56 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kkt h LEU 206 CO 0.04 0.96 0.00 0.11 0.09 0.00 0.00 178.44 179.64 3kkt h LYS 207 N 0.72 0.02 0.49 1.13 1.57 -1.78 -0.15 116.57 118.57 3kkt h LYS 207 Ca 0.13 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3kkt h LYS 207 Cb 0.53 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3kkt h LYS 207 CO 0.03 0.24 -0.47 1.15 -0.57 0.00 0.00 179.45 179.82 3kkt h THR 208 N -0.20 0.07 -0.43 -0.16 2.02 -1.37 -3.11 112.91 109.73 3kkt h THR 208 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kkt h THR 208 Cb 0.22 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3kkt h THR 208 CO -0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 3kkt n PHE 209 N -5.55 0.96 -3.58 3.16 3.72 -0.82 -4.91 117.46 110.44 3kkt n PHE 209 Ca -0.12 -0.39 -0.20 0.00 -0.05 0.00 0.00 57.45 56.70 3kkt n PHE 209 Cb 0.45 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 3kkt n PHE 209 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kkt n ARG 210 N 0.69 -5.86 -3.60 -1.08 5.12 -0.66 -4.61 116.66 106.66 3kkt n ARG 210 Ca 0.17 0.73 -0.39 0.00 -1.93 0.00 0.00 57.85 56.43 3kkt n ARG 210 Cb 0.61 -5.54 -0.11 0.00 -1.16 0.00 0.00 32.46 26.26 3kkt n ARG 210 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kkt s ILE 211 N -3.50 4.98 0.28 0.55 1.01 -0.16 -4.66 121.20 119.70 3kkt s ILE 211 Ca 0.06 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 3kkt s ILE 211 Cb -0.03 -3.51 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3kkt s ILE 211 CO 0.77 0.08 1.62 -0.24 0.00 0.00 0.00 174.94 177.18 3kkt n SER 212 N 5.04 3.93 0.08 3.58 2.88 -1.26 -4.72 113.62 123.16 3kkt n SER 212 Ca -0.13 1.13 0.01 0.00 -1.33 0.00 0.00 58.87 58.55 3kkt n SER 212 Cb 0.50 -1.60 0.33 0.00 -0.75 0.00 0.00 64.21 62.69 3kkt n SER 212 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3kkt h SER 213 N 5.11 0.30 0.74 -3.46 4.64 -1.97 0.78 113.55 119.69 3kkt h SER 213 Ca -0.46 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 3kkt h SER 213 Cb 1.22 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3kkt h SER 213 CO 0.82 0.48 -0.42 -0.78 -0.87 0.00 0.00 176.83 176.06 3kkt h ASP 214 N 0.29 -1.03 -0.55 4.97 3.58 -1.94 -0.53 116.42 121.21 3kkt h ASP 214 Ca 0.06 0.05 0.11 0.00 0.42 0.00 0.00 57.03 57.66 3kkt h ASP 214 Cb 0.45 0.29 -0.09 0.00 1.72 0.00 0.00 39.33 41.71 3kkt h ASP 214 CO 0.03 -0.66 0.04 0.74 -2.88 0.00 0.00 179.24 176.50 3kkt h THR 215 N -1.07 0.60 0.51 2.25 2.02 -1.65 0.85 112.91 116.40 3kkt h THR 215 Ca -0.10 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3kkt h THR 215 Cb 0.85 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3kkt h THR 215 CO 0.12 0.03 -0.33 0.15 0.37 0.00 0.00 175.52 175.86 3kkt h PHE 216 N 0.16 -0.87 -0.79 3.16 3.57 -0.71 0.28 116.94 121.73 3kkt h PHE 216 Ca 0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3kkt h PHE 216 Cb 0.43 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 3kkt h PHE 216 CO -0.30 -0.50 0.52 0.82 -2.23 0.00 0.00 178.31 176.62 3kkt h ILE 217 N -0.80 1.19 0.07 1.41 2.04 -0.91 -0.07 117.51 120.44 3kkt h ILE 217 Ca -0.06 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3kkt h ILE 217 Cb 0.66 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3kkt h ILE 217 CO 0.05 0.19 -0.17 0.74 0.00 0.00 0.00 178.15 178.96 3kkt h THR 218 N 1.07 0.60 -0.32 -0.27 2.02 -0.61 0.63 112.91 116.03 3kkt h THR 218 Ca 0.29 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.50 3kkt h THR 218 Cb -0.11 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3kkt h THR 218 CO -0.07 0.00 0.16 0.22 0.37 0.00 0.00 175.52 176.20 3kkt h TYR 219 N -0.32 0.29 -0.77 3.16 3.20 -0.69 -2.02 116.97 119.82 3kkt h TYR 219 Ca 0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3kkt h TYR 219 Cb 0.35 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3kkt h TYR 219 CO -0.19 0.15 0.31 0.52 -1.64 0.00 0.00 178.16 177.31 3kkt h MET 220 N 0.33 1.16 -0.65 1.82 2.86 -0.67 0.22 114.93 119.99 3kkt h MET 220 Ca 0.14 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 3kkt h MET 220 Cb 0.05 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3kkt h MET 220 CO -0.10 0.94 0.09 0.52 1.06 0.00 0.00 176.91 179.43 3kkt h MET 221 N 1.12 1.08 0.13 1.72 2.86 -0.78 0.31 114.93 121.36 3kkt h MET 221 Ca 0.26 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3kkt h MET 221 Cb 0.22 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kkt h MET 221 CO -0.02 0.99 -0.06 1.15 1.06 0.00 0.00 176.91 180.03 3kkt h THR 222 N 1.01 0.98 -0.18 2.22 2.02 -0.90 -2.71 112.91 115.35 3kkt h THR 222 Ca 0.20 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3kkt h THR 222 Cb 0.45 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 3kkt h THR 222 CO 0.01 0.11 -0.23 0.25 0.37 0.00 0.00 175.52 176.04 3kkt h LEU 223 N -0.39 -0.72 -1.69 2.58 5.85 -0.42 -2.23 115.31 118.28 3kkt h LEU 223 Ca -0.02 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kkt h LEU 223 Cb 0.32 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3kkt h LEU 223 CO 0.03 -0.27 0.25 -0.08 -0.34 0.00 0.00 178.44 178.03 3kkt h GLU 224 N -0.26 0.39 0.00 1.25 4.81 -0.96 -0.91 114.58 118.90 3kkt h GLU 224 Ca 0.12 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3kkt h GLU 224 Cb 0.44 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3kkt h GLU 224 CO -0.33 0.26 -0.10 0.22 -0.73 0.00 0.00 179.01 178.33 3kkt h ASP 225 N 0.40 0.00 -0.05 1.04 -0.00 -1.07 -1.77 116.42 114.97 3kkt h ASP 225 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 3kkt h ASP 225 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 3kkt h ASP 225 CO -0.04 0.10 0.00 1.41 -0.00 0.00 0.00 179.24 180.71 3kkt n HIS 226 N -3.19 0.06 -3.01 0.28 8.25 -0.35 -4.74 115.22 112.52 3kkt n HIS 226 Ca 0.01 -0.03 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 3kkt n HIS 226 Cb 0.41 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 3kkt n HIS 226 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kkt s TYR 227 N -1.94 3.81 -0.57 4.41 1.51 -0.67 -0.92 117.35 122.98 3kkt s TYR 227 Ca 0.35 1.56 -0.24 0.00 -1.01 0.00 0.00 57.07 57.73 3kkt s TYR 227 Cb 0.17 -2.72 0.05 0.00 -0.11 0.00 0.00 41.96 39.34 3kkt s TYR 227 CO 0.28 0.44 0.93 -1.01 -1.11 0.00 0.00 175.55 175.08 3kkt s HIS 228 N -1.29 2.78 0.36 2.71 3.76 -1.26 -4.85 115.29 117.49 3kkt s HIS 228 Ca 0.39 -0.15 0.37 0.00 -0.15 0.00 0.00 55.06 55.52 3kkt s HIS 228 Cb -0.21 -4.09 1.78 0.00 1.11 0.00 0.00 32.58 31.17 3kkt s HIS 228 CO 0.24 -1.40 2.14 0.66 -0.85 0.00 0.00 174.74 175.53 3kkt h SER 229 N 9.35 0.00 0.45 1.40 4.64 -1.93 -1.57 113.55 125.90 3kkt h SER 229 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kkt h SER 229 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3kkt h SER 229 CO 1.10 0.02 -0.00 -0.90 -0.87 0.00 0.00 176.83 176.18 3kkt n ASP 230 N -3.16 0.02 -4.72 4.97 5.75 -1.26 -4.79 116.55 113.36 3kkt n ASP 230 Ca -0.01 -0.33 -0.37 0.00 -0.01 0.00 0.00 54.79 54.07 3kkt n ASP 230 Cb 0.21 -0.22 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 3kkt n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kkt s VAL 231 N -2.46 5.25 0.08 2.12 1.01 -0.59 -5.01 120.40 120.80 3kkt s VAL 231 Ca 0.32 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 3kkt s VAL 231 Cb 0.21 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 3kkt s VAL 231 CO 0.44 0.35 1.68 0.00 0.00 0.00 0.00 175.10 177.57 3kkt h ALA 232 N 6.80 -0.07 0.00 5.51 0.00 -1.86 -3.39 119.26 126.24 3kkt h ALA 232 Ca -0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3kkt h ALA 232 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kkt h ALA 232 CO 0.75 -0.52 -1.06 0.98 0.00 0.00 0.00 179.25 179.41 3kkt n TYR 233 N -5.10 0.00 -1.08 0.00 9.36 -1.26 -4.75 117.16 114.34 3kkt n TYR 233 Ca -0.08 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.82 3kkt n TYR 233 Cb 0.08 -0.49 -0.03 0.00 -0.63 0.00 0.00 39.34 38.28 3kkt n TYR 233 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3kkt n HIS 234 N -4.29 1.98 -4.56 2.98 8.25 -1.26 -4.23 115.22 114.09 3kkt n HIS 234 Ca -0.17 -2.63 -0.24 0.00 -0.26 0.00 0.00 57.72 54.41 3kkt n HIS 234 Cb 0.50 -2.16 -0.05 0.00 1.12 0.00 0.00 29.99 29.40 3kkt n HIS 234 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kkt n ASN 235 N 3.82 3.01 -0.08 0.41 0.23 -1.26 -4.51 115.26 116.88 3kkt n ASN 235 Ca 0.65 -2.67 0.19 0.00 -0.53 0.00 0.00 54.58 52.22 3kkt n ASN 235 Cb 0.19 0.28 0.62 0.00 -2.08 0.00 0.00 39.78 38.79 3kkt n ASN 235 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3kkt h SER 236 N 0.92 0.15 -0.36 0.53 4.64 -1.87 -1.01 113.55 116.57 3kkt h SER 236 Ca -0.31 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 3kkt h SER 236 Cb 0.96 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 3kkt h SER 236 CO 0.52 0.08 0.07 0.25 -0.87 0.00 0.00 176.83 176.88 3kkt h LEU 237 N 0.16 0.00 -0.97 5.97 5.85 -1.96 0.34 115.31 124.71 3kkt h LEU 237 Ca 0.31 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3kkt h LEU 237 Cb 1.00 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3kkt h LEU 237 CO -0.05 0.04 0.43 -0.74 -0.34 0.00 0.00 178.44 177.78 3kkt h HIS 238 N 0.19 1.15 -0.36 1.25 2.76 -1.35 -0.76 115.15 118.03 3kkt h HIS 238 Ca 0.17 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 3kkt h HIS 238 Cb 0.20 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3kkt h HIS 238 CO -0.19 0.81 -0.28 0.00 -1.30 0.00 0.00 177.93 176.97 3kkt h ALA 239 N 1.31 0.52 -0.58 5.26 0.00 -1.42 -1.03 119.26 123.31 3kkt h ALA 239 Ca 0.29 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kkt h ALA 239 Cb 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3kkt h ALA 239 CO -0.04 0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.96 3kkt h ALA 240 N 0.77 0.74 0.25 0.00 0.00 -0.69 -0.45 119.26 119.88 3kkt h ALA 240 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kkt h ALA 240 Cb 0.86 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kkt h ALA 240 CO 0.07 -0.20 -0.12 0.22 0.00 0.00 0.00 179.25 179.23 3kkt h ASP 241 N 0.40 -0.29 -0.88 0.00 3.58 -0.85 -0.85 116.42 117.53 3kkt h ASP 241 Ca 0.29 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.76 3kkt h ASP 241 Cb 0.34 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 3kkt h ASP 241 CO -0.29 -0.17 0.57 0.58 -2.88 0.00 0.00 179.24 177.05 3kkt h VAL 242 N -0.38 1.12 -0.18 2.25 2.07 -1.06 0.23 116.25 120.30 3kkt h VAL 242 Ca -0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3kkt h VAL 242 Cb 0.29 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3kkt h VAL 242 CO 0.06 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.91 3kkt h ALA 243 N 1.38 0.24 -0.51 1.67 0.00 -0.96 0.10 119.26 121.17 3kkt h ALA 243 Ca 0.36 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kkt h ALA 243 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kkt h ALA 243 CO -0.13 -0.15 -0.08 0.37 0.00 0.00 0.00 179.25 179.26 3kkt h GLN 244 N 0.13 0.96 -0.31 0.00 -0.00 -0.86 -0.83 115.11 114.19 3kkt h GLN 244 Ca 0.06 -0.35 -0.04 0.00 -0.00 0.00 0.00 58.65 58.32 3kkt h GLN 244 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 3kkt h GLN 244 CO -0.00 1.01 0.01 0.77 0.00 0.00 0.00 178.83 180.62 3kkt h SER 245 N 0.82 0.44 0.02 -0.69 0.02 -0.47 -1.95 113.55 111.74 3kkt h SER 245 Ca 0.13 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3kkt h SER 245 Cb 0.63 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3kkt h SER 245 CO 0.04 0.50 -0.01 0.74 -1.14 0.00 0.00 176.83 176.96 3kkt h THR 246 N 0.46 1.29 -0.77 -2.27 2.02 -0.50 -2.37 112.91 110.77 3kkt h THR 246 Ca 0.10 -0.94 0.15 0.00 0.77 0.00 0.00 66.41 66.49 3kkt h THR 246 Cb 0.28 1.92 -0.15 0.00 -1.74 0.00 0.00 68.15 68.46 3kkt h THR 246 CO 0.01 0.24 -0.19 -0.74 0.37 0.00 0.00 175.52 175.21 3kkt h HIS 247 N -0.43 -0.40 -0.38 3.16 -0.00 -0.90 0.17 115.15 116.38 3kkt h HIS 247 Ca -0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3kkt h HIS 247 Cb 0.41 0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 3kkt h HIS 247 CO 0.06 -0.33 0.22 0.28 -0.00 0.00 0.00 177.93 178.16 3kkt h VAL 248 N 0.00 1.13 0.00 5.26 2.07 -1.33 -2.78 116.25 120.60 3kkt h VAL 248 Ca 0.37 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3kkt h VAL 248 Cb 0.57 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3kkt h VAL 248 CO -0.79 0.14 -0.17 -0.07 0.02 0.00 0.00 177.57 176.70 3kkt h LEU 249 N 0.49 0.00 -1.84 2.57 3.38 -0.44 -1.41 115.31 118.06 3kkt h LEU 249 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kkt h LEU 249 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kkt h LEU 249 CO -0.02 0.17 -0.01 -0.07 0.09 0.00 0.00 178.44 178.59 3kkt h LEU 250 N 0.00 0.08 -1.17 1.67 -0.00 -0.47 -2.95 115.31 112.47 3kkt h LEU 250 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3kkt h LEU 250 Cb 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 3kkt h LEU 250 CO 0.02 0.11 0.00 -1.20 -0.00 0.00 0.00 178.44 177.37 3kkt n SER 251 N -4.47 1.79 -4.65 -0.43 7.64 -0.53 -4.79 113.62 108.18 3kkt n SER 251 Ca -0.02 -1.65 -0.54 0.00 1.01 0.00 0.00 58.87 57.66 3kkt n SER 251 Cb 0.13 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 3kkt n SER 251 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kkt n THR 252 N 0.40 0.15 -0.31 0.44 -1.04 -1.12 -4.84 114.28 107.96 3kkt n THR 252 Ca 0.17 -0.03 0.18 0.00 -2.04 0.00 0.00 64.05 62.34 3kkt n THR 252 Cb 0.38 -1.02 0.44 0.00 -1.82 0.00 0.00 70.33 68.30 3kkt n THR 252 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3kkt h PRO 253 N 5.85 0.52 0.00 -2.82 0.11 -1.93 0.17 132.00 133.90 3kkt h PRO 253 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kkt h PRO 253 Cb 1.33 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kkt h PRO 253 CO 0.86 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 179.00 3kkt n ALA 254 N -2.44 2.01 -1.16 -0.75 0.00 -1.26 -2.15 120.51 114.76 3kkt n ALA 254 Ca 0.22 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.67 3kkt n ALA 254 Cb 0.71 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 19.00 3kkt n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kkt n LEU 255 N -1.22 2.20 -4.64 0.00 4.77 0.58 -1.18 117.00 117.51 3kkt n LEU 255 Ca 0.10 -2.98 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 3kkt n LEU 255 Cb 0.12 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3kkt n LEU 255 CO 0.13 0.71 1.59 -0.62 -1.33 0.00 0.00 177.39 177.86 3kkt s ASP 256 N -2.77 6.24 -1.55 -1.43 2.15 -0.91 -2.89 116.67 115.51 3kkt s ASP 256 Ca 0.30 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.53 3kkt s ASP 256 Cb 0.27 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 3kkt s ASP 256 CO 0.02 -1.28 0.00 0.00 -0.17 0.00 0.00 175.17 173.74 3kkt n ALA 257 N 8.59 -0.65 0.03 3.66 0.00 -1.26 -4.88 120.51 126.01 3kkt n ALA 257 Ca 0.22 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 3kkt n ALA 257 Cb 0.43 -1.93 -0.10 0.00 0.00 0.00 0.00 19.45 17.85 3kkt n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kkt h VAL 258 N 0.00 1.00 -3.03 0.00 2.07 -1.90 -3.46 116.25 110.94 3kkt h VAL 258 Ca -0.42 -2.67 -0.67 0.00 0.82 0.00 0.00 66.70 63.76 3kkt h VAL 258 Cb 1.30 2.45 -0.11 0.00 -1.52 0.00 0.00 31.29 33.41 3kkt h VAL 258 CO 0.50 0.57 -0.56 -0.36 0.02 0.00 0.00 177.57 177.74 3kkt s PHE 259 N -2.75 3.35 1.04 1.57 0.08 -1.26 -5.02 117.98 114.98 3kkt s PHE 259 Ca -0.02 0.33 -0.12 0.00 0.12 0.00 0.00 56.93 57.24 3kkt s PHE 259 Cb 0.09 -1.84 0.21 0.00 -0.57 0.00 0.00 43.02 40.91 3kkt s PHE 259 CO 0.81 0.59 1.07 0.95 -0.10 0.00 0.00 175.22 178.54 3kkt s THR 260 N -0.98 2.15 0.31 0.64 -4.23 -1.26 -4.85 115.64 107.42 3kkt s THR 260 Ca 0.15 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3kkt s THR 260 Cb -0.12 -2.37 0.21 0.00 1.34 0.00 0.00 72.50 71.57 3kkt s THR 260 CO 0.04 -0.06 1.92 0.44 -0.54 0.00 0.00 174.62 176.42 3kkt h ASP 261 N -2.10 0.77 -0.52 3.99 3.32 -1.99 -2.29 116.42 117.59 3kkt h ASP 261 Ca -0.56 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.34 3kkt h ASP 261 Cb 1.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3kkt h ASP 261 CO 0.54 0.65 0.04 0.25 -1.72 0.00 0.00 179.24 179.00 3kkt h LEU 262 N 0.85 0.91 -0.67 1.55 5.85 -1.99 0.15 115.31 121.97 3kkt h LEU 262 Ca 0.21 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3kkt h LEU 262 Cb 0.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3kkt h LEU 262 CO -0.03 0.94 -0.42 -0.33 -0.34 0.00 0.00 178.44 178.26 3kkt h GLU 263 N 0.88 0.54 -0.07 1.25 5.08 -1.86 -0.13 114.58 120.27 3kkt h GLU 263 Ca 0.17 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kkt h GLU 263 Cb 0.46 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kkt h GLU 263 CO 0.02 0.87 0.01 0.82 -1.00 0.00 0.00 179.01 179.72 3kkt h ILE 264 N 0.45 1.22 -0.22 3.13 2.04 -0.98 -2.11 117.51 121.04 3kkt h ILE 264 Ca 0.04 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.27 3kkt h ILE 264 Cb 0.92 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 3kkt h ILE 264 CO 0.08 0.19 -0.27 0.25 0.00 0.00 0.00 178.15 178.40 3kkt h LEU 265 N -0.14 -0.85 -0.02 1.44 5.85 -0.57 -2.37 115.31 118.66 3kkt h LEU 265 Ca 0.02 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3kkt h LEU 265 Cb 0.29 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3kkt h LEU 265 CO 0.00 -0.30 -0.10 0.00 -0.34 0.00 0.00 178.44 177.70 3kkt h ALA 266 N 0.68 -0.10 -0.92 1.25 0.00 -0.96 -0.16 119.26 119.06 3kkt h ALA 266 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kkt h ALA 266 Cb 0.49 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3kkt h ALA 266 CO -0.38 -0.59 0.60 0.00 0.00 0.00 0.00 179.25 178.88 3kkt h ALA 267 N 0.82 1.47 0.06 0.00 0.00 -1.24 0.25 119.26 120.62 3kkt h ALA 267 Ca 0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3kkt h ALA 267 Cb 0.23 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kkt h ALA 267 CO -0.12 0.41 -1.09 0.82 0.00 0.00 0.00 179.25 179.27 3kkt h ILE 268 N 1.08 1.37 -0.22 0.00 2.04 -1.05 -2.20 117.51 118.54 3kkt h ILE 268 Ca 0.39 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 3kkt h ILE 268 Cb 0.14 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3kkt h ILE 268 CO -0.14 0.76 0.11 0.15 0.00 0.00 0.00 178.15 179.04 3kkt h PHE 269 N 0.23 0.31 -0.68 1.37 3.57 -0.64 -2.43 116.94 118.67 3kkt h PHE 269 Ca -0.13 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.38 3kkt h PHE 269 Cb 1.76 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 3kkt h PHE 269 CO 0.08 0.29 0.44 0.00 -2.23 0.00 0.00 178.31 176.89 3kkt h ALA 270 N 0.99 0.87 -0.77 2.41 0.00 -0.51 -1.64 119.26 120.61 3kkt h ALA 270 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kkt h ALA 270 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3kkt h ALA 270 CO -0.01 0.25 0.45 0.00 0.00 0.00 0.00 179.25 179.93 3kkt h ALA 271 N 1.26 0.98 -0.15 0.00 0.00 -1.36 -1.66 119.26 118.34 3kkt h ALA 271 Ca 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kkt h ALA 271 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kkt h ALA 271 CO -0.07 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 3kkt h ALA 272 N 1.23 1.54 -0.02 0.00 0.00 -0.82 -3.22 119.26 117.97 3kkt h ALA 272 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kkt h ALA 272 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kkt h ALA 272 CO -0.05 0.33 -0.08 0.44 0.00 0.00 0.00 179.25 179.90 3kkt n ILE 273 N -4.29 0.00 0.38 0.00 -5.35 -0.72 -4.71 119.36 104.66 3kkt n ILE 273 Ca -0.01 -0.46 0.10 0.00 -0.27 0.00 0.00 62.75 62.11 3kkt n ILE 273 Cb 0.25 1.38 0.43 0.00 -1.74 0.00 0.00 39.64 39.96 3kkt n ILE 273 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kkt n HIS 274 N 0.88 0.56 -1.25 4.28 1.44 -0.65 -2.64 115.22 117.85 3kkt n HIS 274 Ca 0.11 0.23 0.01 0.00 -2.01 0.00 0.00 57.72 56.06 3kkt n HIS 274 Cb 0.48 -0.87 0.01 0.00 0.12 0.00 0.00 29.99 29.72 3kkt n HIS 274 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3kkt n ASP 275 N -2.02 0.33 -4.77 4.39 8.00 -1.26 -4.85 116.55 116.36 3kkt n ASP 275 Ca 0.02 -1.56 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 3kkt n ASP 275 Cb 0.18 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3kkt n ASP 275 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kkt n VAL 276 N -0.13 2.30 -1.47 2.53 3.14 -1.08 -2.35 118.33 121.27 3kkt n VAL 276 Ca 0.01 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.74 3kkt n VAL 276 Cb 0.55 -1.94 -0.06 0.00 -1.06 0.00 0.00 33.84 31.33 3kkt n VAL 276 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3kkt n ASP 277 N 0.20 -4.81 -4.70 6.55 2.03 -0.10 -4.36 116.55 111.37 3kkt n ASP 277 Ca 0.03 0.36 -0.42 0.00 0.52 0.00 0.00 54.79 55.28 3kkt n ASP 277 Cb 0.40 -3.64 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 3kkt n ASP 277 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3kkt s HIS 278 N -2.57 2.60 -2.15 -0.67 2.46 -0.99 -4.90 115.29 109.07 3kkt s HIS 278 Ca 0.00 0.41 0.30 0.00 0.47 0.00 0.00 55.06 56.24 3kkt s HIS 278 Cb 0.00 -3.95 1.57 0.00 -0.13 0.00 0.00 32.58 30.07 3kkt s HIS 278 CO 0.00 -3.71 2.03 -0.35 -2.47 0.00 0.00 174.74 170.24 3kkt n PRO 279 N 5.16 1.21 -1.97 2.88 -0.04 -1.26 -4.48 135.00 136.50 3kkt n PRO 279 Ca 0.15 -0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.24 3kkt n PRO 279 Cb 0.40 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 3kkt n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kkt n GLY 280 N 1.04 0.23 3.09 0.55 0.00 -1.26 -5.01 105.19 103.83 3kkt n GLY 280 Ca 0.22 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 3kkt n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kkt s VAL 281 N -2.30 0.35 0.69 1.61 -7.23 -1.26 -4.68 120.40 107.58 3kkt s VAL 281 Ca 0.00 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 3kkt s VAL 281 Cb 0.00 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.66 3kkt s VAL 281 CO 0.00 -0.84 1.06 -0.94 -0.31 0.00 0.00 175.10 174.08 3kkt s SER 282 N -2.61 5.36 0.34 4.85 1.04 -1.26 -4.91 113.70 116.50 3kkt s SER 282 Ca 0.03 1.65 0.09 0.00 0.48 0.00 0.00 55.95 58.20 3kkt s SER 282 Cb 0.03 -2.50 0.82 0.00 0.10 0.00 0.00 66.02 64.47 3kkt s SER 282 CO -0.06 -1.46 1.82 0.78 0.98 0.00 0.00 173.24 175.30 3kkt h ASN 283 N -0.65 0.68 -0.76 7.02 2.35 -1.99 -1.98 115.58 120.25 3kkt h ASN 283 Ca -0.44 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 3kkt h ASN 283 Cb 1.21 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 3kkt h ASN 283 CO 0.56 0.28 0.28 -0.61 -1.65 0.00 0.00 177.43 176.30 3kkt h GLN 284 N 0.69 1.16 -0.27 0.81 5.75 -1.92 -1.20 115.11 120.11 3kkt h GLN 284 Ca 0.52 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 3kkt h GLN 284 Cb 0.90 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 3kkt h GLN 284 CO -0.28 0.95 0.13 0.35 -2.65 0.00 0.00 178.83 177.33 3kkt h PHE 285 N 1.11 0.40 0.00 3.99 3.04 -1.74 -1.12 116.94 122.62 3kkt h PHE 285 Ca 0.25 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 3kkt h PHE 285 Cb 0.25 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3kkt h PHE 285 CO 0.02 0.37 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.53 3kkt h LEU 286 N 0.31 0.00 0.01 0.59 3.38 -1.12 -2.67 115.31 115.80 3kkt h LEU 286 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3kkt h LEU 286 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kkt h LEU 286 CO -0.01 0.08 -0.11 0.40 0.09 0.00 0.00 178.44 178.89 3kkt h ILE 287 N 0.00 1.63 0.00 1.22 2.04 -0.93 -1.83 117.51 119.65 3kkt h ILE 287 Ca -0.00 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3kkt h ILE 287 Cb 0.17 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3kkt h ILE 287 CO 0.01 0.53 0.00 0.78 0.00 0.00 0.00 178.15 179.47 3kkt h ASN 288 N -0.72 0.00 -0.03 1.72 2.35 -1.01 -1.85 115.58 116.04 3kkt h ASN 288 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kkt h ASN 288 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3kkt h ASN 288 CO 0.02 0.00 -0.01 0.35 -1.65 0.00 0.00 177.43 176.14 3kkt n THR 289 N -2.78 0.00 -3.20 2.81 -2.24 -1.03 -4.97 114.28 102.88 3kkt n THR 289 Ca -0.01 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 3kkt n THR 289 Cb 0.17 1.46 0.04 0.00 -2.10 0.00 0.00 70.33 69.90 3kkt n THR 289 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kkt n ASN 290 N 1.23 -5.83 -4.56 3.42 3.02 -0.69 -4.95 115.26 106.90 3kkt n ASN 290 Ca 0.13 -0.36 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 3kkt n ASN 290 Cb 0.56 -4.70 0.03 0.00 -0.61 0.00 0.00 39.78 35.06 3kkt n ASN 290 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kkt n SER 291 N -2.59 0.31 -0.35 6.41 2.88 -0.69 -4.79 113.62 114.79 3kkt n SER 291 Ca -0.07 0.88 0.09 0.00 -1.33 0.00 0.00 58.87 58.43 3kkt n SER 291 Cb 0.60 -1.29 0.28 0.00 -0.75 0.00 0.00 64.21 63.04 3kkt n SER 291 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3kkt h GLU 292 N 0.81 0.88 -0.55 -1.46 4.81 -1.92 -2.00 114.58 115.14 3kkt h GLU 292 Ca -0.46 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 3kkt h GLU 292 Cb 1.37 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3kkt h GLU 292 CO 0.52 0.58 0.03 -0.07 -0.73 0.00 0.00 179.01 179.34 3kkt h LEU 293 N 0.91 0.89 -0.73 1.64 3.38 -1.92 -0.21 115.31 119.27 3kkt h LEU 293 Ca 0.52 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 3kkt h LEU 293 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kkt h LEU 293 CO -0.29 0.93 -0.41 0.00 0.09 0.00 0.00 178.44 178.76 3kkt h ALA 294 N 1.16 0.91 -0.23 1.53 0.00 -1.64 -0.95 119.26 120.05 3kkt h ALA 294 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 3kkt h ALA 294 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kkt h ALA 294 CO 0.02 0.64 -0.61 -0.07 0.00 0.00 0.00 179.25 179.23 3kkt h LEU 295 N 0.40 0.86 -0.57 0.00 3.38 -1.10 -0.73 115.31 117.55 3kkt h LEU 295 Ca 0.03 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 3kkt h LEU 295 Cb 0.89 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3kkt h LEU 295 CO 0.08 1.27 -0.15 -0.03 0.09 0.00 0.00 178.44 179.69 3kkt h MET 296 N 0.57 0.99 -0.48 1.13 4.05 -0.92 -3.27 114.93 117.00 3kkt h MET 296 Ca -0.00 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3kkt h MET 296 Cb 1.20 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3kkt h MET 296 CO 0.13 1.06 0.00 0.66 0.23 0.00 0.00 176.91 178.98 3kkt n TYR 297 N -4.13 0.63 -3.05 1.39 4.01 -0.37 -4.97 117.16 110.67 3kkt n TYR 297 Ca 0.01 -0.35 -0.23 0.00 -0.16 0.00 0.00 57.90 57.17 3kkt n TYR 297 Cb 0.42 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.49 3kkt n TYR 297 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kkt n ASN 298 N 1.37 -6.20 0.00 7.72 3.02 -0.35 -2.54 115.26 118.29 3kkt n ASN 298 Ca 0.19 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3kkt n ASN 298 Cb 0.57 -5.00 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 3kkt n ASN 298 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kkt n ASP 299 N -2.56 0.00 -4.47 6.41 8.00 -0.79 -4.95 116.55 118.19 3kkt n ASP 299 Ca -0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.96 3kkt n ASP 299 Cb 0.62 -1.31 -0.10 0.00 -0.02 0.00 0.00 41.12 40.32 3kkt n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kkt s GLU 300 N -0.47 3.01 -1.35 -1.24 0.41 -1.05 -4.48 118.70 113.53 3kkt s GLU 300 Ca 0.00 -0.94 -0.04 0.00 -0.41 0.00 0.00 54.97 53.58 3kkt s GLU 300 Cb 0.00 -3.97 -0.00 0.00 -1.78 0.00 0.00 34.13 28.38 3kkt s GLU 300 CO 0.00 -0.78 0.51 0.43 -0.49 0.00 0.00 175.26 174.93 3kkt n SER 301 N 5.29 -1.27 0.16 -0.19 7.64 -1.26 -4.84 113.62 119.16 3kkt n SER 301 Ca -0.10 -1.00 -0.15 0.00 1.01 0.00 0.00 58.87 58.63 3kkt n SER 301 Cb 0.47 -3.16 -0.09 0.00 -1.01 0.00 0.00 64.21 60.43 3kkt n SER 301 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3kkt h VAL 302 N -1.87 0.00 -0.42 0.44 2.07 -1.88 -0.96 116.25 113.63 3kkt h VAL 302 Ca -0.64 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3kkt h VAL 302 Cb 1.37 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3kkt h VAL 302 CO 0.59 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.97 3kkt h LEU 303 N -0.75 0.78 -0.49 2.57 3.38 -1.94 -2.19 115.31 116.68 3kkt h LEU 303 Ca -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3kkt h LEU 303 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3kkt h LEU 303 CO -0.17 0.93 0.13 -0.33 0.09 0.00 0.00 178.44 179.10 3kkt h GLU 304 N 0.70 0.78 -0.77 1.13 3.07 -1.85 0.54 114.58 118.19 3kkt h GLU 304 Ca 0.11 -0.18 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3kkt h GLU 304 Cb 0.63 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 3kkt h GLU 304 CO 0.04 0.75 0.47 -0.91 -1.40 0.00 0.00 179.01 177.96 3kkt h ASN 305 N 0.67 0.76 -0.39 1.42 2.35 -1.10 -2.48 115.58 116.81 3kkt h ASN 305 Ca 0.16 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3kkt h ASN 305 Cb 0.31 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3kkt h ASN 305 CO -0.00 0.51 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.42 3kkt h HIS 306 N 0.90 0.87 -0.73 1.19 2.76 -0.63 -1.56 115.15 117.95 3kkt h HIS 306 Ca 0.32 -0.20 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3kkt h HIS 306 Cb 0.09 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 3kkt h HIS 306 CO -0.04 0.92 0.41 0.45 -1.30 0.00 0.00 177.93 178.37 3kkt h HIS 307 N 0.57 0.75 -0.51 5.26 3.86 0.17 -1.14 115.15 124.12 3kkt h HIS 307 Ca 0.09 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 3kkt h HIS 307 Cb 0.66 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3kkt h HIS 307 CO 0.05 0.34 0.01 -0.07 0.86 0.00 0.00 177.93 179.12 3kkt h LEU 308 N 0.73 0.87 -0.39 2.43 3.38 -1.26 -1.79 115.31 119.28 3kkt h LEU 308 Ca 0.34 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kkt h LEU 308 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kkt h LEU 308 CO -0.21 0.96 0.10 0.00 0.09 0.00 0.00 178.44 179.38 3kkt h ALA 309 N 0.94 0.52 -0.12 1.53 0.00 -0.85 -2.10 119.26 119.19 3kkt h ALA 309 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kkt h ALA 309 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kkt h ALA 309 CO 0.02 0.19 0.02 0.28 0.00 0.00 0.00 179.25 179.77 3kkt h VAL 310 N 0.49 1.21 -0.54 0.00 2.07 -1.22 0.27 116.25 118.53 3kkt h VAL 310 Ca 0.12 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.10 3kkt h VAL 310 Cb 0.30 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 3kkt h VAL 310 CO 0.00 0.19 -0.03 1.23 0.02 0.00 0.00 177.57 178.98 3kkt h GLY 311 N -0.02 0.52 1.50 2.17 0.00 -1.27 -1.68 103.07 104.29 3kkt h GLY 311 Ca 0.04 0.10 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 3kkt h GLY 311 CO 0.00 -0.17 -0.86 0.74 0.00 0.00 0.00 176.54 176.25 3kkt h PHE 312 N 0.09 0.67 -0.65 5.60 0.04 -1.34 -3.29 116.94 118.06 3kkt h PHE 312 Ca 0.27 -0.33 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3kkt h PHE 312 Cb 0.42 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3kkt h PHE 312 CO -0.36 1.13 0.28 0.87 -0.60 0.00 0.00 178.31 179.63 3kkt h LYS 313 N 0.29 0.94 0.00 1.51 1.79 -0.52 -2.75 116.57 117.83 3kkt h LYS 313 Ca -0.06 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3kkt h LYS 313 Cb 1.47 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3kkt h LYS 313 CO 0.15 0.75 0.00 1.28 -1.08 0.00 0.00 179.45 180.55 3kkt n LEU 314 N -4.32 0.00 0.24 2.94 4.77 -0.67 -1.39 117.00 118.57 3kkt n LEU 314 Ca 0.06 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 3kkt n LEU 314 Cb 0.16 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.39 3kkt n LEU 314 CO 0.39 -0.28 0.87 -0.07 -1.33 0.00 0.00 177.39 176.97 3kkt h LEU 315 N 0.00 0.00 0.00 2.23 3.38 -1.64 -3.17 115.31 116.11 3kkt h LEU 315 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kkt h LEU 315 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kkt h LEU 315 CO 0.00 0.16 -0.31 0.00 0.09 0.00 0.00 178.44 178.38 3kkt n GLN 316 N -3.35 0.00 -1.15 1.13 1.13 -0.49 -1.87 117.38 112.79 3kkt n GLN 316 Ca -0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 3kkt n GLN 316 Cb 0.38 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.37 3kkt n GLN 316 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kkt s GLU 317 N -3.00 1.11 -0.08 -1.09 2.02 -1.20 -4.87 118.70 111.59 3kkt s GLU 317 Ca 0.12 0.84 -0.34 0.00 0.02 0.00 0.00 54.97 55.62 3kkt s GLU 317 Cb 0.18 -1.79 -0.11 0.00 0.10 0.00 0.00 34.13 32.51 3kkt s GLU 317 CO 0.63 -2.35 1.90 0.39 0.02 0.00 0.00 175.26 175.85 3kkt n GLU 318 N -3.96 2.26 -2.04 1.61 -0.58 -1.26 -2.21 120.64 114.46 3kkt n GLU 318 Ca 0.07 0.83 -0.21 0.00 -0.42 0.00 0.00 57.16 57.43 3kkt n GLU 318 Cb 0.55 -2.69 -0.05 0.00 -0.57 0.00 0.00 31.44 28.69 3kkt n GLU 318 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3kkt n HIS 319 N 6.77 -0.55 -1.65 -0.32 -0.00 -1.26 -4.94 115.22 113.26 3kkt n HIS 319 Ca 0.22 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.40 3kkt n HIS 319 Cb 0.31 -3.76 0.00 0.00 -0.12 0.00 0.00 29.99 26.42 3kkt n HIS 319 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3kkt n ASP 321 N 0.00 -2.66 0.00 0.00 4.64 -0.78 -4.90 116.55 112.84 3kkt n ASP 321 Ca 0.00 -0.02 0.06 0.00 -1.38 0.00 0.00 54.79 53.44 3kkt n ASP 321 Cb 0.00 -1.42 0.30 0.00 -1.04 0.00 0.00 41.12 38.95 3kkt n ASP 321 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 3kkt n ILE 322 N -1.21 0.50 -0.43 5.18 -5.35 -1.26 -2.68 119.36 114.12 3kkt n ILE 322 Ca -0.00 0.12 0.07 0.00 -0.27 0.00 0.00 62.75 62.67 3kkt n ILE 322 Cb 0.50 -0.94 0.20 0.00 -1.74 0.00 0.00 39.64 37.65 3kkt n ILE 322 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3kkt n PHE 323 N -1.20 0.66 -0.33 4.28 3.72 -1.26 -4.68 117.46 118.66 3kkt n PHE 323 Ca 0.06 -0.61 0.02 0.00 -0.05 0.00 0.00 57.45 56.87 3kkt n PHE 323 Cb 0.07 -0.12 0.16 0.00 -0.94 0.00 0.00 39.48 38.65 3kkt n PHE 323 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3kkt h MET 324 N 2.11 0.97 -0.63 -1.08 4.05 -1.88 -3.04 114.93 115.42 3kkt h MET 324 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3kkt h MET 324 Cb 0.97 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 3kkt h MET 324 CO 0.07 0.64 0.00 0.09 0.23 0.00 0.00 176.91 177.94 3kkt n ASN 325 N -4.61 3.72 -4.92 1.39 3.02 -1.26 -4.88 115.26 107.71 3kkt n ASN 325 Ca 0.14 -2.37 -0.26 0.00 -0.03 0.00 0.00 54.58 52.05 3kkt n ASN 325 Cb 0.21 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3kkt n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kkt s LEU 326 N -1.54 3.44 0.73 3.41 1.43 -1.15 -4.88 118.68 120.11 3kkt s LEU 326 Ca 0.38 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 3kkt s LEU 326 Cb 0.25 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.92 3kkt s LEU 326 CO 0.17 -0.84 1.12 -0.89 0.23 0.00 0.00 176.35 176.14 3kkt s THR 327 N -2.83 3.03 0.33 5.49 2.01 -1.26 -4.85 115.64 117.56 3kkt s THR 327 Ca 0.51 0.42 0.07 0.00 0.31 0.00 0.00 61.69 63.00 3kkt s THR 327 Cb -0.10 -2.89 0.31 0.00 0.01 0.00 0.00 72.50 69.83 3kkt s THR 327 CO 0.44 -0.36 1.85 0.11 -0.69 0.00 0.00 174.62 175.97 3kkt h LYS 328 N -0.59 0.74 -0.13 4.92 1.79 -1.98 -1.36 116.57 119.97 3kkt h LYS 328 Ca -0.45 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 57.82 3kkt h LYS 328 Cb 1.25 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.74 3kkt h LYS 328 CO 0.51 0.49 -0.50 -0.22 -1.08 0.00 0.00 179.45 178.66 3kkt h LYS 329 N 0.77 0.57 -0.58 3.15 3.64 -1.99 -2.28 116.57 119.85 3kkt h LYS 329 Ca 0.48 -0.44 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3kkt h LYS 329 Cb 0.71 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 3kkt h LYS 329 CO -0.24 1.06 0.29 1.96 -2.27 0.00 0.00 179.45 180.25 3kkt h GLN 330 N 0.20 0.53 -0.39 1.90 4.20 -1.83 -0.82 115.11 118.90 3kkt h GLN 330 Ca -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3kkt h GLN 330 Cb 1.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3kkt h GLN 330 CO 0.10 0.35 0.19 0.00 -0.67 0.00 0.00 178.83 178.80 3kkt h ARG 331 N 0.55 0.57 -0.77 1.46 3.08 -1.29 -0.28 114.38 117.70 3kkt h ARG 331 Ca 0.26 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3kkt h ARG 331 Cb 0.19 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3kkt h ARG 331 CO -0.19 0.50 0.42 1.96 -1.07 0.00 0.00 179.97 181.59 3kkt h GLN 332 N 0.49 1.07 -0.04 0.04 4.20 -1.02 -0.30 115.11 119.56 3kkt h GLN 332 Ca 0.13 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3kkt h GLN 332 Cb 0.13 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kkt h GLN 332 CO -0.02 0.79 -0.45 1.15 -0.67 0.00 0.00 178.83 179.63 3kkt h THR 333 N 1.08 1.43 0.17 -0.54 2.02 -1.03 -2.70 112.91 113.34 3kkt h THR 333 Ca 0.27 -1.91 0.01 0.00 0.77 0.00 0.00 66.41 65.55 3kkt h THR 333 Cb 0.03 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3kkt h THR 333 CO -0.04 0.55 -0.23 0.25 0.37 0.00 0.00 175.52 176.42 3kkt h LEU 334 N -0.13 -0.63 -0.43 2.58 5.85 -0.96 -2.21 115.31 119.38 3kkt h LEU 334 Ca -0.05 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3kkt h LEU 334 Cb 1.14 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 3kkt h LEU 334 CO 0.09 -0.32 -0.21 -0.09 -0.34 0.00 0.00 178.44 177.57 3kkt h ARG 335 N -0.45 -0.12 -0.57 1.25 2.43 -1.11 0.81 114.38 116.61 3kkt h ARG 335 Ca 0.01 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3kkt h ARG 335 Cb 0.45 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3kkt h ARG 335 CO -0.09 -0.08 0.34 -0.22 -1.51 0.00 0.00 179.97 178.41 3kkt h LYS 336 N -0.13 0.66 -0.05 0.20 3.64 -1.38 -0.47 116.57 119.05 3kkt h LYS 336 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kkt h LYS 336 Cb 0.45 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3kkt h LYS 336 CO -0.51 0.44 0.01 0.52 -2.27 0.00 0.00 179.45 177.63 3kkt h MET 337 N 0.68 0.07 -0.53 1.90 2.86 -0.69 -0.89 114.93 118.34 3kkt h MET 337 Ca 0.23 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3kkt h MET 337 Cb 0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 3kkt h MET 337 CO -0.10 0.30 0.26 0.28 1.06 0.00 0.00 176.91 178.71 3kkt h VAL 338 N -0.16 0.94 -0.40 -2.22 2.07 -0.72 -0.70 116.25 115.05 3kkt h VAL 338 Ca 0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kkt h VAL 338 Cb 0.26 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3kkt h VAL 338 CO 0.00 0.09 0.26 0.40 0.02 0.00 0.00 177.57 178.34 3kkt h ILE 339 N 0.50 1.11 0.12 4.57 2.04 -0.99 -1.83 117.51 123.04 3kkt h ILE 339 Ca 0.24 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3kkt h ILE 339 Cb 0.16 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kkt h ILE 339 CO -0.17 0.11 -0.14 -0.78 0.00 0.00 0.00 178.15 177.17 3kkt h ASP 340 N 0.54 -0.36 -0.61 1.72 1.82 -0.64 -1.92 116.42 116.96 3kkt h ASP 340 Ca 0.15 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 3kkt h ASP 340 Cb -0.04 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 3kkt h ASP 340 CO -0.03 -0.21 0.32 0.24 -1.61 0.00 0.00 179.24 177.95 3kkt h MET 341 N -0.29 0.87 -0.05 0.28 2.86 -1.01 -2.60 114.93 114.99 3kkt h MET 341 Ca 0.01 -0.11 -0.21 0.00 -2.06 0.00 0.00 59.70 57.32 3kkt h MET 341 Cb 0.29 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3kkt h MET 341 CO -0.05 0.68 -0.85 0.28 1.06 0.00 0.00 176.91 178.03 3kkt h VAL 342 N 0.84 1.37 0.00 -2.22 2.07 -1.22 -2.59 116.25 114.50 3kkt h VAL 342 Ca 0.21 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 3kkt h VAL 342 Cb 0.08 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3kkt h VAL 342 CO -0.03 0.69 -0.13 -0.07 0.02 0.00 0.00 177.57 178.05 3kkt h LEU 343 N 0.29 0.00 -0.07 2.57 3.38 -1.35 -2.63 115.31 117.50 3kkt h LEU 343 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kkt h LEU 343 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3kkt h LEU 343 CO 0.15 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3kkt n ALA 344 N -2.43 2.07 1.41 1.53 0.00 -0.98 -2.71 120.51 119.40 3kkt n ALA 344 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.50 3kkt n ALA 344 Cb 0.21 -1.40 0.72 0.00 0.00 0.00 0.00 19.45 18.98 3kkt n ALA 344 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kkt n THR 345 N -1.71 0.09 -2.19 0.00 -2.24 -0.99 -4.79 114.28 102.45 3kkt n THR 345 Ca 0.05 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 3kkt n THR 345 Cb 0.30 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 3kkt n THR 345 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kkt s ASP 346 N -2.41 6.33 0.62 3.42 -1.08 -1.10 -4.88 116.67 117.57 3kkt s ASP 346 Ca 0.30 1.33 0.32 0.00 -0.52 0.00 0.00 52.55 53.98 3kkt s ASP 346 Cb 0.18 -2.53 1.79 0.00 -1.46 0.00 0.00 42.92 40.90 3kkt s ASP 346 CO 0.39 -1.35 2.10 0.24 0.52 0.00 0.00 175.17 177.07 3kkt h MET 347 N 10.87 0.00 0.00 4.34 2.86 -1.92 0.17 114.93 131.26 3kkt h MET 347 Ca -0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3kkt h MET 347 Cb 1.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 3kkt h MET 347 CO 1.03 0.00 -0.04 0.66 1.06 0.00 0.00 176.91 179.62 3kkt h SER 348 N 0.00 0.00 -0.01 1.22 4.64 -1.94 -1.96 113.55 115.51 3kkt h SER 348 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kkt h SER 348 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3kkt h SER 348 CO -0.00 0.04 -0.01 0.29 -0.87 0.00 0.00 176.83 176.27 3kkt n LYS 349 N -3.23 1.83 -0.15 4.77 4.76 0.60 -4.59 118.16 122.15 3kkt n LYS 349 Ca -0.01 -1.23 -0.03 0.00 -2.87 0.00 0.00 58.31 54.17 3kkt n LYS 349 Cb 0.22 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.99 3kkt n LYS 349 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3kkt h HIS 350 N 3.00 0.03 -0.28 2.13 -0.00 -1.43 -1.68 115.15 116.93 3kkt h HIS 350 Ca 0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.27 3kkt h HIS 350 Cb 0.65 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 3kkt h HIS 350 CO 0.00 -0.07 -0.36 0.52 -0.00 0.00 0.00 177.93 178.02 3kkt h MET 351 N 0.15 0.63 -0.01 5.26 2.86 -1.82 -1.64 114.93 120.37 3kkt h MET 351 Ca 0.23 -0.31 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 3kkt h MET 351 Cb 0.34 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3kkt h MET 351 CO -0.36 0.90 -0.70 0.66 1.06 0.00 0.00 176.91 178.46 3kkt h SER 352 N 0.53 0.07 -0.25 1.22 4.64 -1.83 -2.22 113.55 115.71 3kkt h SER 352 Ca 0.05 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3kkt h SER 352 Cb 0.87 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3kkt h SER 352 CO 0.08 0.75 -0.39 0.25 -0.87 0.00 0.00 176.83 176.64 3kkt h LEU 353 N 0.04 0.77 -0.21 5.97 5.85 -1.14 -2.42 115.31 124.17 3kkt h LEU 353 Ca -0.01 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3kkt h LEU 353 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3kkt h LEU 353 CO 0.10 1.15 0.07 0.25 -0.34 0.00 0.00 178.44 179.66 3kkt h LEU 354 N 0.42 0.31 -0.76 2.25 5.85 -1.31 -1.84 115.31 120.24 3kkt h LEU 354 Ca 0.02 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3kkt h LEU 354 Cb 0.99 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 3kkt h LEU 354 CO 0.09 0.42 0.43 0.00 -0.34 0.00 0.00 178.44 179.04 3kkt h ALA 355 N 0.89 1.04 -0.36 1.25 0.00 -1.42 0.13 119.26 120.79 3kkt h ALA 355 Ca 0.07 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kkt h ALA 355 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kkt h ALA 355 CO -0.00 0.09 -0.24 -0.44 0.00 0.00 0.00 179.25 178.66 3kkt h ASP 356 N 0.76 0.73 0.38 0.00 5.19 -1.37 -2.00 116.42 120.10 3kkt h ASP 356 Ca 0.35 -0.26 -0.11 0.00 -0.62 0.00 0.00 57.03 56.39 3kkt h ASP 356 Cb 0.26 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3kkt h ASP 356 CO -0.21 0.95 -0.47 0.25 -3.12 0.00 0.00 179.24 176.64 3kkt h LEU 357 N 0.62 0.12 -0.88 1.55 5.85 -0.67 -1.58 115.31 120.32 3kkt h LEU 357 Ca 0.08 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3kkt h LEU 357 Cb 0.74 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3kkt h LEU 357 CO 0.06 0.58 -0.46 0.11 -0.34 0.00 0.00 178.44 178.39 3kkt h LYS 358 N 0.09 0.23 0.00 1.25 1.57 -0.49 -2.07 116.57 117.15 3kkt h LYS 358 Ca 0.00 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 3kkt h LYS 358 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3kkt h LYS 358 CO 0.07 0.65 -0.56 1.15 -0.57 0.00 0.00 179.45 180.19 3kkt h THR 359 N 0.19 1.38 -0.41 -0.16 2.02 -1.08 -2.29 112.91 112.56 3kkt h THR 359 Ca 0.01 -1.93 -0.10 0.00 0.77 0.00 0.00 66.41 65.16 3kkt h THR 359 Cb 0.88 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 3kkt h THR 359 CO 0.07 0.55 -0.16 -0.03 0.37 0.00 0.00 175.52 176.31 3kkt h MET 360 N 0.00 0.78 -0.08 6.66 -1.53 -0.80 -3.09 114.93 116.86 3kkt h MET 360 Ca -0.01 -0.28 -0.17 0.00 -3.44 0.00 0.00 59.70 55.80 3kkt h MET 360 Cb 1.00 -0.05 0.01 0.00 -0.55 0.00 0.00 31.60 32.01 3kkt h MET 360 CO 0.07 0.89 -0.63 0.28 0.14 0.00 0.00 176.91 177.66 3kkt h VAL 361 N 0.69 1.35 -0.72 -5.77 2.07 -1.26 -2.85 116.25 109.76 3kkt h VAL 361 Ca 0.11 -1.95 0.20 0.00 0.82 0.00 0.00 66.70 65.88 3kkt h VAL 361 Cb 0.66 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 3kkt h VAL 361 CO 0.05 0.59 0.51 -0.33 0.02 0.00 0.00 177.57 178.41 3kkt h GLU 362 N 0.18 0.07 -0.14 1.57 5.08 -1.38 -1.89 114.58 118.07 3kkt h GLU 362 Ca -0.06 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3kkt h GLU 362 Cb 1.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 3kkt h GLU 362 CO 0.13 0.04 -0.24 0.25 -1.00 0.00 0.00 179.01 178.20 3kkt n THR 363 N -4.36 2.27 -1.98 1.13 -2.24 -1.17 -5.04 114.28 102.89 3kkt n THR 363 Ca 0.14 -2.80 -0.42 0.00 -2.27 0.00 0.00 64.05 58.70 3kkt n THR 363 Cb 0.74 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 3kkt n THR 363 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kkt s LYS 364 N -3.15 4.23 -0.02 -0.78 2.20 -0.71 -5.01 119.74 116.49 3kkt s LYS 364 Ca 0.39 2.29 0.05 0.00 -0.36 0.00 0.00 55.97 58.35 3kkt s LYS 364 Cb 0.36 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3kkt s LYS 364 CO -0.02 -0.62 -0.19 0.15 -0.36 0.00 0.00 175.35 174.32 3kkt s LYS 365 N 1.67 1.65 -0.02 4.03 1.02 -1.26 -5.08 119.74 121.75 3kkt s LYS 365 Ca 0.70 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 56.09 3kkt s LYS 365 Cb -0.41 -1.54 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 3kkt s LYS 365 CO 0.31 0.36 -0.23 0.54 -0.92 0.00 0.00 175.35 175.42 3kkt s VAL 366 N -0.30 1.81 0.81 3.17 0.11 -1.26 0.31 120.40 125.05 3kkt s VAL 366 Ca 0.04 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 58.01 3kkt s VAL 366 Cb -0.09 -1.51 0.08 0.00 -1.53 0.00 0.00 36.38 33.33 3kkt s VAL 366 CO 0.00 0.51 1.09 0.42 -3.33 0.00 0.00 175.10 173.79 3kkt s THR 367 N -0.45 3.15 0.33 5.04 -4.23 0.19 -4.85 115.64 114.83 3kkt s THR 367 Ca 0.06 0.37 0.29 0.00 -1.18 0.00 0.00 61.69 61.24 3kkt s THR 367 Cb -0.10 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.10 3kkt s THR 367 CO -0.00 -0.49 1.86 0.77 -0.54 0.00 0.00 174.62 176.22 3kkt h SER 368 N -1.21 0.00 -0.24 3.99 4.64 -2.01 0.17 113.55 118.89 3kkt h SER 368 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kkt h SER 368 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kkt h SER 368 CO 0.54 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.96 3kkt n SER 369 N -2.62 1.42 -0.36 4.97 3.41 -1.26 -4.89 113.62 114.29 3kkt n SER 369 Ca -0.02 -2.03 -0.05 0.00 -0.26 0.00 0.00 58.87 56.52 3kkt n SER 369 Cb 0.20 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3kkt n SER 369 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kkt n GLY 370 N 0.83 0.74 3.48 5.00 0.00 0.60 -5.02 105.19 110.82 3kkt n GLY 370 Ca 0.08 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3kkt n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkt s VAL 371 N -2.14 3.09 0.24 1.61 1.01 -1.23 -4.62 120.40 118.36 3kkt s VAL 371 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 3kkt s VAL 371 Cb 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.04 3kkt s VAL 371 CO 0.00 0.59 1.55 -0.11 0.00 0.00 0.00 175.10 177.13 3kkt n LEU 372 N 2.31 3.63 -4.63 3.92 0.00 -0.33 0.55 117.00 122.46 3kkt n LEU 372 Ca -0.17 1.12 -0.40 0.00 0.00 0.00 0.00 56.01 56.56 3kkt n LEU 372 Cb 0.52 -1.50 -0.07 0.00 0.00 0.00 0.00 43.42 42.37 3kkt n LEU 372 CO 0.25 -0.15 0.23 -0.22 0.00 0.00 0.00 177.39 177.51 3kkt s LEU 373 N 0.25 4.08 -0.30 -1.96 2.96 0.15 -4.75 118.68 119.10 3kkt s LEU 373 Ca 0.70 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 3kkt s LEU 373 Cb -0.58 -2.65 0.09 0.00 0.50 0.00 0.00 46.19 43.54 3kkt s LEU 373 CO 0.44 -0.25 0.04 -0.76 -1.32 0.00 0.00 176.35 174.50 3kkt s LEU 374 N 2.09 3.33 0.21 -0.68 1.43 -1.26 -4.64 118.68 119.15 3kkt s LEU 374 Ca 0.21 -1.72 -0.09 0.00 -1.03 0.00 0.00 54.13 51.51 3kkt s LEU 374 Cb -0.16 -1.25 0.15 0.00 0.03 0.00 0.00 46.19 44.96 3kkt s LEU 374 CO 0.09 -0.35 1.81 0.44 0.23 0.00 0.00 176.35 178.57 3kkt h ASP 375 N 7.86 0.99 -5.52 2.29 3.32 -1.97 -3.47 116.42 119.92 3kkt h ASP 375 Ca -0.11 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.57 3kkt h ASP 375 Cb 1.03 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.23 3kkt h ASP 375 CO 0.47 0.83 -0.29 0.54 -1.72 0.00 0.00 179.24 179.07 3kkt s ASN 376 N -6.16 0.64 0.23 6.45 2.20 -1.26 -5.06 114.94 111.98 3kkt s ASN 376 Ca -0.13 -1.38 -0.07 0.00 -0.94 0.00 0.00 52.86 50.35 3kkt s ASN 376 Cb 0.15 0.58 0.40 0.00 -2.00 0.00 0.00 41.25 40.38 3kkt s ASN 376 CO 0.81 -1.15 1.71 0.22 -2.94 0.00 0.00 177.10 175.75 3kkt h TYR 377 N 2.24 0.32 -0.92 1.54 3.20 -1.99 -1.55 116.97 119.81 3kkt h TYR 377 Ca -0.29 0.04 0.18 0.00 3.14 0.00 0.00 58.73 61.80 3kkt h TYR 377 Cb 1.24 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.40 3kkt h TYR 377 CO 1.06 -0.02 0.59 1.15 -1.64 0.00 0.00 178.16 179.30 3kkt h THR 378 N 0.32 0.75 0.14 1.81 2.02 -1.99 0.96 112.91 116.91 3kkt h THR 378 Ca 0.38 -0.21 -0.21 0.00 0.77 0.00 0.00 66.41 67.14 3kkt h THR 378 Cb 0.60 0.09 0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3kkt h THR 378 CO -0.44 0.11 -0.90 0.44 0.37 0.00 0.00 175.52 175.10 3kkt h ASP 379 N 0.60 0.56 -0.14 4.18 3.32 -1.70 -3.08 116.42 120.15 3kkt h ASP 379 Ca 0.49 -0.91 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3kkt h ASP 379 Cb 0.93 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3kkt h ASP 379 CO -0.23 1.43 0.06 0.03 -1.72 0.00 0.00 179.24 178.80 3kkt h ARG 380 N -0.22 0.21 -0.38 3.56 3.08 -0.82 -2.82 114.38 116.99 3kkt h ARG 380 Ca -0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3kkt h ARG 380 Cb 1.69 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.68 3kkt h ARG 380 CO 0.17 0.30 0.20 0.97 -1.07 0.00 0.00 179.97 180.55 3kkt h ILE 381 N 0.08 1.13 -0.67 2.04 6.09 -0.98 -1.56 117.51 123.64 3kkt h ILE 381 Ca 0.05 -0.33 -0.03 0.00 -1.37 0.00 0.00 64.86 63.17 3kkt h ILE 381 Cb 0.17 0.62 -0.03 0.00 0.47 0.00 0.00 36.82 38.05 3kkt h ILE 381 CO -0.00 0.14 0.28 -0.61 -3.07 0.00 0.00 178.15 174.89 3kkt h GLN 382 N 0.53 0.99 -0.36 2.19 4.15 -1.41 0.68 115.11 121.88 3kkt h GLN 382 Ca 0.14 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 3kkt h GLN 382 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3kkt h GLN 382 CO -0.02 0.82 -0.06 0.28 -1.93 0.00 0.00 178.83 177.91 3kkt h VAL 383 N 0.94 1.27 -0.58 2.39 2.07 -1.22 -1.69 116.25 119.44 3kkt h VAL 383 Ca 0.22 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3kkt h VAL 383 Cb 0.18 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3kkt h VAL 383 CO -0.02 0.37 0.25 -0.07 0.02 0.00 0.00 177.57 178.11 3kkt h LEU 384 N 0.47 0.79 -0.33 2.57 3.38 -0.94 0.37 115.31 121.62 3kkt h LEU 384 Ca 0.09 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3kkt h LEU 384 Cb 0.56 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3kkt h LEU 384 CO 0.03 0.73 -0.24 0.03 0.09 0.00 0.00 178.44 179.08 3kkt h ARG 385 N 0.80 -0.20 -0.02 1.13 3.08 0.48 -2.21 114.38 117.44 3kkt h ARG 385 Ca 0.20 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 3kkt h ARG 385 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3kkt h ARG 385 CO -0.02 -0.13 -0.63 -0.91 -1.07 0.00 0.00 179.97 177.21 3kkt h ASN 386 N -0.20 0.11 -0.28 7.04 2.35 -0.90 -2.79 115.58 120.91 3kkt h ASN 386 Ca 0.17 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kkt h ASN 386 Cb 0.46 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3kkt h ASN 386 CO -0.45 0.72 0.17 -0.03 -1.65 0.00 0.00 177.43 176.18 3kkt h MET 387 N 0.07 0.38 -0.35 0.81 4.05 0.09 0.04 114.93 120.02 3kkt h MET 387 Ca -0.01 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 3kkt h MET 387 Cb 1.13 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3kkt h MET 387 CO 0.09 0.29 -0.29 0.28 0.23 0.00 0.00 176.91 177.51 3kkt h VAL 388 N 0.36 1.28 -0.83 -5.77 2.07 -1.39 -1.11 116.25 110.85 3kkt h VAL 388 Ca 0.10 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3kkt h VAL 388 Cb 0.01 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3kkt h VAL 388 CO -0.02 0.46 0.43 -0.74 0.02 0.00 0.00 177.57 177.72 3kkt h HIS 389 N 0.63 1.17 -0.35 1.57 6.17 -1.28 0.18 115.15 123.23 3kkt h HIS 389 Ca 0.08 -0.04 -0.08 0.00 0.71 0.00 0.00 60.37 61.04 3kkt h HIS 389 Cb 0.80 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 3kkt h HIS 389 CO 0.04 0.83 -0.08 0.00 0.71 0.00 0.00 177.93 179.42 3kkt h ALA 391 N 0.82 1.06 -0.80 0.00 0.00 -0.78 -1.79 119.26 117.77 3kkt h ALA 391 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kkt h ALA 391 Cb 0.59 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3kkt h ALA 391 CO 0.03 0.59 0.45 0.22 0.00 0.00 0.00 179.25 180.54 3kkt h ASP 392 N 0.80 0.99 -0.92 0.00 -0.00 -0.61 -3.13 116.42 113.55 3kkt h ASP 392 Ca 0.15 -0.09 -0.59 0.00 -0.00 0.00 0.00 57.03 56.51 3kkt h ASP 392 Cb 0.46 -0.25 -0.27 0.00 -0.00 0.00 0.00 39.33 39.26 3kkt h ASP 392 CO 0.02 0.79 0.75 0.18 -0.00 0.00 0.00 179.24 180.99 3kkt n LEU 393 N -4.43 7.23 -0.25 2.28 4.77 -0.65 -4.62 117.00 121.33 3kkt n LEU 393 Ca 0.08 -3.94 0.11 0.00 -0.03 0.00 0.00 56.01 52.22 3kkt n LEU 393 Cb 0.09 -0.94 0.04 0.00 -2.33 0.00 0.00 43.42 40.27 3kkt n LEU 393 CO 0.38 1.31 0.25 -1.54 -1.33 0.00 0.00 177.39 176.46 3kkt n SER 394 N -0.82 1.40 -0.15 -1.43 3.41 -0.74 -4.58 113.62 110.72 3kkt n SER 394 Ca 0.57 -1.14 -0.03 0.00 -0.26 0.00 0.00 58.87 58.02 3kkt n SER 394 Cb 0.92 0.58 0.05 0.00 -0.26 0.00 0.00 64.21 65.50 3kkt n SER 394 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3kkt h ASN 395 N 1.23 -0.27 0.10 4.04 -0.26 -1.85 -0.62 115.58 117.95 3kkt h ASN 395 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3kkt h ASN 395 Cb 0.61 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 3kkt h ASN 395 CO 0.00 -0.09 0.00 -2.65 -1.06 0.00 0.00 177.43 173.63 3kkt n PRO 396 N -5.26 0.53 0.00 0.81 -0.02 -1.26 -2.19 135.00 127.60 3kkt n PRO 396 Ca 0.05 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3kkt n PRO 396 Cb 0.26 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 3kkt n PRO 396 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kkt n THR 397 N -1.08 0.00 -2.31 3.45 -2.24 -0.25 -4.20 114.28 107.66 3kkt n THR 397 Ca 0.13 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 3kkt n THR 397 Cb 0.09 1.16 0.06 0.00 -2.10 0.00 0.00 70.33 69.54 3kkt n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kkt s LYS 398 N -2.58 2.38 0.51 -0.78 -0.14 -0.93 -4.54 119.74 113.67 3kkt s LYS 398 Ca 0.14 -0.30 -0.22 0.00 -1.36 0.00 0.00 55.97 54.23 3kkt s LYS 398 Cb 0.17 -2.24 -0.07 0.00 -1.68 0.00 0.00 37.83 34.00 3kkt s LYS 398 CO 0.65 -1.05 1.13 -1.13 -0.76 0.00 0.00 175.35 174.18 3kkt n SER 399 N -2.76 1.70 -0.21 2.83 3.41 -1.26 -4.64 113.62 112.68 3kkt n SER 399 Ca 0.07 0.96 0.29 0.00 -0.26 0.00 0.00 58.87 59.93 3kkt n SER 399 Cb 0.60 -1.45 0.70 0.00 -0.26 0.00 0.00 64.21 63.80 3kkt n SER 399 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kkt h LEU 400 N 1.28 0.05 -0.10 1.04 5.85 -1.95 -0.94 115.31 120.54 3kkt h LEU 400 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3kkt h LEU 400 Cb 1.33 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 3kkt h LEU 400 CO 0.55 0.02 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.55 3kkt h GLU 401 N 0.05 0.21 -0.21 1.25 4.81 -2.00 -1.41 114.58 117.27 3kkt h GLU 401 Ca 0.46 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3kkt h GLU 401 Cb 1.76 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 3kkt h GLU 401 CO -0.03 0.54 0.04 -0.07 -0.73 0.00 0.00 179.01 178.77 3kkt h LEU 402 N -0.14 0.32 -0.57 1.64 3.38 -1.72 -3.20 115.31 115.03 3kkt h LEU 402 Ca 0.02 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3kkt h LEU 402 Cb 0.48 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3kkt h LEU 402 CO 0.01 0.48 0.33 0.22 0.09 0.00 0.00 178.44 179.57 3kkt h TYR 403 N 0.15 0.61 -0.05 1.13 3.20 -1.18 -1.94 116.97 118.89 3kkt h TYR 403 Ca 0.06 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3kkt h TYR 403 Cb 0.29 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3kkt h TYR 403 CO 0.01 0.33 -0.26 0.00 -1.64 0.00 0.00 178.16 176.61 3kkt h ARG 404 N 0.64 0.09 -0.42 1.82 3.08 -1.33 -0.43 114.38 117.84 3kkt h ARG 404 Ca 0.24 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 3kkt h ARG 404 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kkt h ARG 404 CO -0.12 0.35 -0.29 1.96 -1.07 0.00 0.00 179.97 180.80 3kkt h GLN 405 N 0.09 0.91 -0.69 0.04 4.20 -1.40 -0.75 115.11 117.51 3kkt h GLN 405 Ca 0.01 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 3kkt h GLN 405 Cb 0.51 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3kkt h GLN 405 CO 0.04 1.07 0.26 -1.49 -0.67 0.00 0.00 178.83 178.04 3kkt h TRP 406 N 0.77 1.04 -0.33 2.96 -0.00 -0.83 -2.47 115.95 117.09 3kkt h TRP 406 Ca 0.09 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 3kkt h TRP 406 Cb 0.86 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 3kkt h TRP 406 CO 0.05 0.80 0.01 1.15 -0.00 0.00 0.00 178.44 180.46 3kkt h THR 407 N 1.00 1.25 -0.86 1.49 2.02 -0.78 -1.94 112.91 115.10 3kkt h THR 407 Ca 0.23 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3kkt h THR 407 Cb 0.22 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3kkt h THR 407 CO -0.02 0.31 0.46 0.44 0.37 0.00 0.00 175.52 177.08 3kkt h ASP 408 N 0.38 1.07 0.30 4.18 5.19 -1.12 -2.32 116.42 124.11 3kkt h ASP 408 Ca 0.09 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3kkt h ASP 408 Cb 0.43 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3kkt h ASP 408 CO 0.01 0.87 -0.14 0.03 -3.12 0.00 0.00 179.24 176.89 3kkt h ARG 409 N 1.20 -0.39 0.00 3.56 3.08 -1.20 -1.91 114.38 118.73 3kkt h ARG 409 Ca 0.30 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3kkt h ARG 409 Cb 0.04 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kkt h ARG 409 CO -0.05 -0.15 0.00 0.97 -1.07 0.00 0.00 179.97 179.67 3kkt h ILE 410 N -0.56 0.00 0.06 2.04 6.09 -1.35 -2.20 117.51 121.60 3kkt h ILE 410 Ca -0.04 -0.32 -0.16 0.00 -1.37 0.00 0.00 64.86 62.96 3kkt h ILE 410 Cb 0.41 1.21 0.02 0.00 0.47 0.00 0.00 36.82 38.93 3kkt h ILE 410 CO 0.07 0.00 -0.68 -0.03 -3.07 0.00 0.00 178.15 174.44 3kkt h MET 411 N 0.00 0.35 -0.32 2.19 4.05 -1.24 -1.41 114.93 118.54 3kkt h MET 411 Ca 0.00 -0.46 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 3kkt h MET 411 Cb 0.36 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3kkt h MET 411 CO 0.00 1.16 0.19 1.49 0.23 0.00 0.00 176.91 179.97 3kkt h GLU 412 N -0.24 0.37 -0.16 0.39 4.81 -0.88 -0.06 114.58 118.82 3kkt h GLU 412 Ca -0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3kkt h GLU 412 Cb 1.45 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 3kkt h GLU 412 CO 0.13 0.25 0.10 1.49 -0.73 0.00 0.00 179.01 180.24 3kkt h GLU 413 N 0.38 0.21 -0.66 1.92 4.81 -1.50 -0.55 114.58 119.20 3kkt h GLU 413 Ca 0.12 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kkt h GLU 413 Cb -0.00 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3kkt h GLU 413 CO -0.06 0.18 0.43 0.35 -0.73 0.00 0.00 179.01 179.18 3kkt h PHE 414 N 0.18 0.81 -0.22 0.92 3.57 -1.01 -1.81 116.94 119.38 3kkt h PHE 414 Ca 0.06 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 3kkt h PHE 414 Cb 0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3kkt h PHE 414 CO -0.05 0.49 -0.36 0.74 -2.23 0.00 0.00 178.31 176.90 3kkt h PHE 415 N 0.86 0.56 -0.37 0.41 0.04 -0.91 -2.86 116.94 114.66 3kkt h PHE 415 Ca 0.25 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3kkt h PHE 415 Cb -0.07 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3kkt h PHE 415 CO -0.03 0.78 0.15 1.96 -0.60 0.00 0.00 178.31 180.57 3kkt h GLN 416 N 0.41 0.52 -0.39 1.51 1.08 -0.47 -1.11 115.11 116.67 3kkt h GLN 416 Ca 0.04 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3kkt h GLN 416 Cb 0.81 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3kkt h GLN 416 CO 0.07 0.43 -0.01 0.37 -0.95 0.00 0.00 178.83 178.74 3kkt h GLN 417 N 0.52 0.69 -0.75 1.46 4.15 -1.15 -1.51 115.11 118.52 3kkt h GLN 417 Ca 0.13 -0.22 0.13 0.00 0.77 0.00 0.00 58.65 59.45 3kkt h GLN 417 Cb 0.10 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.64 3kkt h GLN 417 CO -0.01 0.79 0.34 0.78 -1.93 0.00 0.00 178.83 178.79 3kkt h GLY 418 N 0.51 1.15 0.86 2.39 0.00 -1.22 -0.14 103.07 106.63 3kkt h GLY 418 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3kkt h GLY 418 CO 0.02 -0.03 0.07 -0.55 0.00 0.00 0.00 176.54 176.05 3kkt h ASP 419 N 0.53 0.09 -0.41 0.19 5.19 -1.01 -1.97 116.42 119.03 3kkt h ASP 419 Ca 0.40 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.89 3kkt h ASP 419 Cb 0.54 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.00 3kkt h ASP 419 CO -0.35 0.08 0.07 0.11 -3.12 0.00 0.00 179.24 176.03 3kkt h LYS 420 N 0.17 0.18 -0.66 3.56 1.57 -0.19 0.43 116.57 121.63 3kkt h LYS 420 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3kkt h LYS 420 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3kkt h LYS 420 CO -0.08 0.12 0.38 0.93 -0.57 0.00 0.00 179.45 180.23 3kkt h GLU 421 N 0.19 0.91 0.57 3.15 5.08 -0.94 0.96 114.58 124.51 3kkt h GLU 421 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3kkt h GLU 421 Cb 0.25 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kkt h GLU 421 CO -0.27 0.67 -0.34 -0.09 -1.00 0.00 0.00 179.01 177.99 3kkt h ARG 422 N 0.90 -0.83 -1.07 2.33 2.43 -0.95 -0.57 114.38 116.63 3kkt h ARG 422 Ca 0.24 0.06 0.29 0.00 -0.81 0.00 0.00 59.98 59.75 3kkt h ARG 422 Cb 0.01 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 3kkt h ARG 422 CO -0.04 -0.55 0.72 0.93 -1.51 0.00 0.00 179.97 179.52 3kkt h GLU 423 N -0.86 0.24 -0.17 0.20 5.08 0.32 -2.06 114.58 117.33 3kkt h GLU 423 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kkt h GLU 423 Cb 0.69 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3kkt h GLU 423 CO 0.08 0.16 0.00 0.54 -1.00 0.00 0.00 179.01 178.79 3kkt n ARG 424 N -4.47 2.16 -3.20 2.33 1.74 0.29 -4.98 116.66 110.53 3kkt n ARG 424 Ca 0.25 -1.95 -0.22 0.00 -0.77 0.00 0.00 57.85 55.15 3kkt n ARG 424 Cb 0.99 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 31.04 3kkt n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kkt n GLY 425 N 1.27 -0.47 3.76 -0.13 0.00 -0.35 -4.94 105.19 104.33 3kkt n GLY 425 Ca 0.15 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3kkt n GLY 425 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kkt s MET 426 N -5.88 4.42 -1.41 1.61 1.75 -0.45 -4.92 119.30 114.42 3kkt s MET 426 Ca 0.39 2.10 -0.11 0.00 -1.25 0.00 0.00 55.69 56.82 3kkt s MET 426 Cb -0.17 -3.13 0.07 0.00 2.84 0.00 0.00 34.83 34.44 3kkt s MET 426 CO 0.49 -0.14 2.26 0.39 -0.65 0.00 0.00 175.02 177.36 3kkt n GLU 427 N 1.45 3.45 -3.87 4.11 1.02 -1.26 -4.83 120.64 120.71 3kkt n GLU 427 Ca 0.02 -2.94 -0.11 0.00 -0.02 0.00 0.00 57.16 54.11 3kkt n GLU 427 Cb 0.43 -3.01 -0.12 0.00 -0.02 0.00 0.00 31.44 28.72 3kkt n GLU 427 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kkt s ILE 428 N 1.59 0.05 0.22 -3.67 1.01 -1.26 -5.14 121.20 114.01 3kkt s ILE 428 Ca 0.49 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.45 3kkt s ILE 428 Cb 0.14 -0.28 -0.14 0.00 0.01 0.00 0.00 42.46 42.19 3kkt s ILE 428 CO -0.06 -0.21 1.33 -0.24 0.00 0.00 0.00 174.94 175.76 3kkt n SER 429 N 2.25 2.32 -3.18 3.58 2.88 -1.26 -4.98 113.62 115.23 3kkt n SER 429 Ca -0.18 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.31 3kkt n SER 429 Cb 0.57 -1.37 0.16 0.00 -0.75 0.00 0.00 64.21 62.83 3kkt n SER 429 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kkt n PRO 430 N 1.89 -2.29 -4.81 -1.46 -0.04 -1.26 -4.82 135.00 122.21 3kkt n PRO 430 Ca 0.12 -1.14 -0.33 0.00 -0.04 0.00 0.00 63.50 62.12 3kkt n PRO 430 Cb 0.30 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 3kkt n PRO 430 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3kkt s MET 431 N -4.61 3.15 0.83 0.54 -1.94 -1.26 -1.65 119.30 114.36 3kkt s MET 431 Ca 0.46 -0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 53.64 3kkt s MET 431 Cb -0.04 -2.56 0.09 0.00 2.01 0.00 0.00 34.83 34.33 3kkt s MET 431 CO 0.35 0.32 1.13 0.00 -0.01 0.00 0.00 175.02 176.81 3kkt n ASP 433 N -3.74 0.17 0.00 0.00 5.68 -1.26 -4.91 116.55 112.49 3kkt n ASP 433 Ca 0.11 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 3kkt n ASP 433 Cb 0.52 0.50 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 3kkt n ASP 433 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kkt n LYS 434 N -0.50 0.00 0.00 0.11 5.02 -1.26 -5.21 118.16 116.32 3kkt n LYS 434 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3kkt n LYS 434 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3kkt n LYS 434 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kkt n VAL 439 N -2.01 0.00 0.22 -0.18 0.31 -1.26 -5.23 118.33 110.18 3kkt n VAL 439 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3kkt n VAL 439 Cb 0.00 0.00 0.46 0.00 -0.91 0.00 0.00 33.84 33.39 3kkt n VAL 439 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kkt h GLU 440 N 0.00 0.00 -0.68 5.55 9.09 -1.95 -1.88 114.58 124.72 3kkt h GLU 440 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3kkt h GLU 440 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3kkt h GLU 440 CO 0.00 0.24 0.32 0.87 0.05 0.00 0.00 179.01 180.49 3kkt h LYS 441 N 0.00 0.98 0.00 1.06 1.57 -1.94 -2.96 116.57 115.27 3kkt h LYS 441 Ca -0.00 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3kkt h LYS 441 Cb 0.74 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3kkt h LYS 441 CO 0.03 0.78 -0.18 0.77 -0.57 0.00 0.00 179.45 180.28 3kkt h SER 442 N 0.94 0.00 0.28 0.86 0.02 -1.78 0.63 113.55 114.50 3kkt h SER 442 Ca 0.23 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.96 3kkt h SER 442 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3kkt h SER 442 CO -0.03 0.18 -0.90 1.56 -1.14 0.00 0.00 176.83 176.50 3kkt h GLN 443 N 0.00 0.44 -0.11 3.45 1.08 -1.44 -1.85 115.11 116.68 3kkt h GLN 443 Ca -0.00 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 3kkt h GLN 443 Cb 0.86 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3kkt h GLN 443 CO 0.02 1.10 -0.04 0.28 -0.95 0.00 0.00 178.83 179.24 3kkt h VAL 444 N 0.26 1.30 -0.97 -0.54 2.07 -1.25 -0.09 116.25 117.03 3kkt h VAL 444 Ca -0.07 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.54 3kkt h VAL 444 Cb 1.52 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 3kkt h VAL 444 CO 0.16 0.29 0.62 1.23 0.02 0.00 0.00 177.57 179.89 3kkt h GLY 445 N -0.11 1.51 0.84 2.17 0.00 -0.98 0.12 103.07 106.62 3kkt h GLY 445 Ca 0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kkt h GLY 445 CO 0.01 0.21 0.03 -2.75 0.00 0.00 0.00 176.54 174.04 3kkt h PHE 446 N 1.00 0.12 -0.24 5.60 3.57 -1.01 -1.39 116.94 124.60 3kkt h PHE 446 Ca 0.46 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 3kkt h PHE 446 Cb 0.40 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kkt h PHE 446 CO -0.00 0.25 -0.02 0.82 -2.23 0.00 0.00 178.31 177.13 3kkt h ILE 447 N -0.05 1.26 -0.65 1.41 2.04 -0.75 -0.50 117.51 120.27 3kkt h ILE 447 Ca 0.02 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kkt h ILE 447 Cb 0.19 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3kkt h ILE 447 CO -0.00 0.29 0.35 0.44 0.00 0.00 0.00 178.15 179.23 3kkt h ASP 448 N 0.19 0.80 0.00 1.72 3.32 -0.73 0.18 116.42 121.90 3kkt h ASP 448 Ca 0.06 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 3kkt h ASP 448 Cb 0.44 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3kkt h ASP 448 CO 0.02 0.65 -1.99 -1.22 -1.72 0.00 0.00 179.24 174.98 3kkt n TYR 449 N -4.37 0.00 0.01 4.55 4.02 -0.53 -4.54 117.16 116.30 3kkt n TYR 449 Ca 0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3kkt n TYR 449 Cb 0.10 -0.66 -0.00 0.00 -0.02 0.00 0.00 39.34 38.76 3kkt n TYR 449 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3kkt n ILE 450 N -2.44 0.24 0.11 -0.72 5.41 -0.27 -4.80 119.36 116.89 3kkt n ILE 450 Ca -0.19 0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 3kkt n ILE 450 Cb 0.85 -1.18 -0.08 0.00 -0.71 0.00 0.00 39.64 38.52 3kkt n ILE 450 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kkt h VAL 451 N -0.02 0.89 0.04 1.39 2.07 -1.31 -2.92 116.25 116.40 3kkt h VAL 451 Ca 0.00 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kkt h VAL 451 Cb 0.02 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kkt h VAL 451 CO 0.00 0.13 -0.02 -0.74 0.02 0.00 0.00 177.57 176.96 3kkt h HIS 452 N -0.56 -0.05 -0.99 1.57 -0.00 -0.89 0.39 115.15 114.61 3kkt h HIS 452 Ca -0.03 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.53 3kkt h HIS 452 Cb 0.41 0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 27.74 3kkt h HIS 452 CO 0.02 0.02 0.61 -1.35 -0.00 0.00 0.00 177.93 177.24 3kkt h PRO 453 N -0.12 0.73 0.20 5.26 0.11 -1.71 0.12 132.00 136.60 3kkt h PRO 453 Ca -0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3kkt h PRO 453 Cb 0.10 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3kkt h PRO 453 CO 0.01 0.48 -0.10 1.25 -0.21 0.00 0.00 178.00 179.43 3kkt h LEU 454 N 0.75 -0.23 -1.31 2.35 5.85 -1.23 -3.08 115.31 118.42 3kkt h LEU 454 Ca 0.56 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3kkt h LEU 454 Cb 0.89 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3kkt h LEU 454 CO -0.34 0.18 -0.29 -0.50 -0.34 0.00 0.00 178.44 177.15 3kkt h TRP 455 N -0.69 0.00 -0.65 1.25 4.06 -0.60 -1.54 115.95 117.78 3kkt h TRP 455 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3kkt h TRP 455 Cb 0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 3kkt h TRP 455 CO 0.05 0.29 0.35 1.49 -3.56 0.00 0.00 178.44 177.05 3kkt h GLU 456 N 0.00 0.91 -0.27 0.49 4.81 -0.82 -1.39 114.58 118.30 3kkt h GLU 456 Ca -0.00 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 3kkt h GLU 456 Cb 0.66 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3kkt h GLU 456 CO 0.04 0.69 -0.58 1.15 -0.73 0.00 0.00 179.01 179.58 3kkt h THR 457 N 0.89 1.27 -0.67 0.32 2.02 -1.28 -2.54 112.91 112.92 3kkt h THR 457 Ca 0.23 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 3kkt h THR 457 Cb 0.05 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3kkt h THR 457 CO -0.04 0.57 0.35 -0.25 0.37 0.00 0.00 175.52 176.53 3kkt h TRP 458 N 0.66 0.94 -0.32 3.16 2.91 -1.23 -1.59 115.95 120.48 3kkt h TRP 458 Ca 0.01 -0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.05 3kkt h TRP 458 Cb 1.19 -0.30 -0.05 0.00 -0.51 0.00 0.00 29.16 29.50 3kkt h TRP 458 CO 0.07 0.68 0.03 0.00 -1.03 0.00 0.00 178.44 178.20 3kkt h ALA 459 N 1.17 0.31 -0.68 2.65 0.00 -1.21 -1.09 119.26 120.41 3kkt h ALA 459 Ca 0.23 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.33 3kkt h ALA 459 Cb 0.07 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3kkt h ALA 459 CO -0.03 -0.38 0.27 -0.44 0.00 0.00 0.00 179.25 178.67 3kkt h ASP 460 N 0.13 0.28 -0.68 0.00 5.19 -1.16 0.20 116.42 120.38 3kkt h ASP 460 Ca 0.15 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 3kkt h ASP 460 Cb 0.19 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 3kkt h ASP 460 CO -0.23 0.14 0.32 0.25 -3.12 0.00 0.00 179.24 176.60 3kkt h LEU 461 N 0.45 0.92 -3.29 1.55 5.85 -0.36 -3.15 115.31 117.28 3kkt h LEU 461 Ca 0.35 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3kkt h LEU 461 Cb 0.47 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3kkt h LEU 461 CO -0.34 0.79 -0.04 1.33 -0.34 0.00 0.00 178.44 179.85 3kkt n VAL 462 N -4.32 2.39 -1.65 1.05 0.24 -0.50 -5.00 118.33 110.54 3kkt n VAL 462 Ca 0.07 -2.34 -0.52 0.00 -2.04 0.00 0.00 64.34 59.51 3kkt n VAL 462 Cb 0.15 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 3kkt n VAL 462 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3kkt n GLN 463 N -0.89 1.51 -0.62 7.34 7.27 0.02 0.17 117.38 132.18 3kkt n GLN 463 Ca 0.27 0.55 0.08 0.00 0.07 0.00 0.00 57.00 57.97 3kkt n GLN 463 Cb 0.95 -2.26 0.33 0.00 2.41 0.00 0.00 30.24 31.67 3kkt n GLN 463 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3kkt n PRO 464 N 3.98 3.81 0.32 3.69 -0.04 -1.26 -5.00 135.00 140.50 3kkt n PRO 464 Ca 0.21 -2.88 0.21 0.00 -0.04 0.00 0.00 63.50 60.99 3kkt n PRO 464 Cb 0.21 -1.93 1.10 0.00 -0.04 0.00 0.00 33.50 32.84 3kkt n PRO 464 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kkt h ASP 465 N 3.34 0.00 -0.32 3.54 3.32 -0.58 -2.22 116.42 123.50 3kkt h ASP 465 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kkt h ASP 465 Cb 1.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.09 3kkt h ASP 465 CO 0.28 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 3kkt n ALA 466 N -2.10 2.81 -0.21 3.45 0.00 -1.26 -4.72 120.51 118.48 3kkt n ALA 466 Ca -0.02 -1.92 -0.07 0.00 0.00 0.00 0.00 53.44 51.43 3kkt n ALA 466 Cb 0.12 -0.67 0.07 0.00 0.00 0.00 0.00 19.45 18.97 3kkt n ALA 466 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kkt h GLN 467 N 2.11 1.05 -0.65 0.00 5.75 -1.77 -0.74 115.11 120.86 3kkt h GLN 467 Ca 0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 3kkt h GLN 467 Cb 1.27 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 3kkt h GLN 467 CO 0.17 0.97 0.37 -0.44 -2.65 0.00 0.00 178.83 177.25 3kkt h ASP 468 N 0.99 0.80 0.05 -0.69 3.45 -1.84 0.51 116.42 119.69 3kkt h ASP 468 Ca 0.20 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3kkt h ASP 468 Cb 0.43 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3kkt h ASP 468 CO 0.01 0.66 -0.04 0.40 -1.57 0.00 0.00 179.24 178.70 3kkt h ILE 469 N 0.89 0.91 -0.55 0.35 2.04 -1.79 -0.19 117.51 119.17 3kkt h ILE 469 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3kkt h ILE 469 Cb 0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3kkt h ILE 469 CO -0.04 0.00 0.29 0.25 0.00 0.00 0.00 178.15 178.65 3kkt h LEU 470 N -0.09 0.70 -0.72 1.44 5.85 -0.83 -1.53 115.31 120.13 3kkt h LEU 470 Ca 0.00 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3kkt h LEU 470 Cb 0.09 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3kkt h LEU 470 CO -0.01 0.60 0.40 0.44 -0.34 0.00 0.00 178.44 179.53 3kkt h ASP 471 N 0.74 0.58 -0.42 1.25 3.32 0.21 -2.16 116.42 119.95 3kkt h ASP 471 Ca 0.19 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3kkt h ASP 471 Cb 0.07 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3kkt h ASP 471 CO -0.03 0.36 -0.10 0.74 -1.72 0.00 0.00 179.24 178.50 3kkt h THR 472 N 0.72 1.26 -0.39 0.35 2.02 -0.63 -1.87 112.91 114.37 3kkt h THR 472 Ca 0.33 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3kkt h THR 472 Cb 0.24 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3kkt h THR 472 CO -0.21 0.41 0.23 0.25 0.37 0.00 0.00 175.52 176.58 3kkt h LEU 473 N 0.78 0.47 -0.82 2.58 5.85 -0.87 -0.90 115.31 122.41 3kkt h LEU 473 Ca 0.13 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3kkt h LEU 473 Cb 0.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3kkt h LEU 473 CO 0.04 0.39 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.96 3kkt h GLU 474 N 0.51 0.62 -0.46 1.25 5.08 -1.27 -0.17 114.58 120.15 3kkt h GLU 474 Ca 0.14 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3kkt h GLU 474 Cb 0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3kkt h GLU 474 CO -0.03 0.81 0.26 -0.44 -1.00 0.00 0.00 179.01 178.62 3kkt h ASP 475 N 0.55 0.42 -0.42 1.42 3.32 -1.09 -1.58 116.42 119.03 3kkt h ASP 475 Ca 0.08 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3kkt h ASP 475 Cb 0.70 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3kkt h ASP 475 CO 0.05 0.30 0.03 0.78 -1.72 0.00 0.00 179.24 178.68 3kkt h ASN 476 N 0.53 0.76 -0.54 6.45 2.35 -0.64 -1.90 115.58 122.60 3kkt h ASN 476 Ca 0.19 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3kkt h ASN 476 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3kkt h ASN 476 CO -0.10 0.81 0.13 -0.09 -1.65 0.00 0.00 177.43 176.54 3kkt h ARG 477 N 0.75 0.86 -0.47 0.81 1.12 -0.83 -2.70 114.38 113.92 3kkt h ARG 477 Ca 0.15 -0.20 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 3kkt h ARG 477 Cb 0.41 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 3kkt h ARG 477 CO 0.01 0.81 0.17 -0.91 -3.11 0.00 0.00 179.97 176.94 3kkt h ASN 478 N 0.75 0.67 -0.25 -3.80 2.35 -1.06 -2.10 115.58 112.15 3kkt h ASN 478 Ca 0.17 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3kkt h ASN 478 Cb 0.33 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 3kkt h ASN 478 CO 0.00 0.68 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.16 3kkt h TRP 479 N 0.63 -0.10 -0.17 1.19 7.01 -1.28 -2.25 115.95 120.98 3kkt h TRP 479 Ca 0.16 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.09 3kkt h TRP 479 Cb 0.23 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3kkt h TRP 479 CO 0.01 -0.09 -0.29 1.88 -2.79 0.00 0.00 178.44 177.16 3kkt h TYR 480 N 0.02 0.36 -0.56 2.65 0.05 -1.42 -2.80 116.97 115.27 3kkt h TYR 480 Ca 0.12 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3kkt h TYR 480 Cb 0.18 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3kkt h TYR 480 CO -0.24 0.59 0.35 0.37 -1.05 0.00 0.00 178.16 178.18 3kkt h GLN 481 N 0.28 0.75 -0.85 4.88 5.75 -0.99 -2.61 115.11 122.33 3kkt h GLN 481 Ca 0.04 -0.06 0.14 0.00 -0.15 0.00 0.00 58.65 58.62 3kkt h GLN 481 Cb 0.66 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 28.96 3kkt h GLN 481 CO 0.05 0.53 0.45 0.77 -2.65 0.00 0.00 178.83 177.97 3kkt h SER 482 N 0.76 0.55 0.00 -0.69 0.02 -1.14 -3.51 113.55 109.54 3kkt h SER 482 Ca 0.20 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3kkt h SER 482 Cb -0.04 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kkt h SER 482 CO -0.04 0.24 0.00 0.23 -1.14 0.00 0.00 176.83 176.12 3kkt n MET 483 N -4.85 0.00 0.00 3.45 2.81 -0.98 -5.14 117.12 112.40 3kkt n MET 483 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3kkt n MET 483 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 3kkt n MET 483 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kkt s GLN 500 N -5.00 0.04 0.87 0.00 0.74 -0.66 -4.84 119.66 110.81 3kkt s GLN 500 Ca 0.00 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.48 3kkt s GLN 500 Cb 0.00 -0.10 0.11 0.00 1.10 0.00 0.00 33.01 34.13 3kkt s GLN 500 CO 0.00 -0.09 1.11 0.20 -0.55 0.00 0.00 175.29 175.96 3kkt s GLY 501 N 0.58 1.66 0.11 2.59 0.00 -1.26 -2.12 107.32 108.88 3kkt s GLY 501 Ca -0.05 0.30 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 3kkt s GLY 501 CO -0.02 0.72 1.67 1.41 0.00 0.00 0.00 173.10 176.88 3kkt h LEU 502 N -1.55 -0.48 -0.39 0.66 4.07 -1.98 0.15 115.31 115.80 3kkt h LEU 502 Ca -0.45 0.06 -0.17 0.00 0.08 0.00 0.00 57.88 57.39 3kkt h LEU 502 Cb 1.26 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 43.18 3kkt h LEU 502 CO 0.48 -0.25 -0.53 -0.03 -1.08 0.00 0.00 178.44 177.04 3kkt h MET 503 N -0.33 0.77 -0.78 1.13 4.05 -1.93 -2.39 114.93 115.46 3kkt h MET 503 Ca 0.03 -0.48 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3kkt h MET 503 Cb 0.35 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 3kkt h MET 503 CO -0.10 1.10 0.47 1.49 0.23 0.00 0.00 176.91 180.10 3kkt h GLU 504 N 0.60 1.05 -0.38 0.39 4.81 -1.90 0.15 114.58 119.30 3kkt h GLU 504 Ca 0.02 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3kkt h GLU 504 Cb 1.11 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3kkt h GLU 504 CO 0.11 0.74 0.19 -0.22 -0.73 0.00 0.00 179.01 179.10 3kkt h LYS 505 N 1.06 0.55 -0.55 1.92 1.63 -0.68 -2.29 116.57 118.21 3kkt h LYS 505 Ca 0.28 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.95 3kkt h LYS 505 Cb -0.04 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 3kkt h LYS 505 CO -0.05 0.48 0.14 0.35 -3.45 0.00 0.00 179.45 176.92 3kkt h PHE 506 N 0.48 0.91 -0.06 1.91 3.57 -0.85 -2.59 116.94 120.31 3kkt h PHE 506 Ca 0.13 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 3kkt h PHE 506 Cb 0.11 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3kkt h PHE 506 CO -0.02 0.78 -0.42 0.37 -2.23 0.00 0.00 178.31 176.80 3kkt h GLN 507 N 0.77 0.13 -0.13 1.11 4.15 -0.72 -2.99 115.11 117.44 3kkt h GLN 507 Ca 0.17 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 3kkt h GLN 507 Cb 0.32 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3kkt h GLN 507 CO -0.00 0.53 -0.47 0.35 -1.93 0.00 0.00 178.83 177.31 3kkt h PHE 508 N 0.11 0.38 0.00 3.99 3.57 -1.10 -2.85 116.94 121.04 3kkt h PHE 508 Ca 0.01 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3kkt h PHE 508 Cb 0.79 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3kkt h PHE 508 CO 0.01 0.73 0.00 0.39 -2.23 0.00 0.00 178.31 177.20 3kkt n GLU 509 N -3.98 0.73 0.00 1.11 1.02 -1.00 -5.11 120.64 113.41 3kkt n GLU 509 Ca -0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.17 3kkt n GLU 509 Cb 0.53 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.58 3kkt n GLU 509 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59