#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwk n SER 260 N 0.00 -6.06 -4.09 1.61 7.64 -1.26 -4.48 113.62 106.97 2kwk n SER 260 Ca 0.00 0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.98 2kwk n SER 260 Cb 0.00 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.55 2kwk n SER 260 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2kwk s TYR 261 N -0.29 0.76 0.46 1.43 -0.85 -1.26 -4.15 117.35 113.44 2kwk s TYR 261 Ca 0.00 -1.08 -0.17 0.00 -0.52 0.00 0.00 57.07 55.30 2kwk s TYR 261 Cb 0.00 -0.29 -0.09 0.00 0.38 0.00 0.00 41.96 41.96 2kwk s TYR 261 CO 0.00 -0.69 0.93 0.00 -1.52 0.00 0.00 175.55 174.27 2kwk n ASP 263 N -1.09 3.30 0.00 0.00 2.03 -0.67 -2.32 116.55 117.79 2kwk n ASP 263 Ca 0.06 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.71 2kwk n ASP 263 Cb 0.54 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2kwk n ASP 263 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2kwk n PHE 264 N -0.16 0.00 -0.02 -0.67 3.01 -1.26 -4.89 117.46 113.47 2kwk n PHE 264 Ca 0.24 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.67 2kwk n PHE 264 Cb 0.97 0.21 -0.12 0.00 -0.01 0.00 0.00 39.48 40.52 2kwk n PHE 264 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kwk n LEU 266 N -2.80 -3.24 -0.06 0.00 -0.00 -0.98 -4.79 117.00 105.12 2kwk n LEU 266 Ca -0.17 -0.78 -0.05 0.00 -0.00 0.00 0.00 56.01 55.01 2kwk n LEU 266 Cb 0.93 -2.74 -0.04 0.00 -0.00 0.00 0.00 43.42 41.57 2kwk n LEU 266 CO 0.44 0.41 -0.01 1.23 -0.00 0.00 0.00 177.39 179.46 2kwk h GLY 267 N -1.90 0.00 0.00 1.47 0.00 -1.80 -3.42 103.07 97.41 2kwk h GLY 267 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2kwk h GLY 267 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.71 2kwk n GLY 268 N 1.70 1.07 0.71 4.60 0.00 -0.72 -4.81 105.19 107.74 2kwk n GLY 268 Ca -0.05 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.28 2kwk n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwk n SER 269 N 0.00 1.72 0.00 1.61 3.41 -1.25 -3.01 113.62 116.10 2kwk n SER 269 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 2kwk n SER 269 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2kwk n SER 269 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kwk n ASN 270 N 0.09 0.00 -3.64 4.04 2.85 -1.19 -3.81 115.26 113.60 2kwk n ASN 270 Ca 0.04 -1.00 -0.07 0.00 -0.11 0.00 0.00 54.58 53.44 2kwk n ASN 270 Cb 0.39 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.34 2kwk n ASN 270 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2kwk s MET 271 N 0.00 0.55 -0.21 1.20 1.75 -1.16 -4.07 119.30 117.36 2kwk s MET 271 Ca 0.00 0.80 -0.07 0.00 -1.25 0.00 0.00 55.69 55.17 2kwk s MET 271 Cb 0.00 0.19 -0.03 0.00 2.84 0.00 0.00 34.83 37.83 2kwk s MET 271 CO 0.00 -0.09 0.05 1.21 -0.65 0.00 0.00 175.02 175.54 2kwk s ASN 272 N 0.89 5.25 -0.02 1.11 3.84 0.43 -1.75 114.94 124.68 2kwk s ASN 272 Ca -0.04 -0.09 0.08 0.00 0.21 0.00 0.00 52.86 53.02 2kwk s ASN 272 Cb -0.05 -1.91 0.25 0.00 -0.55 0.00 0.00 41.25 39.00 2kwk s ASN 272 CO -0.11 0.08 1.14 0.29 -2.79 0.00 0.00 177.10 175.72 2kwk n LYS 273 N 4.14 1.81 0.00 0.43 5.02 -1.26 0.91 118.16 129.21 2kwk n LYS 273 Ca -0.17 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 2kwk n LYS 273 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2kwk n LYS 273 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kwk n LYS 274 N 0.28 0.38 -0.04 1.97 5.02 -1.26 -4.81 118.16 119.69 2kwk n LYS 274 Ca 0.09 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2kwk n LYS 274 Cb 0.32 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 2kwk n LYS 274 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2kwk n SER 275 N -1.42 1.60 0.00 4.39 7.64 -1.21 -5.02 113.62 119.60 2kwk n SER 275 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2kwk n SER 275 Cb 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2kwk n SER 275 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kwk n GLY 276 N 2.70 0.96 3.65 0.23 0.00 0.26 -5.02 105.19 107.97 2kwk n GLY 276 Ca -0.16 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2kwk n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kwk s ARG 277 N -0.61 2.54 -0.06 1.61 3.00 -1.23 -4.72 118.95 119.48 2kwk s ARG 277 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 55.73 54.66 2kwk s ARG 277 Cb 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 34.95 32.40 2kwk s ARG 277 CO 0.00 0.57 0.93 -1.25 0.00 0.00 0.00 175.30 175.55 2kwk s PRO 278 N -1.93 4.47 -0.09 3.54 0.04 -1.26 0.16 135.00 139.94 2kwk s PRO 278 Ca 0.22 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 2kwk s PRO 278 Cb -0.11 -3.49 0.04 0.00 0.04 0.00 0.00 34.50 30.97 2kwk s PRO 278 CO 0.13 -0.14 0.45 -2.00 0.04 0.00 0.00 177.00 175.48 2kwk s GLU 279 N 1.39 0.69 0.31 4.56 2.12 -1.26 -4.82 118.70 121.69 2kwk s GLU 279 Ca 0.47 0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.77 2kwk s GLU 279 Cb -0.19 0.32 -0.09 0.00 0.26 0.00 0.00 34.13 34.43 2kwk s GLU 279 CO 0.22 -0.16 1.10 -2.00 -0.54 0.00 0.00 175.26 173.88 2kwk s GLU 280 N -0.63 4.53 0.05 4.30 2.56 -1.25 -3.15 118.70 125.11 2kwk s GLU 280 Ca -0.07 1.76 -0.20 0.00 0.00 0.00 0.00 54.97 56.46 2kwk s GLU 280 Cb -0.03 -3.05 -0.06 0.00 2.00 0.00 0.00 34.13 32.98 2kwk s GLU 280 CO 0.04 0.12 0.59 -0.51 -0.56 0.00 0.00 175.26 174.94 2kwk s LEU 281 N -1.71 4.49 -0.18 2.70 1.43 -1.26 -4.44 118.68 119.72 2kwk s LEU 281 Ca 0.47 1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2kwk s LEU 281 Cb -0.30 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 2kwk s LEU 281 CO 0.39 0.21 0.07 0.54 0.23 0.00 0.00 176.35 177.79 2kwk s VAL 282 N -0.78 4.88 0.32 -1.59 0.11 0.12 -4.71 120.40 118.74 2kwk s VAL 282 Ca 0.30 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 2kwk s VAL 282 Cb -0.19 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.44 2kwk s VAL 282 CO 0.19 0.47 0.47 -0.44 -3.33 0.00 0.00 175.10 172.46 2kwk s SER 283 N 0.25 6.17 0.54 3.54 0.01 -1.25 0.25 113.70 123.21 2kwk s SER 283 Ca 0.05 0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 2kwk s SER 283 Cb -0.12 -1.72 0.05 0.00 0.21 0.00 0.00 66.02 64.44 2kwk s SER 283 CO 0.00 -0.29 0.34 0.00 0.41 0.00 0.00 173.24 173.70 2kwk n ALA 285 N -3.00 1.24 -0.03 0.00 0.00 -1.26 -3.54 120.51 113.91 2kwk n ALA 285 Ca -0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 53.44 52.26 2kwk n ALA 285 Cb 0.19 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 2kwk n ALA 285 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwk n ASP 286 N -3.86 0.84 -0.01 0.00 9.92 -1.26 -4.38 116.55 117.80 2kwk n ASP 286 Ca -0.49 0.35 0.04 0.00 -0.53 0.00 0.00 54.79 54.17 2kwk n ASP 286 Cb 0.92 0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.35 2kwk n ASP 286 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kwk n GLY 288 N 1.97 1.04 3.69 0.00 0.00 -1.23 -4.90 105.19 105.75 2kwk n GLY 288 Ca -0.03 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 2kwk n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwk n ARG 289 N -2.63 2.42 -2.67 1.61 1.74 -1.26 -3.81 116.66 112.05 2kwk n ARG 289 Ca -0.09 0.88 -0.26 0.00 -0.77 0.00 0.00 57.85 57.61 2kwk n ARG 289 Cb 0.30 -2.70 0.01 0.00 -1.02 0.00 0.00 32.46 29.05 2kwk n ARG 289 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kwk s SER 290 N 1.68 5.97 -0.12 0.55 0.01 -1.25 -0.34 113.70 120.20 2kwk s SER 290 Ca 0.80 0.72 -0.30 0.00 1.31 0.00 0.00 55.95 58.48 2kwk s SER 290 Cb -0.60 -1.94 0.10 0.00 0.21 0.00 0.00 66.02 63.79 2kwk s SER 290 CO 0.38 -0.74 0.84 -0.83 0.41 0.00 0.00 173.24 173.31 2kwk s GLY 291 N -4.18 -0.41 -0.26 3.44 0.00 0.14 -1.67 107.32 104.36 2kwk s GLY 291 Ca 0.49 1.73 -0.25 0.00 0.00 0.00 0.00 44.72 46.69 2kwk s GLY 291 CO 0.43 1.05 0.86 0.30 0.00 0.00 0.00 173.10 175.74 2kwk s HIS 292 N -1.04 3.28 0.60 1.90 3.76 -1.26 0.11 115.29 122.63 2kwk s HIS 292 Ca -0.06 1.09 0.29 0.00 -0.15 0.00 0.00 55.06 56.24 2kwk s HIS 292 Cb -0.01 -3.16 1.30 0.00 1.11 0.00 0.00 32.58 31.83 2kwk s HIS 292 CO 0.05 -0.47 1.68 -1.35 -0.85 0.00 0.00 174.74 173.80 2kwk h PRO 293 N 7.79 0.00 0.15 8.40 0.11 -1.95 1.18 132.00 147.67 2kwk h PRO 293 Ca -0.23 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.57 2kwk h PRO 293 Cb 1.09 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kwk h PRO 293 CO 0.90 0.00 -1.30 1.15 -0.21 0.00 0.00 178.00 178.54 2kwk h THR 294 N 0.00 1.28 0.00 -1.15 2.02 -1.90 1.27 112.91 114.43 2kwk h THR 294 Ca 0.34 -2.51 -0.12 0.00 0.77 0.00 0.00 66.41 64.88 2kwk h THR 294 Cb 1.88 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 71.04 2kwk h THR 294 CO -0.00 0.76 -0.60 0.00 0.37 0.00 0.00 175.52 176.05 2kwk n LEU 296 N -3.68 0.31 0.00 0.00 4.77 0.35 -4.92 117.00 113.83 2kwk n LEU 296 Ca -0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2kwk n LEU 296 Cb 0.63 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2kwk n LEU 296 CO 0.41 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2kwk n GLN 297 N -1.73 0.00 -0.83 3.23 1.13 -0.62 -5.01 117.38 113.54 2kwk n GLN 297 Ca 0.06 0.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.92 2kwk n GLN 297 Cb 0.37 -3.05 0.18 0.00 0.11 0.00 0.00 30.24 27.85 2kwk n GLN 297 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2kwk s PHE 298 N -2.00 1.79 0.25 1.08 0.40 0.43 -4.98 117.98 114.95 2kwk s PHE 298 Ca 0.00 1.45 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 2kwk s PHE 298 Cb 0.00 -3.20 0.02 0.00 0.51 0.00 0.00 43.02 40.35 2kwk s PHE 298 CO 0.00 -2.95 0.16 0.25 0.70 0.00 0.00 175.22 173.37 2kwk n THR 299 N -4.30 0.00 0.07 0.64 -2.24 -1.26 -4.66 114.28 102.53 2kwk n THR 299 Ca 0.08 -1.05 0.02 0.00 -2.27 0.00 0.00 64.05 60.83 2kwk n THR 299 Cb 0.54 -0.18 0.36 0.00 -2.10 0.00 0.00 70.33 68.94 2kwk n THR 299 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2kwk h LEU 300 N 0.00 0.34 -0.03 3.22 7.12 -1.95 0.42 115.31 124.42 2kwk h LEU 300 Ca -0.17 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.71 2kwk h LEU 300 Cb 0.60 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2kwk h LEU 300 CO 0.27 0.44 -0.24 -1.13 -0.13 0.00 0.00 178.44 177.66 2kwk h ASN 301 N 0.35 0.26 -0.02 1.25 -1.24 -1.95 -1.13 115.58 113.09 2kwk h ASN 301 Ca 0.07 -0.70 0.01 0.00 0.71 0.00 0.00 56.30 56.39 2kwk h ASN 301 Cb 0.33 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2kwk h ASN 301 CO 0.01 0.92 -0.03 0.24 -1.29 0.00 0.00 177.43 177.28 2kwk h MET 302 N -0.38 -0.05 -0.13 6.67 2.86 0.49 0.24 114.93 124.63 2kwk h MET 302 Ca -0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2kwk h MET 302 Cb 0.93 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 2kwk h MET 302 CO 0.05 -0.03 -0.23 1.15 1.06 0.00 0.00 176.91 178.91 2kwk h THR 303 N -0.05 0.45 -0.13 2.22 2.02 -0.22 0.57 112.91 117.77 2kwk h THR 303 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2kwk h THR 303 Cb 0.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2kwk h THR 303 CO -0.05 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 175.55 2kwk h GLU 304 N -0.29 0.20 -0.33 6.66 5.08 -1.01 -2.92 114.58 121.97 2kwk h GLU 304 Ca 0.10 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2kwk h GLU 304 Cb 0.44 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2kwk h GLU 304 CO -0.30 0.31 -0.08 0.00 -1.00 0.00 0.00 179.01 177.95 2kwk h ALA 305 N 0.88 0.23 -0.15 3.43 0.00 -0.07 0.12 119.26 123.70 2kwk h ALA 305 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2kwk h ALA 305 Cb 0.19 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kwk h ALA 305 CO -0.00 -0.46 0.11 -0.39 0.00 0.00 0.00 179.25 178.51 2kwk h VAL 306 N 0.01 0.86 0.00 0.00 -1.51 -0.86 0.48 116.25 115.23 2kwk h VAL 306 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 2kwk h VAL 306 Cb 0.24 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2kwk h VAL 306 CO -0.34 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 176.11 2kwk h LYS 307 N 0.00 0.00 0.00 5.19 1.57 -0.64 -3.34 116.57 119.36 2kwk h LYS 307 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2kwk h LYS 307 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kwk h LYS 307 CO -0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.66 2kwk h THR 308 N 0.00 1.18 -1.93 -0.16 1.35 0.13 -3.49 112.91 109.99 2kwk h THR 308 Ca 0.00 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2kwk h THR 308 Cb 0.91 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2kwk h THR 308 CO 0.00 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 2kwk n TYR 309 N -4.67 0.00 -3.12 4.73 0.18 -0.60 -5.07 117.16 108.62 2kwk n TYR 309 Ca -0.07 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.26 2kwk n TYR 309 Cb 0.32 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.25 2kwk n TYR 309 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2kwk s LYS 310 N 1.86 3.40 0.34 -3.48 -0.14 -1.26 -4.77 119.74 115.68 2kwk s LYS 310 Ca 0.00 -1.83 0.02 0.00 -1.36 0.00 0.00 55.97 52.81 2kwk s LYS 310 Cb 0.00 -4.53 0.61 0.00 -1.68 0.00 0.00 37.83 32.23 2kwk s LYS 310 CO 0.00 -1.54 1.97 2.35 -0.76 0.00 0.00 175.35 177.37 2kwk h TRP 311 N 8.63 0.75 -2.66 3.18 7.01 -1.77 -3.47 115.95 127.61 2kwk h TRP 311 Ca -0.02 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2kwk h TRP 311 Cb 1.05 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 2kwk h TRP 311 CO 1.01 0.53 -0.66 1.04 -2.79 0.00 0.00 178.44 177.56 2kwk n GLN 312 N -4.40 -3.22 -2.79 2.65 6.02 -1.26 -4.63 117.38 109.76 2kwk n GLN 312 Ca 0.05 2.42 -0.43 0.00 -0.01 0.00 0.00 57.00 59.03 2kwk n GLN 312 Cb 0.10 -2.77 -0.03 0.00 1.02 0.00 0.00 30.24 28.56 2kwk n GLN 312 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kwk n ILE 314 N 6.03 0.00 0.17 0.00 2.08 -1.26 0.13 119.36 126.50 2kwk n ILE 314 Ca 0.26 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.66 2kwk n ILE 314 Cb 0.50 0.00 0.45 0.00 -0.75 0.00 0.00 39.64 39.84 2kwk n ILE 314 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kwk n GLU 315 N 0.00 0.11 -0.06 0.38 -0.58 -1.26 0.17 120.64 119.40 2kwk n GLU 315 Ca 0.00 0.60 -0.04 0.00 -0.42 0.00 0.00 57.16 57.30 2kwk n GLU 315 Cb 0.00 -2.05 -0.15 0.00 -0.57 0.00 0.00 31.44 28.67 2kwk n GLU 315 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kwk s LYS 317 N -2.77 3.26 0.32 0.00 2.20 0.44 -4.79 119.74 118.40 2kwk s LYS 317 Ca -0.08 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2kwk s LYS 317 Cb 0.08 -4.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 2kwk s LYS 317 CO 0.84 -1.98 0.52 -1.54 -0.36 0.00 0.00 175.35 172.84 2kwk s SER 318 N 4.89 6.32 -0.48 1.43 1.04 -1.26 -4.85 113.70 120.78 2kwk s SER 318 Ca 0.57 0.45 -0.27 0.00 0.48 0.00 0.00 55.95 57.18 2kwk s SER 318 Cb -0.12 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2kwk s SER 318 CO 0.26 -0.24 2.07 0.00 0.98 0.00 0.00 173.24 176.30 2kwk h ILE 320 N 7.17 0.50 -0.38 0.00 2.10 0.04 1.88 117.51 128.83 2kwk h ILE 320 Ca -0.28 -0.05 0.03 0.00 1.08 0.00 0.00 64.86 65.64 2kwk h ILE 320 Cb 1.21 0.33 -0.03 0.00 -1.09 0.00 0.00 36.82 37.23 2kwk h ILE 320 CO 1.14 0.03 0.17 -0.07 -1.08 0.00 0.00 178.15 178.34 2kwk h LEU 321 N 0.16 0.24 -2.17 2.19 3.38 -1.87 -3.18 115.31 114.05 2kwk h LEU 321 Ca 0.53 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2kwk h LEU 321 Cb 1.81 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2kwk h LEU 321 CO -0.11 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2kwk n GLY 323 N -0.30 -0.46 0.18 0.00 0.00 0.63 -4.81 105.19 100.44 2kwk n GLY 323 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2kwk n GLY 323 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kwk n THR 324 N -3.44 0.41 -0.43 2.61 -2.24 -1.24 -4.88 114.28 105.08 2kwk n THR 324 Ca 0.04 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2kwk n THR 324 Cb 0.49 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2kwk n THR 324 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kwk n SER 325 N -3.01 -1.28 0.00 3.42 3.41 -1.26 -4.76 113.62 110.13 2kwk n SER 325 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2kwk n SER 325 Cb 0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2kwk n SER 325 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kwk n GLU 326 N -2.43 0.00 -0.49 4.33 -0.58 -1.26 -2.61 120.64 117.61 2kwk n GLU 326 Ca 0.00 0.22 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 2kwk n GLU 326 Cb 0.00 -0.98 -0.02 0.00 -0.57 0.00 0.00 31.44 29.87 2kwk n GLU 326 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kwk n ASN 327 N -0.71 4.66 -0.09 1.62 3.02 -1.26 -4.55 115.26 117.95 2kwk n ASN 327 Ca 0.00 -2.25 0.24 0.00 -0.03 0.00 0.00 54.58 52.54 2kwk n ASN 327 Cb 0.00 -1.02 0.48 0.00 -0.61 0.00 0.00 39.78 38.64 2kwk n ASN 327 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2kwk h ASP 328 N 1.62 0.00 0.00 6.41 2.03 -1.89 0.11 116.42 124.70 2kwk h ASP 328 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2kwk h ASP 328 Cb 0.93 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 2kwk h ASP 328 CO 0.03 0.00 0.01 -0.90 -1.03 0.00 0.00 179.24 177.35 2kwk n ASP 329 N -3.27 0.00 0.00 4.15 5.75 -1.26 0.23 116.55 122.15 2kwk n ASP 329 Ca 0.17 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 2kwk n ASP 329 Cb 1.26 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 2kwk n ASP 329 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kwk n GLN 330 N -1.10 2.12 -1.51 0.11 6.02 0.38 -5.01 117.38 118.39 2kwk n GLN 330 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2kwk n GLN 330 Cb 0.01 -0.86 -0.17 0.00 1.02 0.00 0.00 30.24 30.24 2kwk n GLN 330 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2kwk n LEU 331 N -1.27 -0.12 -4.81 1.08 7.94 0.14 -2.96 117.00 116.99 2kwk n LEU 331 Ca 0.00 -0.21 -0.32 0.00 -1.11 0.00 0.00 56.01 54.37 2kwk n LEU 331 Cb 0.14 -0.86 0.02 0.00 0.53 0.00 0.00 43.42 43.24 2kwk n LEU 331 CO 0.00 -1.13 0.71 -0.76 -1.11 0.00 0.00 177.39 175.10 2kwk s LEU 332 N 6.32 3.39 -0.40 -1.96 1.43 0.37 -4.78 118.68 123.05 2kwk s LEU 332 Ca 1.30 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 56.15 2kwk s LEU 332 Cb -0.98 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 40.83 2kwk s LEU 332 CO 0.48 -1.18 0.13 -0.36 0.23 0.00 0.00 176.35 175.66 2kwk s PHE 333 N -2.68 3.59 0.12 0.29 0.40 -1.26 -2.30 117.98 116.14 2kwk s PHE 333 Ca 0.61 -3.00 -0.25 0.00 -0.60 0.00 0.00 56.93 53.69 2kwk s PHE 333 Cb -0.15 -2.93 -0.14 0.00 0.51 0.00 0.00 43.02 40.31 2kwk s PHE 333 CO 0.42 -0.89 0.54 0.00 0.70 0.00 0.00 175.22 175.99 2kwk n ASP 335 N 1.52 4.12 0.00 0.00 8.00 -1.12 -1.91 116.55 127.15 2kwk n ASP 335 Ca 0.15 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.85 2kwk n ASP 335 Cb 0.17 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2kwk n ASP 335 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kwk n ASP 336 N 0.12 2.54 0.00 -2.24 8.00 -1.26 -4.66 116.55 119.05 2kwk n ASP 336 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2kwk n ASP 336 Cb 1.04 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.57 2kwk n ASP 336 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kwk n ASP 338 N -0.32 -1.09 -2.56 0.00 2.03 -0.80 -4.13 116.55 109.68 2kwk n ASP 338 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kwk n ASP 338 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2kwk n ASP 338 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kwk n ARG 339 N -0.37 -0.51 -3.61 -0.67 1.74 -1.26 -4.58 116.66 107.39 2kwk n ARG 339 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2kwk n ARG 339 Cb 0.29 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.57 2kwk n ARG 339 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2kwk s GLY 340 N -2.34 0.20 -0.08 -0.13 0.00 -1.26 -2.85 107.32 100.86 2kwk s GLY 340 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 2kwk s GLY 340 CO 0.00 1.75 -0.04 -0.19 0.00 0.00 0.00 173.10 174.62 2kwk s TYR 341 N 2.21 1.00 0.01 1.90 1.51 -0.97 0.82 117.35 123.83 2kwk s TYR 341 Ca 0.04 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2kwk s TYR 341 Cb -0.15 -0.92 -0.08 0.00 -0.11 0.00 0.00 41.96 40.71 2kwk s TYR 341 CO -0.08 -0.35 1.78 -1.01 -1.11 0.00 0.00 175.55 174.78 2kwk s HIS 342 N 1.53 1.81 0.45 2.71 3.76 -1.26 -0.48 115.29 123.81 2kwk s HIS 342 Ca -0.01 -0.04 0.33 0.00 -0.15 0.00 0.00 55.06 55.19 2kwk s HIS 342 Cb -0.13 -4.06 1.12 0.00 1.11 0.00 0.00 32.58 30.62 2kwk s HIS 342 CO -0.04 -4.56 1.15 -1.33 -0.85 0.00 0.00 174.74 169.11 2kwk n MET 343 N 6.90 0.00 -1.47 1.40 2.81 -1.15 0.24 117.12 125.85 2kwk n MET 343 Ca 0.18 0.83 -0.33 0.00 -1.81 0.00 0.00 57.70 56.58 2kwk n MET 343 Cb 0.41 -1.98 0.07 0.00 -0.71 0.00 0.00 33.22 31.01 2kwk n MET 343 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2kwk n TYR 344 N -3.25 3.14 0.00 2.03 0.18 -1.26 0.12 117.16 118.11 2kwk n TYR 344 Ca 0.29 -2.87 0.00 0.00 1.88 0.00 0.00 57.90 57.20 2kwk n TYR 344 Cb 1.45 -1.23 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 2kwk n TYR 344 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kwk n LEU 346 N -0.63 -0.64 0.00 0.00 4.77 -1.18 -4.90 117.00 114.43 2kwk n LEU 346 Ca 0.00 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2kwk n LEU 346 Cb 0.06 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 39.94 2kwk n LEU 346 CO 0.00 -3.79 0.90 0.78 -1.33 0.00 0.00 177.39 173.95 2kwk h ASN 347 N -1.24 0.11 -3.38 -1.43 2.35 -1.96 -3.16 115.58 106.86 2kwk h ASN 347 Ca -0.44 -0.02 -0.72 0.00 -0.55 0.00 0.00 56.30 54.57 2kwk h ASN 347 Cb 1.30 -0.03 -0.34 0.00 0.05 0.00 0.00 38.32 39.30 2kwk h ASN 347 CO 0.35 0.09 0.02 -2.16 -1.65 0.00 0.00 177.43 174.08 2kwk s PRO 348 N -6.12 3.47 0.01 0.81 0.04 -1.26 -5.06 135.00 126.90 2kwk s PRO 348 Ca -0.13 -3.27 -0.39 0.00 0.04 0.00 0.00 61.00 57.25 2kwk s PRO 348 Cb 0.07 -4.08 -0.19 0.00 0.04 0.00 0.00 34.50 30.33 2kwk s PRO 348 CO 0.68 -1.26 1.16 -2.30 0.04 0.00 0.00 177.00 175.32 2kwk n PRO 349 N 2.41 0.33 -0.09 0.56 -0.02 -1.20 -4.88 135.00 132.10 2kwk n PRO 349 Ca 0.22 0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2kwk n PRO 349 Cb 0.37 -1.66 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 2kwk n PRO 349 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kwk h VAL 350 N 3.16 1.28 0.00 -1.45 2.07 -0.67 -3.47 116.25 117.16 2kwk h VAL 350 Ca -0.50 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2kwk h VAL 350 Cb 1.40 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2kwk h VAL 350 CO 0.70 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.62 2kwk n ALA 351 N -2.39 0.00 -3.37 1.67 0.00 -1.23 -4.77 120.51 110.43 2kwk n ALA 351 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2kwk n ALA 351 Cb 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 2kwk n ALA 351 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kwk s GLU 352 N 0.00 0.07 -0.34 0.00 -1.05 -1.26 -4.96 118.70 111.16 2kwk s GLU 352 Ca 0.00 0.21 -0.31 0.00 -0.15 0.00 0.00 54.97 54.72 2kwk s GLU 352 Cb 0.00 -0.08 -0.13 0.00 -0.44 0.00 0.00 34.13 33.47 2kwk s GLU 352 CO 0.00 -0.09 1.22 -2.30 0.95 0.00 0.00 175.26 175.04 2kwk n PRO 353 N 3.64 0.00 -1.05 -4.83 -0.01 -1.26 -4.71 135.00 126.77 2kwk n PRO 353 Ca -0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 62.94 2kwk n PRO 353 Cb 0.55 -1.01 -0.01 0.00 -0.01 0.00 0.00 33.50 33.01 2kwk n PRO 353 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2kwk n PRO 354 N 3.60 0.00 0.27 0.52 -0.02 -1.26 -4.82 135.00 133.28 2kwk n PRO 354 Ca 0.27 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2kwk n PRO 354 Cb -0.04 -0.78 0.75 0.00 -0.02 0.00 0.00 33.50 33.42 2kwk n PRO 354 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kwk h GLU 355 N 0.54 0.00 0.00 -0.52 5.08 -2.00 -3.45 114.58 114.23 2kwk h GLU 355 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2kwk h GLU 355 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kwk h GLU 355 CO 0.41 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 2kwk n GLY 356 N -1.19 4.15 3.73 -3.84 0.00 -1.26 -5.12 105.19 101.66 2kwk n GLY 356 Ca -0.03 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2kwk n GLY 356 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwk s SER 357 N 1.14 7.44 0.05 1.61 0.01 -1.26 -5.05 113.70 117.63 2kwk s SER 357 Ca 0.00 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.06 2kwk s SER 357 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2kwk s SER 357 CO 0.00 -0.07 -0.17 0.86 0.41 0.00 0.00 173.24 174.27 2kwk s TRP 358 N 0.08 2.58 -0.01 2.43 -0.00 -1.26 -5.03 118.94 117.73 2kwk s TRP 358 Ca 0.46 -0.24 0.04 0.00 -0.00 0.00 0.00 56.10 56.36 2kwk s TRP 358 Cb -0.23 -1.46 -0.01 0.00 -0.00 0.00 0.00 33.47 31.77 2kwk s TRP 358 CO 0.29 0.27 -0.14 -1.54 -0.00 0.00 0.00 176.95 175.83 2kwk s SER 359 N -1.51 1.64 1.00 5.86 1.04 -1.26 -2.81 113.70 117.66 2kwk s SER 359 Ca 0.15 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 2kwk s SER 359 Cb -0.11 -0.18 0.21 0.00 0.10 0.00 0.00 66.02 66.05 2kwk s SER 359 CO 0.06 0.17 1.28 0.00 0.98 0.00 0.00 173.24 175.73 2kwk h HIS 361 N -1.80 0.00 0.12 0.00 2.07 -2.01 -2.98 115.15 110.54 2kwk h HIS 361 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 2kwk h HIS 361 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2kwk h HIS 361 CO -1.30 0.69 -0.06 1.25 -3.07 0.00 0.00 177.93 175.44 2kwk h LEU 362 N 0.00 -0.14 -0.78 6.12 7.12 -1.98 0.31 115.31 125.96 2kwk h LEU 362 Ca -0.01 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.89 2kwk h LEU 362 Cb 1.30 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.43 2kwk h LEU 362 CO 0.09 -0.00 0.36 0.00 -0.13 0.00 0.00 178.44 178.76 2kwk h TRP 364 N 1.11 0.62 0.00 0.00 7.01 -1.40 0.15 115.95 123.43 2kwk h TRP 364 Ca 0.27 -0.18 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 2kwk h TRP 364 Cb 0.14 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2kwk h TRP 364 CO 0.01 0.86 -0.15 1.49 -2.79 0.00 0.00 178.44 177.86 2kwk h GLU 365 N 0.20 0.00 0.00 2.65 4.81 -0.22 0.33 114.58 122.35 2kwk h GLU 365 Ca 0.03 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2kwk h GLU 365 Cb 0.75 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2kwk h GLU 365 CO 0.05 0.15 -0.78 1.25 -0.73 0.00 0.00 179.01 178.96 2kwk h LEU 366 N 0.00 0.00 -0.19 1.64 7.12 -0.81 -2.16 115.31 120.91 2kwk h LEU 366 Ca -0.00 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.92 2kwk h LEU 366 Cb 0.28 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2kwk h LEU 366 CO 0.02 0.78 -0.21 0.25 -0.13 0.00 0.00 178.44 179.15 2kwk h LEU 367 N 0.00 0.51 -0.67 2.25 6.46 0.25 -2.54 115.31 121.57 2kwk h LEU 367 Ca -0.01 -0.49 -0.14 0.00 -0.12 0.00 0.00 57.88 57.12 2kwk h LEU 367 Cb 1.45 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 2kwk h LEU 367 CO 0.10 0.90 -0.56 0.11 -0.62 0.00 0.00 178.44 178.37 2kwk h LYS 368 N 0.13 0.31 -0.72 1.25 1.57 -1.19 -2.86 116.57 115.08 2kwk h LYS 368 Ca 0.03 -0.20 0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2kwk h LYS 368 Cb 0.76 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 2kwk h LYS 368 CO 0.05 0.79 0.48 1.49 -0.57 0.00 0.00 179.45 181.68 2kwk h GLU 369 N 0.24 0.53 -0.37 3.15 4.81 -1.20 0.19 114.58 121.93 2kwk h GLU 369 Ca 0.00 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2kwk h GLU 369 Cb 1.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2kwk h GLU 369 CO 0.09 0.35 0.38 0.87 -0.73 0.00 0.00 179.01 179.97 2kwk h LYS 370 N 0.55 0.00 0.00 1.92 1.79 -1.21 -3.47 116.57 116.15 2kwk h LYS 370 Ca 0.34 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.99 2kwk h LYS 370 Cb 0.57 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 2kwk h LYS 370 CO -0.12 0.00 -0.25 0.00 -1.08 0.00 0.00 179.45 178.01 2kwk n ALA 371 N -2.38 -1.80 0.34 3.86 0.00 0.05 -5.15 120.51 115.44 2kwk n ALA 371 Ca 0.06 0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.76 2kwk n ALA 371 Cb 0.55 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.42 2kwk n ALA 371 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37