#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr6 h VAL 293 N 0.00 0.84 0.01 1.12 2.07 -2.06 -1.72 116.25 116.51 2kr6 h VAL 293 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2kr6 h VAL 293 Cb 0.00 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 2kr6 h VAL 293 CO 0.00 0.15 -0.03 -0.50 0.02 0.00 0.00 177.57 177.21 2kr6 h TRP 294 N 0.82 -0.07 -1.01 1.57 6.55 -2.05 -1.18 115.95 120.58 2kr6 h TRP 294 Ca 0.48 0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.39 2kr6 h TRP 294 Cb 0.56 0.03 -0.07 0.00 -0.86 0.00 0.00 29.16 28.82 2kr6 h TRP 294 CO -0.04 -0.05 0.65 -0.07 -1.05 0.00 0.00 178.44 177.88 2kr6 h LEU 295 N -0.06 1.02 0.14 -4.49 4.07 -1.79 -1.17 115.31 113.03 2kr6 h LEU 295 Ca 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2kr6 h LEU 295 Cb 0.07 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.61 2kr6 h LEU 295 CO -0.02 0.63 -0.07 0.58 -1.08 0.00 0.00 178.44 178.48 2kr6 h VAL 296 N 1.15 0.95 -0.07 1.22 2.07 -0.91 -2.43 116.25 118.23 2kr6 h VAL 296 Ca 0.45 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2kr6 h VAL 296 Cb 0.23 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2kr6 h VAL 296 CO -0.19 0.08 0.05 -1.13 0.02 0.00 0.00 177.57 176.41 2kr6 h ASN 297 N -0.35 0.00 0.73 0.57 -1.24 -0.81 -0.22 115.58 114.26 2kr6 h ASN 297 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.88 2kr6 h ASN 297 Cb 0.28 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2kr6 h ASN 297 CO 0.03 0.00 -0.53 -0.03 -1.29 0.00 0.00 177.43 175.61 2kr6 h MET 298 N 0.00 0.00 -0.82 6.67 4.05 -0.86 -2.93 114.93 121.04 2kr6 h MET 298 Ca 0.03 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.24 2kr6 h MET 298 Cb 0.14 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 30.81 2kr6 h MET 298 CO -0.00 0.53 0.27 0.00 0.23 0.00 0.00 176.91 177.95 2kr6 n ALA 299 N -2.37 4.39 0.38 0.39 0.00 -0.10 -4.00 120.51 119.19 2kr6 n ALA 299 Ca -0.01 -2.02 0.12 0.00 0.00 0.00 0.00 53.44 51.53 2kr6 n ALA 299 Cb 0.58 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.92 2kr6 n ALA 299 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kr6 h GLU 300 N 2.12 0.00 0.00 0.00 4.57 -1.38 -3.47 114.58 116.42 2kr6 h GLU 300 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2kr6 h GLU 300 Cb 2.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.75 2kr6 h GLU 300 CO 0.67 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.91 2kr6 n GLY 301 N 1.26 0.35 2.48 1.92 0.00 -1.26 -5.11 105.19 104.83 2kr6 n GLY 301 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2kr6 n GLY 301 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kr6 n ASP 302 N 0.00 0.72 -4.55 1.61 2.03 -1.26 -5.08 116.55 110.02 2kr6 n ASP 302 Ca 0.00 -2.69 -0.38 0.00 0.52 0.00 0.00 54.79 52.24 2kr6 n ASP 302 Cb 0.00 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 2kr6 n ASP 302 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2kr6 s PRO 303 N -0.66 2.62 -0.13 -0.67 0.04 -1.26 -4.74 135.00 130.20 2kr6 s PRO 303 Ca 0.32 0.57 0.08 0.00 0.04 0.00 0.00 61.00 62.01 2kr6 s PRO 303 Cb 0.05 -4.42 -0.13 0.00 0.04 0.00 0.00 34.50 30.03 2kr6 s PRO 303 CO -0.17 -2.77 -0.02 0.39 0.04 0.00 0.00 177.00 174.48 2kr6 n GLU 304 N 9.18 1.47 -3.66 4.56 1.02 -1.26 -5.00 120.64 126.95 2kr6 n GLU 304 Ca 0.21 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 2kr6 n GLU 304 Cb 0.52 -1.31 -0.09 0.00 -0.02 0.00 0.00 31.44 30.54 2kr6 n GLU 304 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kr6 s ALA 305 N -2.30 -1.34 -0.04 0.62 0.00 -1.26 -5.12 121.76 112.31 2kr6 s ALA 305 Ca -0.11 1.73 -0.34 0.00 0.00 0.00 0.00 51.96 53.24 2kr6 s ALA 305 Cb 0.04 -1.31 -0.12 0.00 0.00 0.00 0.00 23.12 21.73 2kr6 s ALA 305 CO 0.46 -0.63 1.85 0.94 0.00 0.00 0.00 175.76 178.37 2kr6 n GLN 306 N 5.04 2.24 -1.49 0.00 7.27 -1.26 -4.96 117.38 124.22 2kr6 n GLN 306 Ca -0.14 0.82 -0.30 0.00 0.07 0.00 0.00 57.00 57.45 2kr6 n GLN 306 Cb 0.52 -2.66 0.22 0.00 2.41 0.00 0.00 30.24 30.72 2kr6 n GLN 306 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2kr6 s ARG 307 N 3.64 -0.41 -0.32 3.69 1.81 -1.26 -4.99 118.95 121.12 2kr6 s ARG 307 Ca 0.90 -0.26 0.08 0.00 -1.72 0.00 0.00 55.73 54.73 2kr6 s ARG 307 Cb -0.67 -1.71 0.50 0.00 -0.45 0.00 0.00 34.95 32.62 2kr6 s ARG 307 CO 0.49 -3.14 1.47 -2.13 -0.68 0.00 0.00 175.30 171.31 2kr6 n ARG 308 N -4.31 2.08 -0.07 3.54 3.00 -1.26 -4.54 116.66 115.09 2kr6 n ARG 308 Ca 0.15 -3.32 -0.06 0.00 -0.00 0.00 0.00 57.85 54.62 2kr6 n ARG 308 Cb 0.59 -1.90 -0.16 0.00 0.00 0.00 0.00 32.46 31.00 2kr6 n ARG 308 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2kr6 n VAL 309 N -1.07 1.14 0.17 5.15 3.14 -1.26 -3.62 118.33 121.98 2kr6 n VAL 309 Ca 0.36 -0.78 0.06 0.00 -2.96 0.00 0.00 64.34 61.02 2kr6 n VAL 309 Cb 1.00 -0.42 0.53 0.00 -1.06 0.00 0.00 33.84 33.89 2kr6 n VAL 309 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 2kr6 h SER 310 N 0.00 0.14 0.51 6.55 0.87 -2.01 -2.38 113.55 117.24 2kr6 h SER 310 Ca -0.42 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 59.87 2kr6 h SER 310 Cb 1.98 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.86 2kr6 h SER 310 CO 0.03 0.17 -1.67 1.17 -0.53 0.00 0.00 176.83 175.99 2kr6 n LYS 311 N -4.45 0.63 -3.15 2.24 4.81 -1.26 -5.03 118.16 111.96 2kr6 n LYS 311 Ca -0.01 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.64 2kr6 n LYS 311 Cb 0.14 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.41 2kr6 n LYS 311 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kr6 n ASN 312 N -2.97 -7.42 -1.34 3.14 3.02 -0.90 -4.93 115.26 103.86 2kr6 n ASN 312 Ca -0.16 -0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.15 2kr6 n ASN 312 Cb 0.99 -4.84 0.20 0.00 -0.61 0.00 0.00 39.78 35.53 2kr6 n ASN 312 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2kr6 n SER 313 N -1.84 2.83 -0.06 6.41 3.41 -1.26 -4.48 113.62 118.63 2kr6 n SER 313 Ca -0.04 -3.69 -0.07 0.00 -0.26 0.00 0.00 58.87 54.81 2kr6 n SER 313 Cb 0.53 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 2kr6 n SER 313 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kr6 n LYS 314 N -1.06 1.21 -0.23 4.33 4.81 -1.26 -5.12 118.16 120.84 2kr6 n LYS 314 Ca 0.37 0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.88 2kr6 n LYS 314 Cb 1.14 -1.26 -0.01 0.00 0.02 0.00 0.00 35.03 34.92 2kr6 n LYS 314 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kr6 n TYR 315 N -2.66 -2.25 -4.33 5.64 4.01 -1.26 -4.94 117.16 111.36 2kr6 n TYR 315 Ca -0.20 0.28 -0.17 0.00 -0.16 0.00 0.00 57.90 57.65 2kr6 n TYR 315 Cb 0.79 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 2kr6 n TYR 315 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2kr6 s ASN 316 N -4.50 2.03 -0.51 7.72 3.84 -1.26 -5.12 114.94 117.15 2kr6 s ASN 316 Ca 0.00 -1.17 -0.01 0.00 0.21 0.00 0.00 52.86 51.89 2kr6 s ASN 316 Cb 0.00 -0.03 0.13 0.00 -0.55 0.00 0.00 41.25 40.80 2kr6 s ASN 316 CO 0.00 -0.43 0.30 0.00 -2.79 0.00 0.00 177.10 174.18 2kr6 s ALA 317 N -3.31 3.33 0.90 1.71 0.00 -1.26 -5.09 121.76 118.04 2kr6 s ALA 317 Ca 0.26 -2.96 -0.07 0.00 0.00 0.00 0.00 51.96 49.19 2kr6 s ALA 317 Cb 0.04 -2.43 0.11 0.00 0.00 0.00 0.00 23.12 20.85 2kr6 s ALA 317 CO 0.08 -1.95 0.69 -1.91 0.00 0.00 0.00 175.76 172.67 2kr6 n GLU 318 N 3.86 -0.49 -3.64 0.00 4.07 -1.26 -5.12 120.64 118.06 2kr6 n GLU 318 Ca 0.04 -1.23 -0.09 0.00 -0.06 0.00 0.00 57.16 55.82 2kr6 n GLU 318 Cb 0.38 -0.66 -0.07 0.00 -0.06 0.00 0.00 31.44 31.03 2kr6 n GLU 318 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2kr6 s SER 319 N -3.59 -0.89 -0.03 4.31 1.04 -1.26 -5.17 113.70 108.12 2kr6 s SER 319 Ca 0.41 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 2kr6 s SER 319 Cb -0.01 1.41 0.01 0.00 0.10 0.00 0.00 66.02 67.52 2kr6 s SER 319 CO 0.28 -0.24 0.10 0.42 0.98 0.00 0.00 173.24 174.78 2kr6 s THR 320 N 1.31 0.03 -0.24 2.02 -4.23 -1.26 -5.14 115.64 108.12 2kr6 s THR 320 Ca -0.07 -0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2kr6 s THR 320 Cb -0.05 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.53 2kr6 s THR 320 CO -0.14 -0.12 0.14 -1.61 -0.54 0.00 0.00 174.62 172.35 2kr6 s GLU 321 N -0.35 3.98 -0.04 3.99 2.02 -1.26 -5.07 118.70 121.98 2kr6 s GLU 321 Ca -0.04 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2kr6 s GLU 321 Cb -0.03 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 2kr6 s GLU 321 CO 0.00 0.01 1.15 0.50 0.02 0.00 0.00 175.26 176.95 2kr6 s ARG 322 N 1.18 4.39 -0.01 1.61 3.52 -1.26 -5.00 118.95 123.37 2kr6 s ARG 322 Ca 0.07 1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 57.00 2kr6 s ARG 322 Cb -0.14 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 2kr6 s ARG 322 CO 0.05 -0.37 0.96 -1.21 -0.81 0.00 0.00 175.30 173.93 2kr6 s GLU 323 N 1.92 4.54 -0.29 5.12 0.41 -1.26 -5.03 118.70 124.11 2kr6 s GLU 323 Ca 0.55 1.38 -0.06 0.00 -0.41 0.00 0.00 54.97 56.43 2kr6 s GLU 323 Cb -0.24 -3.47 0.01 0.00 -1.78 0.00 0.00 34.13 28.66 2kr6 s GLU 323 CO 0.23 -0.06 0.06 -1.12 -0.49 0.00 0.00 175.26 173.88 2kr6 s SER 324 N 1.00 5.03 -0.28 -0.19 0.01 -1.26 -5.07 113.70 112.95 2kr6 s SER 324 Ca 0.51 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 57.03 2kr6 s SER 324 Cb -0.21 -1.85 0.07 0.00 0.21 0.00 0.00 66.02 64.25 2kr6 s SER 324 CO 0.27 -0.19 -0.06 0.00 0.41 0.00 0.00 173.24 173.66 2kr6 s GLN 325 N 1.47 1.95 -0.07 12.44 -2.07 -1.26 -5.09 119.66 127.02 2kr6 s GLN 325 Ca 0.02 -1.43 -0.06 0.00 -1.82 0.00 0.00 55.36 52.07 2kr6 s GLN 325 Cb -0.17 -2.91 0.02 0.00 -1.09 0.00 0.00 33.01 28.86 2kr6 s GLN 325 CO 0.02 -0.67 0.19 0.16 -1.32 0.00 0.00 175.29 173.66 2kr6 s ASP 326 N 1.10 -0.19 -0.30 12.60 -4.77 -1.26 -5.14 116.67 118.71 2kr6 s ASP 326 Ca -0.03 0.38 -0.05 0.00 -3.30 0.00 0.00 52.55 49.55 2kr6 s ASP 326 Cb -0.20 0.36 0.17 0.00 -1.09 0.00 0.00 42.92 42.16 2kr6 s ASP 326 CO -0.06 -0.09 0.64 -0.89 0.70 0.00 0.00 175.17 175.46 2kr6 s THR 327 N 0.42 -0.98 -0.07 2.11 2.01 -1.26 -5.15 115.64 112.72 2kr6 s THR 327 Ca -0.03 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 2kr6 s THR 327 Cb -0.04 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2kr6 s THR 327 CO -0.02 0.00 0.43 0.54 -0.69 0.00 0.00 174.62 174.88 2kr6 s VAL 328 N 2.87 5.13 -0.32 3.82 0.11 -1.26 -4.97 120.40 125.78 2kr6 s VAL 328 Ca 0.10 0.86 0.16 0.00 -2.93 0.00 0.00 61.98 60.17 2kr6 s VAL 328 Cb -0.14 -3.75 0.44 0.00 -1.53 0.00 0.00 36.38 31.41 2kr6 s VAL 328 CO -0.20 0.44 1.30 0.00 -3.33 0.00 0.00 175.10 173.31 2kr6 n ALA 329 N 2.87 2.60 -2.62 1.54 0.00 -1.26 -5.10 120.51 118.53 2kr6 n ALA 329 Ca -0.11 -1.88 -0.42 0.00 0.00 0.00 0.00 53.44 51.03 2kr6 n ALA 329 Cb 0.52 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 2kr6 n ALA 329 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kr6 s GLU 330 N -1.53 3.99 -0.07 0.00 2.02 -1.26 -5.03 118.70 116.83 2kr6 s GLU 330 Ca 0.19 0.81 0.04 0.00 0.02 0.00 0.00 54.97 56.03 2kr6 s GLU 330 Cb 0.40 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2kr6 s GLU 330 CO -0.07 -0.81 -0.18 -0.80 0.02 0.00 0.00 175.26 173.42 2kr6 s ASN 331 N 1.66 2.32 -0.30 -0.19 -0.87 -1.26 -5.10 114.94 111.20 2kr6 s ASN 331 Ca 0.39 -0.40 -0.17 0.00 -1.57 0.00 0.00 52.86 51.11 2kr6 s ASN 331 Cb -0.13 -0.91 0.18 0.00 -0.02 0.00 0.00 41.25 40.37 2kr6 s ASN 331 CO 0.14 0.12 1.16 1.51 -2.57 0.00 0.00 177.10 177.46 2kr6 s ASP 332 N 0.33 -0.28 0.00 -1.22 -4.77 -1.26 -5.06 116.67 104.41 2kr6 s ASP 332 Ca -0.12 0.34 0.00 0.00 -3.30 0.00 0.00 52.55 49.48 2kr6 s ASP 332 Cb -0.15 1.30 0.00 0.00 -1.09 0.00 0.00 42.92 42.98 2kr6 s ASP 332 CO 0.05 -0.05 0.00 0.47 0.70 0.00 0.00 175.17 176.33 2kr6 n ASP 333 N 4.85 2.70 0.00 2.11 9.92 -1.26 -5.07 116.55 129.81 2kr6 n ASP 333 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2kr6 n ASP 333 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 2kr6 n ASP 333 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kr6 n GLY 334 N 3.00 1.68 3.78 0.44 0.00 -1.26 -4.83 105.19 108.00 2kr6 n GLY 334 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2kr6 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kr6 n GLY 335 N 0.00 -0.40 3.89 -0.02 0.00 -1.26 -4.98 105.19 102.43 2kr6 n GLY 335 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2kr6 n GLY 335 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kr6 s PHE 336 N -3.48 3.48 -0.32 1.61 0.08 -1.26 -5.09 117.98 113.00 2kr6 s PHE 336 Ca 0.33 0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.66 2kr6 s PHE 336 Cb -0.16 -1.76 0.16 0.00 -0.57 0.00 0.00 43.02 40.68 2kr6 s PHE 336 CO 0.81 0.60 0.41 -1.12 -0.10 0.00 0.00 175.22 175.82 2kr6 s SER 337 N -2.27 0.49 -0.43 1.36 0.01 -1.26 -5.07 113.70 106.53 2kr6 s SER 337 Ca 0.31 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2kr6 s SER 337 Cb -0.13 1.01 0.17 0.00 0.21 0.00 0.00 66.02 67.28 2kr6 s SER 337 CO 0.24 -0.32 0.43 -1.61 0.41 0.00 0.00 173.24 172.39 2kr6 s GLU 338 N 2.19 0.91 -0.27 12.44 2.02 -1.26 -5.11 118.70 129.63 2kr6 s GLU 338 Ca 0.12 -1.74 -0.06 0.00 0.02 0.00 0.00 54.97 53.31 2kr6 s GLU 338 Cb -0.12 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2kr6 s GLU 338 CO -0.22 -1.35 0.04 -1.21 0.02 0.00 0.00 175.26 172.54 2kr6 s GLU 339 N 0.40 3.19 0.92 1.61 8.01 -1.26 -5.04 118.70 126.52 2kr6 s GLU 339 Ca 0.30 -0.78 -0.12 0.00 0.01 0.00 0.00 54.97 54.38 2kr6 s GLU 339 Cb 0.00 -3.26 0.14 0.00 -4.31 0.00 0.00 34.13 26.71 2kr6 s GLU 339 CO -0.14 -0.36 1.14 -1.58 0.01 0.00 0.00 175.26 174.32 2kr6 s TRP 340 N 1.49 2.46 -0.85 1.61 0.52 -1.23 -4.95 118.94 117.99 2kr6 s TRP 340 Ca 0.03 0.84 -0.25 0.00 0.02 0.00 0.00 56.10 56.74 2kr6 s TRP 340 Cb -0.16 -3.40 0.04 0.00 -1.15 0.00 0.00 33.47 28.80 2kr6 s TRP 340 CO 0.01 -2.40 1.32 -2.00 0.02 0.00 0.00 176.95 173.89 2kr6 s GLU 341 N -5.29 3.36 -1.33 4.98 -6.30 -1.26 -3.88 118.70 108.98 2kr6 s GLU 341 Ca 0.64 -0.69 -0.07 0.00 -2.50 0.00 0.00 54.97 52.36 2kr6 s GLU 341 Cb -0.15 -4.67 0.01 0.00 0.00 0.00 0.00 34.13 29.32 2kr6 s GLU 341 CO 0.53 -2.13 0.90 0.00 0.02 0.00 0.00 175.26 174.58 2kr6 n ALA 342 N 8.95 -1.09 -3.44 6.30 0.00 -1.26 -4.99 120.51 124.98 2kr6 n ALA 342 Ca 0.15 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 2kr6 n ALA 342 Cb 0.50 -4.61 -0.03 0.00 0.00 0.00 0.00 19.45 15.30 2kr6 n ALA 342 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2kr6 s GLN 343 N -6.00 1.20 -0.27 0.00 0.74 -1.25 -5.00 119.66 109.08 2kr6 s GLN 343 Ca 0.45 -0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.60 2kr6 s GLN 343 Cb -0.20 0.56 0.15 0.00 1.10 0.00 0.00 33.01 34.62 2kr6 s GLN 343 CO 0.55 -0.49 0.42 -0.98 -0.55 0.00 0.00 175.29 174.25 2kr6 s ARG 344 N -2.97 0.40 -0.28 1.67 1.70 -1.26 -3.50 118.95 114.71 2kr6 s ARG 344 Ca -0.03 0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 55.51 2kr6 s ARG 344 Cb -0.01 -0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.09 2kr6 s ARG 344 CO -0.06 -0.84 0.24 -3.47 -1.08 0.00 0.00 175.30 170.09 2kr6 n ASP 345 N 5.37 -7.30 -3.96 -2.89 -0.08 -1.26 -5.04 116.55 101.39 2kr6 n ASP 345 Ca -0.01 0.75 -0.08 0.00 -1.51 0.00 0.00 54.79 53.93 2kr6 n ASP 345 Cb 0.50 -3.90 -0.09 0.00 2.34 0.00 0.00 41.12 39.97 2kr6 n ASP 345 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kr6 s SER 346 N -1.68 0.27 -0.32 1.67 0.15 -1.26 -5.14 113.70 107.40 2kr6 s SER 346 Ca 0.12 -0.76 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 2kr6 s SER 346 Cb -0.02 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 2kr6 s SER 346 CO 0.61 -0.64 0.12 -2.28 1.20 0.00 0.00 173.24 172.25 2kr6 s HIS 347 N -3.64 1.35 0.02 3.44 2.46 -1.26 -5.03 115.29 112.64 2kr6 s HIS 347 Ca 0.04 -1.59 -0.20 0.00 0.47 0.00 0.00 55.06 53.77 2kr6 s HIS 347 Cb 0.05 -1.50 -0.11 0.00 -0.13 0.00 0.00 32.58 30.89 2kr6 s HIS 347 CO -0.09 -0.86 1.17 -0.07 -2.47 0.00 0.00 174.74 172.42 2kr6 h LEU 348 N 7.98 -0.62 0.00 8.88 4.07 -2.06 -3.49 115.31 130.07 2kr6 h LEU 348 Ca -0.13 0.02 0.11 0.00 0.08 0.00 0.00 57.88 57.97 2kr6 h LEU 348 Cb 1.00 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 2kr6 h LEU 348 CO 0.45 -0.40 -0.15 0.61 -1.08 0.00 0.00 178.44 177.87 2kr6 n GLY 349 N -0.98 -1.65 3.57 0.83 0.00 -1.26 -4.37 105.19 101.32 2kr6 n GLY 349 Ca -0.09 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 2kr6 n GLY 349 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kr6 s PRO 350 N -0.80 2.52 -0.28 1.61 0.04 -1.26 -4.69 135.00 132.14 2kr6 s PRO 350 Ca 0.00 -0.83 0.10 0.00 0.04 0.00 0.00 61.00 60.31 2kr6 s PRO 350 Cb 0.00 -5.17 0.51 0.00 0.04 0.00 0.00 34.50 29.88 2kr6 s PRO 350 CO 0.00 -3.75 1.46 0.72 0.04 0.00 0.00 177.00 175.47 2kr6 n HIS 351 N 14.24 1.09 -2.41 0.56 8.25 -1.26 -5.09 115.22 130.60 2kr6 n HIS 351 Ca 0.43 -1.52 0.10 0.00 -0.26 0.00 0.00 57.72 56.47 2kr6 n HIS 351 Cb 0.47 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 2kr6 n HIS 351 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2kr6 n ARG 352 N -1.06 -1.52 -3.48 -0.41 3.00 -1.26 -4.83 116.66 107.10 2kr6 n ARG 352 Ca 0.32 1.00 -0.22 0.00 -0.00 0.00 0.00 57.85 58.96 2kr6 n ARG 352 Cb 1.03 -1.85 -0.13 0.00 0.00 0.00 0.00 32.46 31.51 2kr6 n ARG 352 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kr6 s SER 353 N -5.38 2.20 0.25 6.15 0.15 -1.26 -5.15 113.70 110.67 2kr6 s SER 353 Ca 0.00 -0.77 0.08 0.00 0.70 0.00 0.00 55.95 55.96 2kr6 s SER 353 Cb 0.00 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2kr6 s SER 353 CO 0.00 -0.39 0.08 0.42 1.20 0.00 0.00 173.24 174.56 2kr6 s THR 354 N 2.26 3.91 -0.47 6.45 -4.23 -1.26 -5.06 115.64 117.24 2kr6 s THR 354 Ca 0.08 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.66 2kr6 s THR 354 Cb -0.15 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 2kr6 s THR 354 CO -0.27 -0.34 1.78 -2.16 -0.54 0.00 0.00 174.62 173.08 2kr6 s PRO 355 N -3.69 3.03 0.53 3.99 0.04 -1.26 -4.85 135.00 132.79 2kr6 s PRO 355 Ca 0.32 0.98 0.19 0.00 0.04 0.00 0.00 61.00 62.52 2kr6 s PRO 355 Cb -0.07 -4.26 1.36 0.00 0.04 0.00 0.00 34.50 31.56 2kr6 s PRO 355 CO 0.22 -2.23 2.15 0.93 0.04 0.00 0.00 177.00 178.11 2kr6 h GLU 356 N 13.56 0.00 0.52 4.56 5.08 -1.97 0.27 114.58 136.59 2kr6 h GLU 356 Ca -0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2kr6 h GLU 356 Cb 1.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kr6 h GLU 356 CO 1.13 0.00 -0.25 1.03 -1.00 0.00 0.00 179.01 179.92 2kr6 h SER 357 N 0.00 -0.59 0.05 1.42 0.87 -1.99 0.20 113.55 113.51 2kr6 h SER 357 Ca 0.02 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2kr6 h SER 357 Cb 0.10 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2kr6 h SER 357 CO -0.00 -0.41 -0.16 -0.09 -0.53 0.00 0.00 176.83 175.64 2kr6 h ARG 358 N -0.71 0.24 -0.45 2.24 2.43 -1.95 -1.86 114.38 114.31 2kr6 h ARG 358 Ca -0.07 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2kr6 h ARG 358 Cb 0.53 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2kr6 h ARG 358 CO 0.12 0.41 0.06 0.00 -1.51 0.00 0.00 179.97 179.05 2kr6 h ALA 359 N 1.61 0.60 -0.30 2.80 0.00 -0.88 -2.31 119.26 120.79 2kr6 h ALA 359 Ca 0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2kr6 h ALA 359 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kr6 h ALA 359 CO 0.03 0.34 -0.42 0.00 0.00 0.00 0.00 179.25 179.19 2kr6 h ALA 360 N 0.94 0.69 0.55 0.00 0.00 -0.31 -1.60 119.26 119.54 2kr6 h ALA 360 Ca 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kr6 h ALA 360 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kr6 h ALA 360 CO 0.01 0.67 -0.31 0.28 0.00 0.00 0.00 179.25 179.90 2kr6 h VAL 361 N 0.60 0.37 0.21 0.00 2.07 -1.22 0.25 116.25 118.53 2kr6 h VAL 361 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2kr6 h VAL 361 Cb 0.97 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2kr6 h VAL 361 CO 0.09 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 179.14 2kr6 h GLN 362 N -0.80 -0.27 -0.49 1.57 1.08 -1.47 -2.37 115.11 112.36 2kr6 h GLN 362 Ca -0.07 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2kr6 h GLN 362 Cb 0.64 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 2kr6 h GLN 362 CO 0.09 -0.08 0.34 1.49 -0.95 0.00 0.00 178.83 179.73 2kr6 h GLU 363 N -0.42 0.20 0.20 1.46 4.22 -1.28 -2.10 114.58 116.85 2kr6 h GLU 363 Ca -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 2kr6 h GLU 363 Cb 0.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kr6 h GLU 363 CO 0.05 0.13 -0.10 1.25 -2.18 0.00 0.00 179.01 178.16 2kr6 h LEU 364 N 0.20 -0.22 -1.45 1.64 6.46 -0.15 0.25 115.31 122.03 2kr6 h LEU 364 Ca 0.23 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2kr6 h LEU 364 Cb 0.65 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.59 2kr6 h LEU 364 CO -0.04 0.10 0.47 0.28 -0.62 0.00 0.00 178.44 178.63 2kr6 h SER 365 N -0.57 0.56 0.53 1.25 0.02 -0.89 0.33 113.55 114.77 2kr6 h SER 365 Ca -0.03 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.68 2kr6 h SER 365 Cb 0.42 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2kr6 h SER 365 CO 0.04 0.34 -1.12 0.77 -1.14 0.00 0.00 176.83 175.73 2kr6 h SER 366 N 0.63 0.45 0.82 3.07 4.64 -1.28 -1.57 113.55 120.31 2kr6 h SER 366 Ca 0.32 -0.43 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 2kr6 h SER 366 Cb 0.44 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2kr6 h SER 366 CO -0.11 1.29 -0.57 0.28 -0.87 0.00 0.00 176.83 176.85 2kr6 h SER 367 N 0.13 0.00 0.64 4.97 0.02 0.64 0.27 113.55 120.23 2kr6 h SER 367 Ca -0.11 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.57 2kr6 h SER 367 Cb 1.81 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.31 2kr6 h SER 367 CO 0.19 0.57 -1.46 0.16 -1.14 0.00 0.00 176.83 175.14 2kr6 h ILE 368 N 0.00 1.16 0.00 3.27 3.07 -0.43 -3.39 117.51 121.19 2kr6 h ILE 368 Ca -0.01 -2.94 0.00 0.00 1.55 0.00 0.00 64.86 63.46 2kr6 h ILE 368 Cb 1.13 2.60 0.00 0.00 -0.27 0.00 0.00 36.82 40.28 2kr6 h ILE 368 CO 0.07 0.70 0.00 -0.11 -1.05 0.00 0.00 178.15 177.76 2kr6 n LEU 369 N -3.21 0.26 0.00 0.16 7.94 -0.59 -5.08 117.00 116.48 2kr6 n LEU 369 Ca -0.12 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2kr6 n LEU 369 Cb 1.01 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.89 2kr6 n LEU 369 CO 0.46 -0.57 0.00 0.00 -1.11 0.00 0.00 177.39 176.17 2kr6 n ALA 370 N -2.76 0.00 -0.48 1.96 0.00 0.96 -4.98 120.51 115.21 2kr6 n ALA 370 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kr6 n ALA 370 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kr6 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kr6 n GLY 371 N 0.00 1.00 0.00 0.00 0.00 -1.26 -4.47 105.19 100.47 2kr6 n GLY 371 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2kr6 n GLY 371 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kr6 n GLU 372 N 0.00 1.06 -0.92 1.61 4.07 -1.26 -5.02 120.64 120.18 2kr6 n GLU 372 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 2kr6 n GLU 372 Cb 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.49 2kr6 n GLU 372 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2kr6 n ASP 373 N -1.85 -1.99 -4.73 4.31 5.75 -1.26 -4.95 116.55 111.83 2kr6 n ASP 373 Ca 0.00 0.39 -0.30 0.00 -0.01 0.00 0.00 54.79 54.87 2kr6 n ASP 373 Cb 0.00 -1.20 0.12 0.00 -1.03 0.00 0.00 41.12 39.02 2kr6 n ASP 373 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2kr6 s PRO 374 N -3.38 1.58 -0.00 0.11 0.04 -1.26 -5.00 135.00 127.10 2kr6 s PRO 374 Ca 0.58 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2kr6 s PRO 374 Cb -0.24 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2kr6 s PRO 374 CO 0.66 -2.05 0.09 -1.91 0.04 0.00 0.00 177.00 173.83 2kr6 n GLU 375 N -3.77 3.90 -2.45 4.56 2.13 -1.26 -5.09 120.64 118.66 2kr6 n GLU 375 Ca 0.08 -0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.87 2kr6 n GLU 375 Cb 0.54 -0.78 -0.02 0.00 0.27 0.00 0.00 31.44 31.46 2kr6 n GLU 375 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kr6 n GLU 376 N -1.26 -3.26 -2.66 5.31 2.13 -1.26 -5.04 120.64 114.60 2kr6 n GLU 376 Ca 0.00 2.62 -0.04 0.00 0.66 0.00 0.00 57.16 60.40 2kr6 n GLU 376 Cb 0.05 -4.49 0.03 0.00 0.27 0.00 0.00 31.44 27.30 2kr6 n GLU 376 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2kr6 n ARG 377 N 0.92 0.19 -0.99 5.31 0.63 -1.26 -5.14 116.66 116.32 2kr6 n ARG 377 Ca -0.15 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.05 2kr6 n ARG 377 Cb 0.23 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.07 2kr6 n ARG 377 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kr6 n GLY 378 N -0.17 -3.89 2.82 5.14 0.00 -1.26 -4.97 105.19 102.85 2kr6 n GLY 378 Ca -0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 2kr6 n GLY 378 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kr6 n VAL 379 N -1.32 -9.74 0.00 1.61 0.31 -1.26 -5.03 118.33 102.89 2kr6 n VAL 379 Ca 0.00 1.64 0.00 0.00 -0.01 0.00 0.00 64.34 65.97 2kr6 n VAL 379 Cb 0.09 -5.93 0.00 0.00 -0.91 0.00 0.00 33.84 27.09 2kr6 n VAL 379 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2kr6 n LYS 380 N 1.03 0.00 0.00 5.55 4.81 -1.26 -4.94 118.16 123.35 2kr6 n LYS 380 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2kr6 n LYS 380 Cb 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.18 2kr6 n LYS 380 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2kr6 n LEU 381 N -0.60 0.00 0.00 3.14 -0.00 -1.26 -4.34 117.00 113.94 2kr6 n LEU 381 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kr6 n LEU 381 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kr6 n LEU 381 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2kr6 n GLY 382 N 0.00 1.20 0.56 1.47 0.00 -1.26 -4.23 105.19 102.93 2kr6 n GLY 382 Ca 0.00 0.38 0.37 0.00 0.00 0.00 0.00 46.02 46.77 2kr6 n GLY 382 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kr6 h LEU 383 N 0.00 0.00 0.00 0.99 5.85 -2.00 0.43 115.31 120.58 2kr6 h LEU 383 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2kr6 h LEU 383 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2kr6 h LEU 383 CO 0.00 0.00 -1.61 0.61 -0.34 0.00 0.00 178.44 177.10 2kr6 n GLY 384 N -1.77 -0.31 0.05 3.75 0.00 -1.26 -4.42 105.19 101.22 2kr6 n GLY 384 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2kr6 n GLY 384 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kr6 h ASP 385 N 0.00 0.00 -0.37 1.61 3.58 -1.65 -3.25 116.42 116.34 2kr6 h ASP 385 Ca -0.24 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.27 2kr6 h ASP 385 Cb 1.47 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.44 2kr6 h ASP 385 CO -0.01 0.53 -0.27 0.15 -2.88 0.00 0.00 179.24 176.76 2kr6 h PHE 386 N -1.00 -0.71 -1.01 0.28 3.57 -0.35 0.16 116.94 117.88 2kr6 h PHE 386 Ca -0.00 0.05 0.26 0.00 3.53 0.00 0.00 57.97 61.81 2kr6 h PHE 386 Cb 0.05 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2kr6 h PHE 386 CO -0.01 -0.34 0.67 -0.84 -2.23 0.00 0.00 178.31 175.57 2kr6 h ILE 387 N -0.21 0.55 0.03 1.41 -0.00 -1.67 0.52 117.51 118.14 2kr6 h ILE 387 Ca 0.18 -0.10 -0.00 0.00 -0.00 0.00 0.00 64.86 64.93 2kr6 h ILE 387 Cb 0.49 0.22 0.00 0.00 -0.00 0.00 0.00 36.82 37.54 2kr6 h ILE 387 CO -0.49 0.05 -0.01 0.15 -0.00 0.00 0.00 178.15 177.85 2kr6 h PHE 388 N 0.30 -0.03 -0.33 0.16 3.57 -0.73 -1.54 116.94 118.34 2kr6 h PHE 388 Ca 0.54 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.13 2kr6 h PHE 388 Cb 1.55 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 2kr6 h PHE 388 CO -0.00 -0.02 0.30 1.88 -2.23 0.00 0.00 178.31 178.23 2kr6 h TYR 389 N -0.06 0.00 -0.05 0.41 -1.99 -1.11 0.13 116.97 114.30 2kr6 h TYR 389 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 2kr6 h TYR 389 Cb 0.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 2kr6 h TYR 389 CO 0.13 0.00 -0.66 1.03 -0.00 0.00 0.00 178.16 178.67 2kr6 h SER 390 N 0.00 0.25 -0.07 3.88 0.87 0.03 0.28 113.55 118.78 2kr6 h SER 390 Ca 0.16 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kr6 h SER 390 Cb 0.75 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2kr6 h SER 390 CO -0.00 0.83 -0.10 0.58 -0.53 0.00 0.00 176.83 177.61 2kr6 h VAL 391 N 0.15 1.39 0.15 2.23 2.07 0.33 0.36 116.25 122.93 2kr6 h VAL 391 Ca -0.01 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2kr6 h VAL 391 Cb 1.18 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2kr6 h VAL 391 CO 0.10 0.37 -0.07 0.25 0.02 0.00 0.00 177.57 178.23 2kr6 h LEU 392 N -0.25 -0.17 0.18 2.57 6.46 -1.51 -2.40 115.31 120.19 2kr6 h LEU 392 Ca 0.01 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2kr6 h LEU 392 Cb 0.64 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2kr6 h LEU 392 CO 0.02 0.38 -0.09 0.58 -0.62 0.00 0.00 178.44 178.71 2kr6 h VAL 393 N -0.83 0.92 -0.59 1.05 2.07 -1.06 0.15 116.25 117.95 2kr6 h VAL 393 Ca -0.02 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 66.98 2kr6 h VAL 393 Cb 0.53 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2kr6 h VAL 393 CO 0.03 0.14 0.14 1.23 0.02 0.00 0.00 177.57 179.14 2kr6 h GLY 394 N -0.56 0.76 2.00 2.17 0.00 -0.38 0.97 103.07 108.04 2kr6 h GLY 394 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2kr6 h GLY 394 CO 0.04 -0.09 0.00 0.50 0.00 0.00 0.00 176.54 176.99 2kr6 h LYS 395 N 0.28 0.00 0.50 4.80 1.79 -1.43 -2.37 116.57 120.14 2kr6 h LYS 395 Ca 0.31 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 2kr6 h LYS 395 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2kr6 h LYS 395 CO -0.37 0.00 -0.24 0.00 -1.08 0.00 0.00 179.45 177.76 2kr6 h ALA 396 N 2.42 -0.67 -0.03 3.86 0.00 0.19 -1.15 119.26 123.88 2kr6 h ALA 396 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2kr6 h ALA 396 Cb 0.73 0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kr6 h ALA 396 CO 0.00 -0.66 -0.94 1.03 0.00 0.00 0.00 179.25 178.68 2kr6 h SER 397 N -1.10 0.88 0.74 0.00 0.87 -1.52 -1.17 113.55 112.24 2kr6 h SER 397 Ca -0.07 -0.72 -0.04 0.00 -1.23 0.00 0.00 61.79 59.74 2kr6 h SER 397 Cb 0.57 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kr6 h SER 397 CO 0.11 1.48 -0.35 0.00 -0.53 0.00 0.00 176.83 177.54 2kr6 h ALA 398 N 0.42 -1.19 0.03 6.23 0.00 -1.55 -3.38 119.26 119.82 2kr6 h ALA 398 Ca -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kr6 h ALA 398 Cb 1.59 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kr6 h ALA 398 CO 0.19 -1.12 -0.01 1.15 0.00 0.00 0.00 179.25 179.45 2kr6 h THR 399 N -1.05 0.00 0.00 0.00 2.02 -1.35 -3.50 112.91 109.04 2kr6 h THR 399 Ca -0.10 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2kr6 h THR 399 Cb 0.76 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2kr6 h THR 399 CO 0.17 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.06 2kr6 n ALA 400 N -2.04 0.00 -3.43 6.16 0.00 -0.47 -4.99 120.51 115.74 2kr6 n ALA 400 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 2kr6 n ALA 400 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 2kr6 n ALA 400 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kr6 s SER 401 N 0.00 -0.32 -0.27 0.00 1.04 -1.06 -4.56 113.70 108.54 2kr6 s SER 401 Ca 0.00 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 2kr6 s SER 401 Cb 0.00 1.28 -0.02 0.00 0.10 0.00 0.00 66.02 67.38 2kr6 s SER 401 CO 0.00 -0.07 0.53 -0.83 0.98 0.00 0.00 173.24 173.85 2kr6 s GLY 402 N 1.86 1.84 0.00 7.32 0.00 -1.26 -4.95 107.32 112.12 2kr6 s GLY 402 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2kr6 s GLY 402 CO -0.15 1.27 0.00 1.34 0.00 0.00 0.00 173.10 175.56 2kr6 n ASP 403 N 5.58 -1.45 0.00 1.64 -0.08 -1.26 -4.90 116.55 116.08 2kr6 n ASP 403 Ca -0.04 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2kr6 n ASP 403 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2kr6 n ASP 403 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2kr6 n TRP 404 N -2.49 0.00 -0.27 -0.67 8.01 -1.26 -4.40 117.44 116.36 2kr6 n TRP 404 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2kr6 n TRP 404 Cb 0.00 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 2kr6 n TRP 404 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2kr6 n ASN 405 N -1.90 0.43 0.10 -0.99 5.03 -1.26 -4.58 115.26 112.09 2kr6 n ASN 405 Ca 0.00 -0.79 -0.10 0.00 0.87 0.00 0.00 54.58 54.55 2kr6 n ASN 405 Cb 0.00 0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 38.88 2kr6 n ASN 405 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2kr6 h THR 406 N 0.27 0.00 0.03 3.41 2.02 -1.95 0.25 112.91 116.94 2kr6 h THR 406 Ca 0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 2kr6 h THR 406 Cb 0.14 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 2kr6 h THR 406 CO 0.00 0.00 -1.41 0.74 0.37 0.00 0.00 175.52 175.22 2kr6 h THR 407 N -0.51 1.24 0.21 3.16 2.02 -1.89 -3.17 112.91 113.98 2kr6 h THR 407 Ca -0.01 -2.99 -0.01 0.00 0.77 0.00 0.00 66.41 64.17 2kr6 h THR 407 Cb 0.49 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2kr6 h THR 407 CO -0.14 0.76 -0.10 0.40 0.37 0.00 0.00 175.52 176.81 2kr6 h ILE 408 N 0.02 0.00 -0.72 3.11 1.08 -1.78 -2.61 117.51 116.60 2kr6 h ILE 408 Ca -0.18 -0.10 0.20 0.00 -0.39 0.00 0.00 64.86 64.39 2kr6 h ILE 408 Cb 1.92 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 2kr6 h ILE 408 CO 0.12 0.00 0.51 0.00 -0.69 0.00 0.00 178.15 178.09 2kr6 h ALA 409 N -1.77 2.54 0.86 1.87 0.00 -0.70 0.28 119.26 122.34 2kr6 h ALA 409 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kr6 h ALA 409 Cb 0.21 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kr6 h ALA 409 CO 0.05 -0.75 -0.41 0.00 0.00 0.00 0.00 179.25 178.13 2kr6 h PHE 411 N -1.18 0.38 -0.15 0.00 -1.00 -0.99 -2.80 116.94 111.20 2kr6 h PHE 411 Ca -0.12 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 2kr6 h PHE 411 Cb 0.89 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 2kr6 h PHE 411 CO -0.01 0.77 0.03 0.28 -1.61 0.00 0.00 178.31 177.77 2kr6 h VAL 412 N 0.24 1.22 -0.64 -0.55 2.07 -0.39 0.38 116.25 118.57 2kr6 h VAL 412 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2kr6 h VAL 412 Cb 1.02 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2kr6 h VAL 412 CO 0.09 0.21 0.41 0.00 0.02 0.00 0.00 177.57 178.30 2kr6 h ALA 413 N 0.82 0.82 0.00 1.67 0.00 -0.38 0.20 119.26 122.38 2kr6 h ALA 413 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kr6 h ALA 413 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kr6 h ALA 413 CO 0.00 0.27 -0.53 0.82 0.00 0.00 0.00 179.25 179.81 2kr6 h ILE 414 N 0.87 1.07 0.06 0.00 2.04 -1.42 -2.69 117.51 117.44 2kr6 h ILE 414 Ca 0.23 -2.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 2kr6 h ILE 414 Cb -0.07 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2kr6 h ILE 414 CO -0.05 0.52 -0.03 0.25 0.00 0.00 0.00 178.15 178.84 2kr6 h LEU 415 N 0.00 -0.06 -0.79 1.44 6.46 0.35 -2.64 115.31 120.07 2kr6 h LEU 415 Ca -0.01 -0.58 0.03 0.00 -0.12 0.00 0.00 57.88 57.20 2kr6 h LEU 415 Cb 1.17 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.07 2kr6 h LEU 415 CO 0.07 0.62 0.50 0.16 -0.62 0.00 0.00 178.44 179.17 2kr6 h ILE 416 N -0.83 1.12 0.61 4.05 -0.00 -0.70 0.52 117.51 122.28 2kr6 h ILE 416 Ca -0.01 -0.33 -0.03 0.00 -0.00 0.00 0.00 64.86 64.49 2kr6 h ILE 416 Cb 0.64 0.05 0.01 0.00 -0.00 0.00 0.00 36.82 37.52 2kr6 h ILE 416 CO 0.01 0.18 -0.29 1.23 -0.00 0.00 0.00 178.15 179.28 2kr6 h GLY 417 N 0.98 -0.85 1.95 0.16 0.00 -1.57 -2.62 103.07 101.12 2kr6 h GLY 417 Ca 0.32 0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.89 2kr6 h GLY 417 CO -0.11 -0.31 -0.31 0.17 0.00 0.00 0.00 176.54 175.98 2kr6 h LEU 418 N -0.92 0.06 0.13 3.11 8.10 -1.35 -3.10 115.31 121.34 2kr6 h LEU 418 Ca -0.08 -0.02 0.01 0.00 0.11 0.00 0.00 57.88 57.90 2kr6 h LEU 418 Cb 0.66 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.84 2kr6 h LEU 418 CO 0.14 0.36 -0.23 0.00 -4.11 0.00 0.00 178.44 174.60 2kr6 h LEU 420 N -0.43 -0.55 0.42 0.00 4.07 -1.39 0.68 115.31 118.11 2kr6 h LEU 420 Ca 0.02 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 2kr6 h LEU 420 Cb 0.45 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2kr6 h LEU 420 CO -0.12 -0.20 -0.20 0.71 -1.08 0.00 0.00 178.44 177.56 2kr6 h THR 421 N -0.10 0.00 -1.07 0.22 1.35 -1.51 -2.67 112.91 109.13 2kr6 h THR 421 Ca 0.18 -0.14 0.30 0.00 -0.55 0.00 0.00 66.41 66.20 2kr6 h THR 421 Cb 0.37 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.73 2kr6 h THR 421 CO -0.43 0.00 0.74 -0.07 -0.25 0.00 0.00 175.52 175.51 2kr6 h LEU 422 N -0.70 0.17 0.41 3.87 -0.00 -0.06 -0.48 115.31 118.52 2kr6 h LEU 422 Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2kr6 h LEU 422 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2kr6 h LEU 422 CO 0.09 0.03 -0.19 0.25 -0.00 0.00 0.00 178.44 178.62 2kr6 h LEU 423 N 0.15 -0.46 0.06 1.67 6.46 0.48 0.39 115.31 124.07 2kr6 h LEU 423 Ca 0.54 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.30 2kr6 h LEU 423 Cb 1.86 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.87 2kr6 h LEU 423 CO -0.11 -0.27 -0.26 0.25 -0.62 0.00 0.00 178.44 177.43 2kr6 h LEU 424 N -0.63 -0.77 -0.44 2.25 6.46 -0.74 0.08 115.31 121.52 2kr6 h LEU 424 Ca -0.06 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2kr6 h LEU 424 Cb 0.46 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2kr6 h LEU 424 CO 0.09 -0.34 0.29 0.25 -0.62 0.00 0.00 178.44 178.11 2kr6 h LEU 425 N -0.44 0.51 0.01 2.25 7.12 -1.44 -2.91 115.31 120.41 2kr6 h LEU 425 Ca 0.04 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kr6 h LEU 425 Cb 0.50 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 2kr6 h LEU 425 CO -0.19 0.37 -0.10 0.00 -0.13 0.00 0.00 178.44 178.39 2kr6 h ALA 426 N 1.16 -0.60 0.00 1.25 0.00 0.21 -3.44 119.26 117.84 2kr6 h ALA 426 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kr6 h ALA 426 Cb -0.07 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kr6 h ALA 426 CO -0.03 -0.63 -0.04 1.51 0.00 0.00 0.00 179.25 180.06 2kr6 n ILE 427 N -3.01 0.00 -1.20 0.00 3.06 -0.60 -4.66 119.36 112.94 2kr6 n ILE 427 Ca -0.01 -0.10 -0.07 0.00 -2.50 0.00 0.00 62.75 60.07 2kr6 n ILE 427 Cb 0.07 0.42 -0.03 0.00 0.54 0.00 0.00 39.64 40.64 2kr6 n ILE 427 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 2kr6 n PHE 428 N -0.15 0.00 0.00 9.51 3.72 -0.08 -4.53 117.46 125.92 2kr6 n PHE 428 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2kr6 n PHE 428 Cb 0.48 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.04 2kr6 n PHE 428 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2kr6 n LYS 429 N -1.29 0.00 -3.56 -1.08 5.02 -1.14 -4.85 118.16 111.27 2kr6 n LYS 429 Ca -0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.24 2kr6 n LYS 429 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 2kr6 n LYS 429 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kr6 s LYS 430 N -0.86 0.06 0.00 1.97 -2.85 -1.26 -4.68 119.74 112.12 2kr6 s LYS 430 Ca 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 2kr6 s LYS 430 Cb 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2kr6 s LYS 430 CO 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 175.35 175.44 2kr6 n ALA 431 N 3.40 0.00 -0.91 0.59 0.00 -1.26 -4.28 120.51 118.05 2kr6 n ALA 431 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2kr6 n ALA 431 Cb 0.56 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.10 2kr6 n ALA 431 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kr6 n LEU 432 N 0.00 -1.47 0.00 0.00 4.77 -1.26 -4.55 117.00 114.49 2kr6 n LEU 432 Ca 0.00 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 2kr6 n LEU 432 Cb 0.00 -1.10 0.13 0.00 -2.33 0.00 0.00 43.42 40.12 2kr6 n LEU 432 CO 0.00 -4.14 0.31 -0.81 -1.33 0.00 0.00 177.39 171.42 2kr6 n PRO 433 N -0.55 -2.13 -1.03 3.23 -0.04 -1.26 -4.08 135.00 129.13 2kr6 n PRO 433 Ca 0.05 -0.90 -0.01 0.00 -0.04 0.00 0.00 63.50 62.60 2kr6 n PRO 433 Cb 0.53 -0.85 -0.00 0.00 -0.04 0.00 0.00 33.50 33.14 2kr6 n PRO 433 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kr6 n ALA 434 N -3.97 -0.02 0.00 0.55 0.00 -1.26 -4.81 120.51 111.00 2kr6 n ALA 434 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kr6 n ALA 434 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2kr6 n ALA 434 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kr6 n LEU 435 N -0.11 0.00 0.00 0.00 4.32 -1.26 -5.00 117.00 114.95 2kr6 n LEU 435 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.05 2kr6 n LEU 435 Cb 0.34 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.49 2kr6 n LEU 435 CO 0.02 0.00 0.71 -0.81 -1.22 0.00 0.00 177.39 176.08 2kr6 n PRO 436 N -0.05 0.15 -3.85 3.23 -0.04 -1.26 -4.69 135.00 128.49 2kr6 n PRO 436 Ca 0.00 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 2kr6 n PRO 436 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2kr6 n PRO 436 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kr6 s ILE 437 N -2.69 0.03 0.16 0.52 1.01 -1.26 -4.95 121.20 114.01 2kr6 s ILE 437 Ca 0.12 -0.23 -0.33 0.00 0.00 0.00 0.00 60.65 60.21 2kr6 s ILE 437 Cb 0.10 -0.24 -0.16 0.00 0.01 0.00 0.00 42.46 42.17 2kr6 s ILE 437 CO 0.23 -0.13 1.08 -1.54 0.00 0.00 0.00 174.94 174.59 2kr6 n SER 438 N 2.55 0.91 -4.78 3.58 3.41 -1.26 -4.52 113.62 113.51 2kr6 n SER 438 Ca -0.16 1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 59.25 2kr6 n SER 438 Cb 0.58 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 2kr6 n SER 438 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kr6 s ILE 439 N -0.27 3.34 0.30 -1.33 -1.09 -1.26 -4.83 121.20 116.06 2kr6 s ILE 439 Ca 0.74 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 60.09 2kr6 s ILE 439 Cb -0.91 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2kr6 s ILE 439 CO 0.53 -0.15 0.32 0.42 -1.23 0.00 0.00 174.94 174.83 2kr6 s THR 440 N -1.79 4.15 -0.01 2.92 -4.23 -1.26 -4.92 115.64 110.49 2kr6 s THR 440 Ca 0.70 -1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2kr6 s THR 440 Cb -0.22 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.23 2kr6 s THR 440 CO 0.26 -0.24 0.04 0.49 -0.54 0.00 0.00 174.62 174.63 2kr6 n PHE 441 N -1.39 -3.93 0.03 3.99 3.01 -1.26 -4.23 117.46 113.68 2kr6 n PHE 441 Ca -0.04 2.33 0.22 0.00 1.01 0.00 0.00 57.45 60.97 2kr6 n PHE 441 Cb 0.58 -3.52 0.70 0.00 -0.01 0.00 0.00 39.48 37.24 2kr6 n PHE 441 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2kr6 h GLY 442 N 3.48 0.00 0.00 1.37 0.00 -1.91 -2.26 103.07 103.75 2kr6 h GLY 442 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2kr6 h GLY 442 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2kr6 n LEU 443 N -3.64 0.00 -0.36 3.11 4.77 -1.26 0.28 117.00 119.90 2kr6 n LEU 443 Ca 0.10 0.91 0.10 0.00 -0.03 0.00 0.00 56.01 57.10 2kr6 n LEU 443 Cb 0.78 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 2kr6 n LEU 443 CO 0.27 -0.41 1.21 0.58 -1.33 0.00 0.00 177.39 177.71 2kr6 h VAL 444 N 0.00 0.81 -0.49 4.08 2.07 -1.72 -0.93 116.25 120.07 2kr6 h VAL 444 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2kr6 h VAL 444 Cb 0.00 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 2kr6 h VAL 444 CO 0.00 0.16 0.21 0.15 0.02 0.00 0.00 177.57 178.11 2kr6 h PHE 445 N 0.88 0.73 -0.07 1.57 3.57 -1.39 -0.76 116.94 121.47 2kr6 h PHE 445 Ca 0.54 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 62.03 2kr6 h PHE 445 Cb 0.70 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 2kr6 h PHE 445 CO -0.01 0.60 -0.28 -0.92 -2.23 0.00 0.00 178.31 175.48 2kr6 h TYR 446 N 0.65 -0.75 0.00 0.41 3.20 0.12 0.31 116.97 120.91 2kr6 h TYR 446 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2kr6 h TYR 446 Cb 0.16 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2kr6 h TYR 446 CO -0.00 -0.36 -0.06 0.35 -1.64 0.00 0.00 178.16 176.45 2kr6 h PHE 447 N -0.38 0.00 0.01 -3.82 3.57 -1.40 0.27 116.94 115.18 2kr6 h PHE 447 Ca 0.08 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 2kr6 h PHE 447 Cb 0.50 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.26 2kr6 h PHE 447 CO -0.34 0.06 -0.63 0.00 -2.23 0.00 0.00 178.31 175.16 2kr6 h ALA 448 N 1.94 0.07 0.00 2.41 0.00 0.53 -3.30 119.26 120.91 2kr6 h ALA 448 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2kr6 h ALA 448 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kr6 h ALA 448 CO 0.01 0.36 -0.63 1.79 0.00 0.00 0.00 179.25 180.78 2kr6 h THR 449 N -0.10 0.00 -0.13 0.00 1.35 -0.32 -3.33 112.91 110.37 2kr6 h THR 449 Ca -0.08 -0.61 0.04 0.00 -0.55 0.00 0.00 66.41 65.21 2kr6 h THR 449 Cb 1.35 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2kr6 h THR 449 CO 0.12 0.00 0.50 -0.78 -0.25 0.00 0.00 175.52 175.12 2kr6 h ASP 450 N 0.00 0.00 0.03 5.36 3.58 -0.54 0.45 116.42 125.29 2kr6 h ASP 450 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kr6 h ASP 450 Cb 0.80 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 2kr6 h ASP 450 CO 0.00 0.00 -0.48 1.88 -2.88 0.00 0.00 179.24 177.76 2kr6 h TYR 451 N 0.00 -1.40 0.00 0.28 -1.99 -1.76 -3.41 116.97 108.68 2kr6 h TYR 451 Ca 0.06 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2kr6 h TYR 451 Cb 1.07 0.61 0.00 0.00 2.00 0.00 0.00 36.73 40.41 2kr6 h TYR 451 CO 0.00 -0.52 -0.15 1.47 -0.00 0.00 0.00 178.16 178.96 2kr6 n LEU 452 N -5.14 0.24 0.24 3.88 -0.00 -0.85 -4.92 117.00 110.45 2kr6 n LEU 452 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.79 2kr6 n LEU 452 Cb 0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.70 2kr6 n LEU 452 CO 0.12 -0.16 0.52 0.58 -0.00 0.00 0.00 177.39 178.45 2kr6 h VAL 453 N 0.00 0.00 -5.60 1.47 2.07 -1.53 -3.47 116.25 109.19 2kr6 h VAL 453 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 2kr6 h VAL 453 Cb 0.15 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2kr6 h VAL 453 CO 0.00 0.00 -0.96 0.00 0.02 0.00 0.00 177.57 176.63 2kr6 n GLN 454 N -4.92 -1.38 0.00 1.57 10.64 0.15 -4.94 117.38 118.50 2kr6 n GLN 454 Ca -0.10 1.07 0.00 0.00 -1.83 0.00 0.00 57.00 56.14 2kr6 n GLN 454 Cb 0.38 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 2kr6 n GLN 454 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2kr6 n PRO 455 N 0.00 -0.30 -0.15 2.61 -0.04 -1.26 -4.63 135.00 131.23 2kr6 n PRO 455 Ca -0.06 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.56 2kr6 n PRO 455 Cb 0.53 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 34.52 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2kr6 h PHE 456 N -1.15 0.43 -0.18 0.54 0.04 -1.92 0.15 116.94 114.84 2kr6 h PHE 456 Ca 0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2kr6 h PHE 456 Cb 0.00 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 2kr6 h PHE 456 CO 0.00 0.16 -0.14 1.98 -0.60 0.00 0.00 178.31 179.70 2kr6 h MET 457 N 0.36 0.30 -0.31 1.51 4.05 -1.89 -2.48 114.93 116.46 2kr6 h MET 457 Ca 0.36 -0.08 -0.17 0.00 -0.28 0.00 0.00 59.70 59.54 2kr6 h MET 457 Cb 0.90 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2kr6 h MET 457 CO -0.11 0.45 -0.48 0.22 0.23 0.00 0.00 176.91 177.22 2kr6 h ASP 458 N 0.28 0.93 0.05 1.39 1.82 -0.97 0.20 116.42 120.12 2kr6 h ASP 458 Ca 0.05 -0.47 -0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2kr6 h ASP 458 Cb 0.43 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2kr6 h ASP 458 CO 0.03 1.26 -0.02 -0.61 -1.61 0.00 0.00 179.24 178.28 2kr6 h GLN 459 N 0.67 -0.06 0.00 0.28 -0.00 -1.17 -2.75 115.11 112.08 2kr6 h GLN 459 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2kr6 h GLN 459 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.57 2kr6 h GLN 459 CO 0.11 0.09 0.00 1.25 0.00 0.00 0.00 178.83 180.28 2kr6 h LEU 460 N -0.21 0.00 -0.49 -2.39 7.12 -1.49 -3.28 115.31 114.57 2kr6 h LEU 460 Ca -0.01 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.09 2kr6 h LEU 460 Cb 0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.24 2kr6 h LEU 460 CO 0.01 0.00 0.03 0.00 -0.13 0.00 0.00 178.44 178.35 2kr6 h ALA 461 N 2.25 0.48 -1.66 1.25 0.00 -0.27 -3.47 119.26 117.84 2kr6 h ALA 461 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2kr6 h ALA 461 Cb 0.77 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kr6 h ALA 461 CO 0.00 -0.37 -0.04 0.34 0.00 0.00 0.00 179.25 179.19 2kr6 n PHE 462 N -5.20 -1.92 -3.18 0.00 7.35 -1.23 -4.62 117.46 108.66 2kr6 n PHE 462 Ca 0.05 0.13 -0.21 0.00 -0.76 0.00 0.00 57.45 56.66 2kr6 n PHE 462 Cb 0.26 -0.02 -0.04 0.00 0.35 0.00 0.00 39.48 40.02 2kr6 n PHE 462 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 2kr6 n HIS 463 N -1.74 0.50 -3.55 -5.13 1.44 -1.26 -5.09 115.22 100.40 2kr6 n HIS 463 Ca 0.00 -3.77 -0.11 0.00 -2.01 0.00 0.00 57.72 51.83 2kr6 n HIS 463 Cb 0.05 -0.41 -0.04 0.00 0.12 0.00 0.00 29.99 29.70 2kr6 n HIS 463 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2kr6 s GLN 464 N -2.16 0.72 0.25 -1.40 0.74 -1.26 -5.19 119.66 111.36 2kr6 s GLN 464 Ca 0.39 0.04 -0.21 0.00 0.05 0.00 0.00 55.36 55.63 2kr6 s GLN 464 Cb 0.28 0.34 0.03 0.00 1.10 0.00 0.00 33.01 34.76 2kr6 s GLN 464 CO -0.09 -0.25 0.68 -0.59 -0.55 0.00 0.00 175.29 174.49 2kr6 s PHE 465 N -1.68 -0.21 0.00 1.67 -0.71 -1.26 -5.12 117.98 110.67 2kr6 s PHE 465 Ca -0.01 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.69 2kr6 s PHE 465 Cb -0.01 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.45 2kr6 s PHE 465 CO -0.00 -1.15 0.00 0.98 -1.34 0.00 0.00 175.22 173.71 2kr6 n TYR 466 N -0.44 0.00 0.48 3.49 9.36 -1.26 -5.30 117.16 123.49 2kr6 n TYR 466 Ca -0.06 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.20 2kr6 n TYR 466 Cb 0.60 0.26 0.23 0.00 -0.63 0.00 0.00 39.34 39.80 2kr6 n TYR 466 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59