#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 1.09 -0.20 3.17 -1.51 -2.05 -2.00 116.25 114.75 2kr6 h VAL 293 Ca 0.00 -0.40 -0.15 0.00 -1.23 0.00 0.00 66.70 64.92 2kr6 h VAL 293 Cb 0.00 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 2kr6 h VAL 293 CO 0.00 0.12 -0.50 -0.25 -1.23 0.00 0.00 177.57 175.72 2kr6 h TRP 294 N 0.10 0.66 -0.14 5.19 7.01 -2.05 -0.54 115.95 126.18 2kr6 h TRP 294 Ca 0.02 -0.22 -0.05 0.00 2.11 0.00 0.00 58.89 60.76 2kr6 h TRP 294 Cb 0.18 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2kr6 h TRP 294 CO 0.00 0.93 -0.09 1.25 -2.79 0.00 0.00 178.44 177.73 2kr6 h LEU 295 N 0.42 0.33 -1.01 0.65 5.85 -1.83 -2.26 115.31 117.47 2kr6 h LEU 295 Ca 0.02 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 2kr6 h LEU 295 Cb 1.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2kr6 h LEU 295 CO 0.09 0.70 -0.45 1.62 -0.34 0.00 0.00 178.44 180.06 2kr6 h VAL 296 N -0.03 1.17 -0.02 1.05 3.04 -1.43 -1.87 116.25 118.15 2kr6 h VAL 296 Ca 0.03 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.08 2kr6 h VAL 296 Cb 0.59 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2kr6 h VAL 296 CO 0.03 0.44 -0.01 0.78 -1.01 0.00 0.00 177.57 177.80 2kr6 h ASN 297 N 0.00 0.05 -0.42 3.17 4.21 -1.01 -2.56 115.58 119.01 2kr6 h ASN 297 Ca -0.00 -0.39 -0.09 0.00 1.21 0.00 0.00 56.30 57.02 2kr6 h ASN 297 Cb 0.88 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 2kr6 h ASN 297 CO 0.06 0.43 -0.10 0.24 -1.29 0.00 0.00 177.43 176.76 2kr6 h MET 298 N -0.33 0.82 -0.33 0.81 2.86 -1.39 -1.61 114.93 115.75 2kr6 h MET 298 Ca 0.01 -0.31 0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2kr6 h MET 298 Cb 0.41 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 2kr6 h MET 298 CO 0.00 0.94 -0.10 0.00 1.06 0.00 0.00 176.91 178.81 2kr6 h ALA 299 N 0.85 0.19 0.00 6.32 0.00 -1.36 0.29 119.26 125.56 2kr6 h ALA 299 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2kr6 h ALA 299 Cb 0.64 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kr6 h ALA 299 CO 0.04 -0.48 0.00 1.49 0.00 0.00 0.00 179.25 180.30 2kr6 h GLU 300 N -0.03 0.00 0.00 0.00 4.81 -1.42 -3.45 114.58 114.49 2kr6 h GLU 300 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2kr6 h GLU 300 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kr6 h GLU 300 CO -0.35 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.34 2kr6 n GLY 301 N 0.55 -2.33 2.91 1.92 0.00 0.09 -4.99 105.19 103.34 2kr6 n GLY 301 Ca 0.03 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 2kr6 n GLY 301 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kr6 n ASP 302 N -1.73 3.77 -4.55 1.61 5.68 -1.26 -5.02 116.55 115.04 2kr6 n ASP 302 Ca 0.00 -3.23 -0.36 0.00 -0.50 0.00 0.00 54.79 50.70 2kr6 n ASP 302 Cb 0.00 -0.88 -0.03 0.00 -1.14 0.00 0.00 41.12 39.07 2kr6 n ASP 302 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2kr6 s PRO 303 N -1.68 2.61 -0.19 0.11 0.04 -1.26 -4.77 135.00 129.86 2kr6 s PRO 303 Ca 0.29 0.43 0.08 0.00 0.04 0.00 0.00 61.00 61.83 2kr6 s PRO 303 Cb -0.02 -4.53 -0.22 0.00 0.04 0.00 0.00 34.50 29.78 2kr6 s PRO 303 CO -0.12 -2.87 0.09 0.39 0.04 0.00 0.00 177.00 174.54 2kr6 n GLU 304 N 9.12 0.68 -3.15 4.56 4.71 -1.26 -4.95 120.64 130.35 2kr6 n GLU 304 Ca 0.24 0.13 0.05 0.00 -0.01 0.00 0.00 57.16 57.58 2kr6 n GLU 304 Cb 0.51 -1.59 -0.01 0.00 -1.01 0.00 0.00 31.44 29.35 2kr6 n GLU 304 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kr6 s ALA 305 N -2.53 -3.75 0.26 0.62 0.00 -1.26 -5.07 121.76 110.03 2kr6 s ALA 305 Ca -0.20 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2kr6 s ALA 305 Cb 0.07 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2kr6 s ALA 305 CO 0.74 -1.82 0.00 1.04 0.00 0.00 0.00 175.76 175.72 2kr6 n GLN 306 N 5.28 0.00 -1.45 0.00 1.13 -1.26 -5.17 117.38 115.90 2kr6 n GLN 306 Ca 0.02 0.00 0.20 0.00 -1.94 0.00 0.00 57.00 55.28 2kr6 n GLN 306 Cb 0.56 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.86 2kr6 n GLN 306 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2kr6 n ARG 307 N -3.09 -2.97 -0.87 -1.09 0.63 -1.26 -4.72 116.66 103.29 2kr6 n ARG 307 Ca 0.00 2.01 0.04 0.00 -0.92 0.00 0.00 57.85 58.98 2kr6 n ARG 307 Cb 0.00 -3.60 0.07 0.00 0.45 0.00 0.00 32.46 29.38 2kr6 n ARG 307 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2kr6 n ARG 308 N -4.27 0.53 -0.05 -0.14 0.00 -1.26 -4.78 116.66 106.69 2kr6 n ARG 308 Ca 0.00 -2.13 -0.09 0.00 -0.00 0.00 0.00 57.85 55.63 2kr6 n ARG 308 Cb 0.66 -0.68 -0.15 0.00 -0.00 0.00 0.00 32.46 32.30 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 -0.24 1.54 -0.59 8.89 3.14 -1.26 -4.13 118.33 125.69 2kr6 n VAL 309 Ca 0.09 -0.81 0.09 0.00 -2.96 0.00 0.00 64.34 60.74 2kr6 n VAL 309 Cb 0.87 -0.87 0.31 0.00 -1.06 0.00 0.00 33.84 33.09 2kr6 n VAL 309 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kr6 n SER 310 N -2.96 4.31 -0.05 6.55 2.88 -1.26 -4.27 113.62 118.82 2kr6 n SER 310 Ca -0.22 -2.42 -0.04 0.00 -1.33 0.00 0.00 58.87 54.86 2kr6 n SER 310 Cb 1.08 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.89 2kr6 n SER 310 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kr6 n LYS 311 N 0.84 0.67 -3.19 -1.46 4.81 -1.26 -5.04 118.16 113.54 2kr6 n LYS 311 Ca 0.23 0.03 -0.07 0.00 -0.87 0.00 0.00 58.31 57.63 2kr6 n LYS 311 Cb 0.80 -1.60 0.02 0.00 0.02 0.00 0.00 35.03 34.27 2kr6 n LYS 311 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kr6 n ASN 312 N -2.71 -7.21 -0.55 3.14 5.15 -1.26 -4.95 115.26 106.86 2kr6 n ASN 312 Ca -0.21 -0.33 0.07 0.00 -0.60 0.00 0.00 54.58 53.50 2kr6 n ASN 312 Cb 0.98 -4.96 0.17 0.00 -0.53 0.00 0.00 39.78 35.44 2kr6 n ASN 312 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kr6 n SER 313 N -2.23 1.75 -0.10 1.20 7.64 -1.26 -4.72 113.62 115.90 2kr6 n SER 313 Ca -0.04 -3.51 -0.19 0.00 1.01 0.00 0.00 58.87 56.14 2kr6 n SER 313 Cb 0.55 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 2kr6 n SER 313 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kr6 n LYS 314 N -1.02 0.45 -1.35 1.43 4.81 -1.26 -5.12 118.16 116.09 2kr6 n LYS 314 Ca 0.17 0.17 0.17 0.00 -0.87 0.00 0.00 58.31 57.95 2kr6 n LYS 314 Cb 0.72 -1.27 -0.07 0.00 0.02 0.00 0.00 35.03 34.43 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 -3.66 -3.52 -3.15 5.64 4.01 -1.26 -5.00 117.16 110.22 2kr6 n TYR 315 Ca -0.38 1.86 0.05 0.00 -0.16 0.00 0.00 57.90 59.26 2kr6 n TYR 315 Cb 0.81 -3.20 -0.01 0.00 -0.31 0.00 0.00 39.34 36.63 2kr6 n TYR 315 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2kr6 s ASN 316 N -7.09 -0.73 -0.61 7.72 -0.87 -1.26 -5.12 114.94 106.99 2kr6 s ASN 316 Ca 0.00 0.31 -0.18 0.00 -1.57 0.00 0.00 52.86 51.42 2kr6 s ASN 316 Cb 0.00 1.55 0.12 0.00 -0.02 0.00 0.00 41.25 42.90 2kr6 s ASN 316 CO 0.00 -0.13 0.68 0.00 -2.57 0.00 0.00 177.10 175.08 2kr6 s ALA 317 N 2.93 3.51 -0.04 0.60 0.00 -1.26 -5.03 121.76 122.46 2kr6 s ALA 317 Ca 0.11 -2.39 0.07 0.00 0.00 0.00 0.00 51.96 49.74 2kr6 s ALA 317 Cb -0.09 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2kr6 s ALA 317 CO -0.17 -2.30 -0.25 -2.00 0.00 0.00 0.00 175.76 171.04 2kr6 s GLU 318 N 2.29 2.37 -0.15 0.00 2.12 -1.26 -5.12 118.70 118.94 2kr6 s GLU 318 Ca 0.11 -0.90 -0.09 0.00 0.36 0.00 0.00 54.97 54.45 2kr6 s GLU 318 Cb -0.24 -2.09 0.05 0.00 0.26 0.00 0.00 34.13 32.11 2kr6 s GLU 318 CO 0.04 0.44 0.37 -1.54 -0.54 0.00 0.00 175.26 174.03 2kr6 s SER 319 N -0.31 -0.45 -0.28 -1.70 1.04 -1.26 -5.16 113.70 105.58 2kr6 s SER 319 Ca 0.01 0.81 -0.23 0.00 0.48 0.00 0.00 55.95 57.01 2kr6 s SER 319 Cb -0.12 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2kr6 s SER 319 CO 0.02 -0.18 1.00 0.42 0.98 0.00 0.00 173.24 175.48 2kr6 s THR 320 N 1.27 0.00 0.31 2.02 -4.23 -1.26 -5.19 115.64 108.57 2kr6 s THR 320 Ca -0.09 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2kr6 s THR 320 Cb -0.08 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.76 2kr6 s THR 320 CO -0.11 0.00 0.50 -1.83 -0.54 0.00 0.00 174.62 172.65 2kr6 s GLU 321 N 0.45 1.82 -0.03 3.99 1.03 -1.26 -5.18 118.70 119.52 2kr6 s GLU 321 Ca 0.01 -1.56 -0.18 0.00 0.03 0.00 0.00 54.97 53.28 2kr6 s GLU 321 Cb -0.05 0.47 0.03 0.00 -0.80 0.00 0.00 34.13 33.78 2kr6 s GLU 321 CO -0.08 -0.77 0.38 0.50 -1.33 0.00 0.00 175.26 173.97 2kr6 s ARG 322 N -3.30 0.73 -0.28 -4.83 3.52 -1.26 -5.17 118.95 108.36 2kr6 s ARG 322 Ca 0.26 -0.07 -0.19 0.00 -0.13 0.00 0.00 55.73 55.60 2kr6 s ARG 322 Cb -0.01 0.33 0.12 0.00 -1.56 0.00 0.00 34.95 33.84 2kr6 s ARG 322 CO 0.15 -0.20 0.94 -2.00 -0.81 0.00 0.00 175.30 173.38 2kr6 s GLU 323 N -1.23 0.50 -0.23 5.12 -6.30 -1.26 -5.18 118.70 110.12 2kr6 s GLU 323 Ca -0.12 0.75 -0.32 0.00 -2.50 0.00 0.00 54.97 52.77 2kr6 s GLU 323 Cb -0.04 0.16 0.16 0.00 0.00 0.00 0.00 34.13 34.41 2kr6 s GLU 323 CO 0.05 -0.09 1.24 -1.12 0.02 0.00 0.00 175.26 175.36 2kr6 s SER 324 N 0.98 -0.14 -0.29 -1.70 0.01 -1.26 -5.18 113.70 106.12 2kr6 s SER 324 Ca -0.05 0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.04 2kr6 s SER 324 Cb -0.04 0.12 0.19 0.00 0.21 0.00 0.00 66.02 66.50 2kr6 s SER 324 CO -0.12 -0.16 1.40 -1.58 0.41 0.00 0.00 173.24 173.19 2kr6 s GLN 325 N -1.54 0.06 -0.30 12.44 2.00 -1.26 -5.18 119.66 125.89 2kr6 s GLN 325 Ca 0.07 0.04 -0.25 0.00 -2.00 0.00 0.00 55.36 53.23 2kr6 s GLN 325 Cb -0.01 0.03 0.19 0.00 0.80 0.00 0.00 33.01 34.02 2kr6 s GLN 325 CO -0.05 -0.01 1.43 0.34 -0.50 0.00 0.00 175.29 176.50 2kr6 s ASP 326 N -0.48 -0.06 -0.04 6.67 -1.08 -1.26 -5.19 116.67 115.24 2kr6 s ASP 326 Ca 0.08 0.11 -0.29 0.00 -0.52 0.00 0.00 52.55 51.93 2kr6 s ASP 326 Cb -0.03 0.16 0.10 0.00 -1.46 0.00 0.00 42.92 41.69 2kr6 s ASP 326 CO -0.12 -0.02 0.86 0.28 0.52 0.00 0.00 175.17 176.69 2kr6 s THR 327 N 0.08 0.00 -0.21 1.71 -1.32 -1.26 -5.18 115.64 109.46 2kr6 s THR 327 Ca 0.07 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 2kr6 s THR 327 Cb -0.05 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.08 2kr6 s THR 327 CO -0.15 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 173.89 2kr6 s VAL 328 N -2.27 0.00 0.36 5.08 0.11 -1.26 -5.19 120.40 117.23 2kr6 s VAL 328 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2kr6 s VAL 328 Cb -0.01 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2kr6 s VAL 328 CO -0.03 0.00 0.72 0.00 -3.33 0.00 0.00 175.10 172.46 2kr6 s ALA 329 N -0.84 -0.62 -0.06 1.54 0.00 -1.26 -5.19 121.76 115.32 2kr6 s ALA 329 Ca 0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2kr6 s ALA 329 Cb -0.01 0.78 0.12 0.00 0.00 0.00 0.00 23.12 24.01 2kr6 s ALA 329 CO -0.02 -0.97 1.36 -1.21 0.00 0.00 0.00 175.76 174.92 2kr6 s GLU 330 N -2.77 0.17 -0.30 0.00 2.02 -1.26 -5.17 118.70 111.40 2kr6 s GLU 330 Ca 0.17 -0.11 -0.18 0.00 0.02 0.00 0.00 54.97 54.87 2kr6 s GLU 330 Cb -0.04 0.05 0.19 0.00 0.10 0.00 0.00 34.13 34.42 2kr6 s GLU 330 CO 0.12 -0.08 1.19 1.21 0.02 0.00 0.00 175.26 177.72 2kr6 s ASN 331 N -3.47 -0.23 -0.30 -0.19 3.84 -1.26 -5.16 114.94 108.17 2kr6 s ASN 331 Ca 0.23 0.31 -0.17 0.00 0.21 0.00 0.00 52.86 53.44 2kr6 s ASN 331 Cb 0.03 1.26 0.18 0.00 -0.55 0.00 0.00 41.25 42.17 2kr6 s ASN 331 CO -0.04 -0.04 1.14 -0.62 -2.79 0.00 0.00 177.10 174.74 2kr6 s ASP 332 N 2.22 -0.32 0.23 -4.21 -1.08 -1.26 -5.09 116.67 107.17 2kr6 s ASP 332 Ca -0.01 0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 2kr6 s ASP 332 Cb -0.03 1.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 2kr6 s ASP 332 CO -0.16 -0.06 0.00 0.47 0.52 0.00 0.00 175.17 175.94 2kr6 n ASP 333 N 4.88 -0.46 0.00 -0.34 8.00 -1.26 -5.15 116.55 122.21 2kr6 n ASP 333 Ca -0.08 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2kr6 n ASP 333 Cb 0.54 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 2kr6 n ASP 333 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kr6 n GLY 334 N 1.19 0.93 0.00 0.44 0.00 -1.26 -5.08 105.19 101.41 2kr6 n GLY 334 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 2.93 3.58 -0.02 0.00 -1.26 -5.16 105.19 105.26 2kr6 n GLY 335 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2kr6 n GLY 335 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kr6 s PHE 336 N -1.64 -0.30 -0.08 1.61 5.36 -1.26 -5.19 117.98 116.48 2kr6 s PHE 336 Ca 0.00 0.49 -0.32 0.00 -0.96 0.00 0.00 56.93 56.13 2kr6 s PHE 336 Cb 0.00 0.47 0.14 0.00 -0.34 0.00 0.00 43.02 43.29 2kr6 s PHE 336 CO 0.00 -0.30 1.41 -1.12 -1.46 0.00 0.00 175.22 173.75 2kr6 s SER 337 N -1.23 -0.01 0.04 6.13 0.01 -1.26 -5.20 113.70 112.18 2kr6 s SER 337 Ca 0.01 -0.03 -0.28 0.00 1.31 0.00 0.00 55.95 56.96 2kr6 s SER 337 Cb -0.01 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.36 2kr6 s SER 337 CO -0.01 -0.07 1.21 -1.83 0.41 0.00 0.00 173.24 172.95 2kr6 s GLU 338 N -2.09 0.64 0.05 12.44 -1.05 -1.26 -5.19 118.70 122.24 2kr6 s GLU 338 Ca 0.16 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2kr6 s GLU 338 Cb 0.07 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2kr6 s GLU 338 CO -0.06 -0.30 0.02 -1.91 0.95 0.00 0.00 175.26 173.96 2kr6 n GLU 339 N -0.68 1.58 -3.72 -4.83 2.13 -1.26 -5.16 120.64 108.70 2kr6 n GLU 339 Ca -0.03 -0.30 -0.13 0.00 0.66 0.00 0.00 57.16 57.35 2kr6 n GLU 339 Cb 0.60 0.05 -0.09 0.00 0.27 0.00 0.00 31.44 32.27 2kr6 n GLU 339 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 2kr6 s TRP 340 N -0.52 -0.46 -0.05 4.31 -2.14 -1.26 -5.17 118.94 113.65 2kr6 s TRP 340 Ca 0.02 1.09 -0.31 0.00 2.66 0.00 0.00 56.10 59.55 2kr6 s TRP 340 Cb -0.00 0.17 0.13 0.00 -3.10 0.00 0.00 33.47 30.67 2kr6 s TRP 340 CO 0.01 -0.27 1.32 -1.83 -2.66 0.00 0.00 176.95 173.53 2kr6 s GLU 341 N 0.01 0.29 -0.56 3.25 -1.05 -1.26 -5.09 118.70 114.29 2kr6 s GLU 341 Ca -0.02 -0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.34 2kr6 s GLU 341 Cb -0.03 0.10 -0.12 0.00 -0.44 0.00 0.00 34.13 33.64 2kr6 s GLU 341 CO 0.01 -0.13 2.40 0.00 0.95 0.00 0.00 175.26 178.49 2kr6 n ALA 342 N -0.46 0.80 0.02 -0.84 0.00 -1.26 -4.82 120.51 113.95 2kr6 n ALA 342 Ca -0.08 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 2kr6 n ALA 342 Cb 0.63 -2.73 -0.09 0.00 0.00 0.00 0.00 19.45 17.25 2kr6 n ALA 342 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2kr6 h GLN 343 N 15.02 -0.09 -6.39 0.00 4.15 -2.04 -3.40 115.11 122.37 2kr6 h GLN 343 Ca -0.21 0.01 -0.55 0.00 0.77 0.00 0.00 58.65 58.67 2kr6 h GLN 343 Cb 1.30 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.93 2kr6 h GLN 343 CO 1.16 0.35 1.03 0.50 -1.93 0.00 0.00 178.83 179.94 2kr6 s ARG 344 N -4.27 3.26 0.95 1.69 6.06 -1.26 -5.00 118.95 120.38 2kr6 s ARG 344 Ca -0.15 -0.14 -0.12 0.00 -2.50 0.00 0.00 55.73 52.82 2kr6 s ARG 344 Cb 0.02 -4.14 0.07 0.00 0.06 0.00 0.00 34.95 30.96 2kr6 s ARG 344 CO 0.63 -2.03 0.60 -0.25 -2.50 0.00 0.00 175.30 171.75 2kr6 n ASP 345 N 9.12 -1.44 -3.36 -2.12 9.92 -1.26 -3.80 116.55 123.61 2kr6 n ASP 345 Ca 0.04 0.34 -0.19 0.00 -0.53 0.00 0.00 54.79 54.45 2kr6 n ASP 345 Cb 0.49 -1.28 0.06 0.00 -0.64 0.00 0.00 41.12 39.76 2kr6 n ASP 345 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kr6 n SER 346 N -2.16 -6.32 0.04 -2.24 2.88 -1.26 -4.89 113.62 99.67 2kr6 n SER 346 Ca 0.08 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 2kr6 n SER 346 Cb 0.53 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2kr6 n SER 346 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kr6 n HIS 347 N -3.47 -2.10 0.03 0.66 -0.00 -1.25 -4.93 115.22 104.16 2kr6 n HIS 347 Ca -0.08 0.22 -0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2kr6 n HIS 347 Cb 0.61 0.94 -0.12 0.00 -0.00 0.00 0.00 29.99 31.41 2kr6 n HIS 347 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kr6 h LEU 348 N 0.00 0.00 -8.93 0.27 7.12 -1.81 -3.41 115.31 108.55 2kr6 h LEU 348 Ca 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 57.88 57.62 2kr6 h LEU 348 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 39.99 2kr6 h LEU 348 CO 0.00 0.99 -0.66 -0.83 -0.13 0.00 0.00 178.44 177.81 2kr6 s GLY 349 N -4.85 1.61 0.83 3.75 0.00 -1.26 -4.83 107.32 102.56 2kr6 s GLY 349 Ca -0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.81 2kr6 s GLY 349 CO 0.82 -1.69 1.09 2.56 0.00 0.00 0.00 173.10 175.88 2kr6 s PRO 350 N -3.85 1.82 0.34 2.90 0.04 -1.26 -4.55 135.00 130.45 2kr6 s PRO 350 Ca 0.29 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.43 2kr6 s PRO 350 Cb 0.06 -1.86 0.80 0.00 0.04 0.00 0.00 34.50 33.53 2kr6 s PRO 350 CO 0.09 -1.90 1.85 0.45 0.04 0.00 0.00 177.00 177.53 2kr6 h HIS 351 N -1.31 0.87 -0.67 0.56 3.86 -2.01 -3.42 115.15 113.02 2kr6 h HIS 351 Ca -0.46 0.03 -0.52 0.00 -1.16 0.00 0.00 60.37 58.26 2kr6 h HIS 351 Cb 1.25 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 29.46 2kr6 h HIS 351 CO 0.51 0.30 -0.13 1.03 0.86 0.00 0.00 177.93 180.50 2kr6 s ARG 352 N -5.71 2.25 -0.13 2.45 0.52 -1.26 -5.09 118.95 111.97 2kr6 s ARG 352 Ca -0.10 -1.77 -0.00 0.00 -0.52 0.00 0.00 55.73 53.34 2kr6 s ARG 352 Cb 0.22 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 33.21 2kr6 s ARG 352 CO 0.79 -0.86 -0.07 0.45 0.02 0.00 0.00 175.30 175.63 2kr6 s SER 353 N -4.61 2.45 0.26 0.23 0.15 -1.26 -5.08 113.70 105.85 2kr6 s SER 353 Ca 0.56 -0.44 0.10 0.00 0.70 0.00 0.00 55.95 56.86 2kr6 s SER 353 Cb -0.05 -0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2kr6 s SER 353 CO 0.35 -0.14 -0.04 0.42 1.20 0.00 0.00 173.24 175.03 2kr6 s THR 354 N 1.66 3.27 -0.24 6.45 -4.23 -1.26 -5.08 115.64 116.21 2kr6 s THR 354 Ca 0.04 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 2kr6 s THR 354 Cb -0.13 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2kr6 s THR 354 CO -0.08 -0.37 1.62 -2.16 -0.54 0.00 0.00 174.62 173.10 2kr6 s PRO 355 N -3.60 3.73 0.24 3.99 0.04 -1.26 -4.89 135.00 133.25 2kr6 s PRO 355 Ca 0.31 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.98 2kr6 s PRO 355 Cb -0.06 -4.05 0.25 0.00 0.04 0.00 0.00 34.50 30.67 2kr6 s PRO 355 CO 0.19 -1.38 1.56 0.93 0.04 0.00 0.00 177.00 178.34 2kr6 h GLU 356 N 10.98 0.23 0.30 4.56 5.08 -1.98 -1.70 114.58 132.04 2kr6 h GLU 356 Ca -0.33 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2kr6 h GLU 356 Cb 1.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kr6 h GLU 356 CO 1.01 0.77 -0.23 0.77 -1.00 0.00 0.00 179.01 180.33 2kr6 h SER 357 N 0.17 -0.60 0.46 1.42 0.02 -2.00 0.18 113.55 113.19 2kr6 h SER 357 Ca -0.01 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 2kr6 h SER 357 Cb 1.12 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 2kr6 h SER 357 CO 0.09 -0.35 -0.61 -0.09 -1.14 0.00 0.00 176.83 174.74 2kr6 h ARG 358 N -0.53 0.15 -0.12 3.45 2.43 -1.98 -2.93 114.38 114.84 2kr6 h ARG 358 Ca -0.02 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2kr6 h ARG 358 Cb 0.47 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kr6 h ARG 358 CO -0.01 0.71 0.03 0.00 -1.51 0.00 0.00 179.97 179.19 2kr6 h ALA 359 N 1.27 0.16 -0.67 2.80 0.00 -1.00 0.11 119.26 121.93 2kr6 h ALA 359 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kr6 h ALA 359 Cb 1.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2kr6 h ALA 359 CO 0.09 -0.22 0.35 0.00 0.00 0.00 0.00 179.25 179.47 2kr6 h ALA 360 N 0.84 1.37 0.23 0.00 0.00 -0.66 0.24 119.26 121.28 2kr6 h ALA 360 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kr6 h ALA 360 Cb 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kr6 h ALA 360 CO -0.00 0.51 -0.11 0.28 0.00 0.00 0.00 179.25 179.93 2kr6 h VAL 361 N 0.93 0.67 0.36 0.00 2.07 -1.34 -2.08 116.25 116.87 2kr6 h VAL 361 Ca 0.24 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2kr6 h VAL 361 Cb 0.04 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2kr6 h VAL 361 CO -0.04 0.16 -0.19 -0.61 0.02 0.00 0.00 177.57 176.92 2kr6 h GLN 362 N -0.89 -0.49 -0.65 1.57 5.75 -0.71 -2.31 115.11 117.38 2kr6 h GLN 362 Ca -0.03 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 2kr6 h GLN 362 Cb 0.50 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2kr6 h GLN 362 CO 0.05 -0.33 0.44 1.49 -2.65 0.00 0.00 178.83 177.83 2kr6 h GLU 363 N -0.51 0.38 0.59 1.69 4.22 -0.64 -2.02 114.58 118.29 2kr6 h GLU 363 Ca -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 2kr6 h GLU 363 Cb 0.40 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2kr6 h GLU 363 CO 0.07 0.25 -0.28 -0.07 -2.18 0.00 0.00 179.01 176.80 2kr6 h LEU 364 N 0.39 -0.67 -1.72 1.64 3.38 -0.85 -0.69 115.31 116.79 2kr6 h LEU 364 Ca 0.31 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.36 2kr6 h LEU 364 Cb 0.67 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2kr6 h LEU 364 CO -0.09 -0.41 0.37 0.77 0.09 0.00 0.00 178.44 179.18 2kr6 h SER 365 N -0.90 0.28 0.26 -0.43 4.64 -0.93 -0.67 113.55 115.80 2kr6 h SER 365 Ca -0.08 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2kr6 h SER 365 Cb 0.65 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2kr6 h SER 365 CO 0.13 0.17 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.86 2kr6 h SER 366 N 0.32 -0.29 0.12 4.97 0.87 -1.11 0.23 113.55 118.66 2kr6 h SER 366 Ca 0.25 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2kr6 h SER 366 Cb 0.58 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2kr6 h SER 366 CO -0.06 0.13 -0.02 0.28 -0.53 0.00 0.00 176.83 176.63 2kr6 h SER 367 N -0.78 0.00 0.13 6.23 0.02 -0.65 0.37 113.55 118.87 2kr6 h SER 367 Ca -0.04 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.61 2kr6 h SER 367 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kr6 h SER 367 CO 0.06 0.02 -1.56 0.40 -1.14 0.00 0.00 176.83 174.61 2kr6 h ILE 368 N 0.00 0.96 -0.39 3.27 2.04 -1.02 -3.34 117.51 119.04 2kr6 h ILE 368 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2kr6 h ILE 368 Cb 0.08 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2kr6 h ILE 368 CO 0.00 0.76 0.00 0.18 0.00 0.00 0.00 178.15 179.09 2kr6 n LEU 369 N -3.81 2.87 -2.70 1.44 7.99 0.81 -4.96 117.00 118.64 2kr6 n LEU 369 Ca -0.26 -1.45 -0.05 0.00 -0.01 0.00 0.00 56.01 54.25 2kr6 n LEU 369 Cb 0.95 -0.42 0.01 0.00 -0.11 0.00 0.00 43.42 43.85 2kr6 n LEU 369 CO 0.43 0.53 -0.12 0.00 -1.51 0.00 0.00 177.39 176.72 2kr6 n ALA 370 N 0.59 -3.17 -2.38 -1.18 0.00 0.90 -4.99 120.51 110.27 2kr6 n ALA 370 Ca 0.15 0.88 -0.23 0.00 0.00 0.00 0.00 53.44 54.25 2kr6 n ALA 370 Cb 0.54 -2.65 -0.08 0.00 0.00 0.00 0.00 19.45 17.26 2kr6 n ALA 370 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kr6 s GLY 371 N -2.16 2.55 -0.29 0.00 0.00 0.91 -4.97 107.32 103.36 2kr6 s GLY 371 Ca 0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 2kr6 s GLY 371 CO 0.72 -1.62 0.55 -1.83 0.00 0.00 0.00 173.10 170.92 2kr6 s GLU 372 N -3.49 0.52 0.28 2.90 -1.05 -1.26 -4.69 118.70 111.91 2kr6 s GLU 372 Ca 0.33 0.91 0.10 0.00 -0.15 0.00 0.00 54.97 56.16 2kr6 s GLU 372 Cb 0.02 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 2kr6 s GLU 372 CO 0.23 -0.63 -0.04 -0.51 0.95 0.00 0.00 175.26 175.27 2kr6 s ASP 373 N 2.79 4.32 -1.13 0.83 1.11 -1.26 -5.03 116.67 118.31 2kr6 s ASP 373 Ca 0.19 -0.76 -0.23 0.00 0.18 0.00 0.00 52.55 51.94 2kr6 s ASP 373 Cb -0.15 -0.70 -0.10 0.00 1.07 0.00 0.00 42.92 43.04 2kr6 s ASP 373 CO -0.20 -0.02 1.93 -0.81 1.18 0.00 0.00 175.17 177.25 2kr6 n PRO 374 N -0.86 1.57 -0.00 8.23 -0.04 -1.26 -4.40 135.00 138.24 2kr6 n PRO 374 Ca -0.06 -2.38 0.02 0.00 -0.04 0.00 0.00 63.50 61.05 2kr6 n PRO 374 Cb 0.60 -3.62 -0.04 0.00 -0.04 0.00 0.00 33.50 30.40 2kr6 n PRO 374 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kr6 n GLU 375 N 8.10 0.17 -2.33 0.54 -0.58 -1.26 -5.01 120.64 120.27 2kr6 n GLU 375 Ca 0.46 -0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.98 2kr6 n GLU 375 Cb 0.46 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 30.21 2kr6 n GLU 375 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kr6 n GLU 376 N -1.67 -1.39 -0.00 3.49 -0.58 -1.26 -4.85 120.64 114.38 2kr6 n GLU 376 Ca -0.01 0.84 -0.01 0.00 -0.42 0.00 0.00 57.16 57.56 2kr6 n GLU 376 Cb 0.13 -5.30 -0.01 0.00 -0.57 0.00 0.00 31.44 25.69 2kr6 n GLU 376 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2kr6 n ARG 377 N -2.66 1.26 0.00 3.49 3.00 -1.26 -5.10 116.66 115.39 2kr6 n ARG 377 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.64 2kr6 n ARG 377 Cb 0.66 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 32.10 2kr6 n ARG 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kr6 n GLY 378 N 3.29 1.50 3.72 -0.13 0.00 -1.26 -4.78 105.19 107.53 2kr6 n GLY 378 Ca -0.02 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 2kr6 n GLY 378 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kr6 n VAL 379 N 0.00 -2.30 0.00 1.61 0.24 -1.26 -4.90 118.33 111.71 2kr6 n VAL 379 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2kr6 n VAL 379 Cb 0.00 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.35 2kr6 n VAL 379 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2kr6 n LYS 380 N -2.98 0.00 0.00 7.34 4.81 -1.26 -4.89 118.16 121.17 2kr6 n LYS 380 Ca -0.19 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2kr6 n LYS 380 Cb 0.50 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2kr6 n LYS 380 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kr6 n LEU 381 N -0.58 0.00 0.00 3.14 0.00 -1.26 -4.51 117.00 113.79 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 -0.14 3.22 0.54 -3.96 0.00 -1.26 -3.93 105.19 99.65 2kr6 n GLY 382 Ca 0.00 -0.26 0.34 0.00 0.00 0.00 0.00 46.02 46.11 2kr6 n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kr6 h LEU 383 N 0.00 0.00 0.00 0.99 4.07 -1.98 0.41 115.31 118.80 2kr6 h LEU 383 Ca 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.72 2kr6 h LEU 383 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 2kr6 h LEU 383 CO 0.00 0.00 -1.91 0.61 -1.08 0.00 0.00 178.44 176.06 2kr6 n GLY 384 N -1.74 -0.37 0.06 0.83 0.00 -1.26 -4.29 105.19 98.43 2kr6 n GLY 384 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.06 -0.36 1.61 3.58 -1.57 -3.17 116.42 116.45 2kr6 h ASP 385 Ca -0.36 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.17 2kr6 h ASP 385 Cb 1.64 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.62 2kr6 h ASP 385 CO -0.03 0.28 -0.21 0.15 -2.88 0.00 0.00 179.24 176.56 2kr6 h PHE 386 N -0.71 -0.53 -0.86 0.28 3.57 -0.35 0.15 116.94 118.49 2kr6 h PHE 386 Ca -0.01 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.77 2kr6 h PHE 386 Cb 0.05 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2kr6 h PHE 386 CO 0.00 -0.29 0.60 0.97 -2.23 0.00 0.00 178.31 177.37 2kr6 h ILE 387 N -0.15 0.61 0.18 1.41 2.10 -1.65 0.42 117.51 120.44 2kr6 h ILE 387 Ca 0.18 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 66.06 2kr6 h ILE 387 Cb 0.43 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 2kr6 h ILE 387 CO -0.46 0.03 -0.09 0.15 -1.08 0.00 0.00 178.15 176.70 2kr6 h PHE 388 N 0.15 -0.23 0.00 2.19 3.04 -0.68 -2.58 116.94 118.83 2kr6 h PHE 388 Ca 0.43 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.37 2kr6 h PHE 388 Cb 1.45 0.08 0.00 0.00 2.56 0.00 0.00 35.95 40.03 2kr6 h PHE 388 CO -0.00 -0.14 0.00 1.88 -2.02 0.00 0.00 178.31 178.03 2kr6 h TYR 389 N -0.36 0.00 0.05 0.41 -1.99 -1.11 -2.52 116.97 111.45 2kr6 h TYR 389 Ca -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2kr6 h TYR 389 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 2kr6 h TYR 389 CO 0.10 0.00 -0.02 1.03 -0.00 0.00 0.00 178.16 179.26 2kr6 h SER 390 N 0.00 -0.05 0.08 3.88 0.87 -0.13 -1.12 113.55 117.08 2kr6 h SER 390 Ca 0.00 -0.56 -0.10 0.00 -1.23 0.00 0.00 61.79 59.90 2kr6 h SER 390 Cb 0.09 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2kr6 h SER 390 CO 0.00 0.57 -0.31 -0.37 -0.53 0.00 0.00 176.83 176.18 2kr6 h VAL 391 N -0.71 1.28 0.20 2.23 -1.51 -1.06 0.65 116.25 117.32 2kr6 h VAL 391 Ca -0.01 -1.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2kr6 h VAL 391 Cb 0.61 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2kr6 h VAL 391 CO 0.01 0.41 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.60 2kr6 h LEU 392 N 0.31 -0.23 0.43 4.19 3.38 -1.52 -2.14 115.31 119.73 2kr6 h LEU 392 Ca 0.04 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2kr6 h LEU 392 Cb 0.71 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2kr6 h LEU 392 CO 0.05 0.26 -0.21 0.58 0.09 0.00 0.00 178.44 179.21 2kr6 h VAL 393 N -0.80 0.53 -0.73 1.22 2.07 -1.21 -1.11 116.25 116.22 2kr6 h VAL 393 Ca -0.03 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.26 2kr6 h VAL 393 Cb 0.51 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 2kr6 h VAL 393 CO 0.05 0.06 0.26 1.23 0.02 0.00 0.00 177.57 179.19 2kr6 h GLY 394 N -0.81 1.07 2.00 2.17 0.00 -1.00 0.26 103.07 106.75 2kr6 h GLY 394 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2kr6 h GLY 394 CO 0.10 -0.11 -0.21 1.70 0.00 0.00 0.00 176.54 178.02 2kr6 h LYS 395 N 0.39 0.00 0.01 4.80 1.63 -1.35 -2.55 116.57 119.49 2kr6 h LYS 395 Ca 0.40 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 60.01 2kr6 h LYS 395 Cb 0.61 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2kr6 h LYS 395 CO -0.42 0.21 -0.87 0.00 -3.45 0.00 0.00 179.45 174.92 2kr6 h ALA 396 N 1.79 0.55 0.04 5.00 0.00 0.77 0.47 119.26 127.87 2kr6 h ALA 396 Ca -0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 54.91 53.90 2kr6 h ALA 396 Cb 0.68 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kr6 h ALA 396 CO 0.03 0.96 -1.10 0.77 0.00 0.00 0.00 179.25 179.91 2kr6 h SER 397 N 0.07 0.86 0.00 0.00 0.02 -0.87 -2.29 113.55 111.34 2kr6 h SER 397 Ca -0.03 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2kr6 h SER 397 Cb 1.50 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2kr6 h SER 397 CO 0.13 1.52 -0.33 0.00 -1.14 0.00 0.00 176.83 177.01 2kr6 h ALA 398 N 0.41 0.00 0.01 3.77 0.00 -1.52 -3.39 119.26 118.54 2kr6 h ALA 398 Ca -0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kr6 h ALA 398 Cb 1.76 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2kr6 h ALA 398 CO 0.21 0.33 -0.00 1.15 0.00 0.00 0.00 179.25 180.94 2kr6 h THR 399 N -0.75 1.52 -1.42 0.00 2.02 -0.62 -3.47 112.91 110.19 2kr6 h THR 399 Ca 0.00 -1.58 -0.26 0.00 0.77 0.00 0.00 66.41 65.34 2kr6 h THR 399 Cb 0.33 2.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 2kr6 h THR 399 CO 0.00 0.41 -0.30 0.00 0.37 0.00 0.00 175.52 176.00 2kr6 n ALA 400 N -2.45 -0.32 0.03 6.16 0.00 0.12 -4.86 120.51 119.20 2kr6 n ALA 400 Ca -0.09 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2kr6 n ALA 400 Cb 0.33 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 2kr6 n ALA 400 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kr6 n SER 401 N -0.33 2.55 -2.64 0.00 2.88 -1.26 -4.77 113.62 110.05 2kr6 n SER 401 Ca -0.15 -0.25 -0.26 0.00 -1.33 0.00 0.00 58.87 56.89 2kr6 n SER 401 Cb 0.55 1.03 -0.09 0.00 -0.75 0.00 0.00 64.21 64.95 2kr6 n SER 401 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kr6 n GLY 402 N 1.78 3.88 0.24 0.46 0.00 -1.26 -3.99 105.19 106.29 2kr6 n GLY 402 Ca -0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 2kr6 n GLY 402 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kr6 n ASP 403 N 2.40 2.31 -0.72 1.61 2.03 -1.26 -4.64 116.55 118.28 2kr6 n ASP 403 Ca 0.56 0.01 0.01 0.00 0.52 0.00 0.00 54.79 55.89 2kr6 n ASP 403 Cb 0.58 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2kr6 n ASP 403 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2kr6 n TRP 404 N -3.13 0.00 -4.15 -0.67 7.02 -1.26 -5.06 117.44 110.19 2kr6 n TRP 404 Ca -0.24 -0.11 -0.27 0.00 -1.02 0.00 0.00 57.50 55.85 2kr6 n TRP 404 Cb 0.73 -0.06 -0.04 0.00 -2.42 0.00 0.00 31.31 29.52 2kr6 n TRP 404 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2kr6 s ASN 405 N -1.19 4.46 0.01 -0.99 0.01 -1.26 -5.01 114.94 110.99 2kr6 s ASN 405 Ca 0.07 -1.27 0.16 0.00 -0.71 0.00 0.00 52.86 51.11 2kr6 s ASN 405 Cb 0.08 0.12 0.67 0.00 0.41 0.00 0.00 41.25 42.54 2kr6 s ASN 405 CO -0.04 -0.86 1.50 0.35 -1.51 0.00 0.00 177.10 176.55 2kr6 n THR 406 N -1.48 0.94 -0.19 1.60 -2.24 -1.26 -3.31 114.28 108.35 2kr6 n THR 406 Ca -0.05 0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2kr6 n THR 406 Cb 0.65 -0.98 0.10 0.00 -2.10 0.00 0.00 70.33 68.00 2kr6 n THR 406 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kr6 h THR 407 N 0.00 0.68 -0.27 4.28 2.02 -1.95 0.33 112.91 118.00 2kr6 h THR 407 Ca 0.00 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.15 2kr6 h THR 407 Cb 0.27 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 2kr6 h THR 407 CO 0.00 0.05 -0.25 0.16 0.37 0.00 0.00 175.52 175.85 2kr6 h ILE 408 N 0.28 0.38 -0.10 3.11 -0.00 -1.81 -1.08 117.51 118.28 2kr6 h ILE 408 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 65.05 2kr6 h ILE 408 Cb 0.42 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 37.61 2kr6 h ILE 408 CO -0.37 0.00 -0.43 0.00 -0.00 0.00 0.00 178.15 177.35 2kr6 h ALA 409 N 0.81 1.08 -0.09 0.16 0.00 -1.62 -2.71 119.26 116.90 2kr6 h ALA 409 Ca 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2kr6 h ALA 409 Cb 0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2kr6 h ALA 409 CO -0.41 0.60 -0.34 0.00 0.00 0.00 0.00 179.25 179.10 2kr6 h PHE 411 N -0.44 1.04 -0.62 0.00 -1.00 -1.43 -2.31 116.94 112.17 2kr6 h PHE 411 Ca 0.08 -0.23 0.10 0.00 2.81 0.00 0.00 57.97 60.74 2kr6 h PHE 411 Cb 0.57 -0.25 -0.08 0.00 3.61 0.00 0.00 35.95 39.80 2kr6 h PHE 411 CO -0.41 1.01 0.23 0.28 -1.61 0.00 0.00 178.31 177.81 2kr6 h VAL 412 N 0.78 0.75 -0.43 -0.55 2.07 -1.08 0.17 116.25 117.95 2kr6 h VAL 412 Ca 0.12 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 2kr6 h VAL 412 Cb 0.67 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2kr6 h VAL 412 CO 0.05 0.07 -0.30 0.00 0.02 0.00 0.00 177.57 177.41 2kr6 h ALA 413 N 1.44 0.61 0.72 1.67 0.00 -0.81 -1.94 119.26 120.95 2kr6 h ALA 413 Ca 0.32 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2kr6 h ALA 413 Cb 0.41 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kr6 h ALA 413 CO -0.33 0.66 -0.35 0.82 0.00 0.00 0.00 179.25 180.06 2kr6 h ILE 414 N 0.80 0.22 -0.45 0.00 2.04 -0.73 -2.52 117.51 116.87 2kr6 h ILE 414 Ca 0.08 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2kr6 h ILE 414 Cb 0.89 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2kr6 h ILE 414 CO 0.08 0.01 0.30 0.17 0.00 0.00 0.00 178.15 178.72 2kr6 h LEU 415 N -1.08 0.30 0.47 1.44 8.10 -0.78 -2.45 115.31 121.31 2kr6 h LEU 415 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 2kr6 h LEU 415 Cb 0.77 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.92 2kr6 h LEU 415 CO 0.16 0.19 -0.29 0.40 -4.11 0.00 0.00 178.44 174.80 2kr6 h ILE 416 N 0.34 0.40 0.31 0.15 2.04 -1.13 0.31 117.51 119.93 2kr6 h ILE 416 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2kr6 h ILE 416 Cb 0.35 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2kr6 h ILE 416 CO -0.05 0.00 -0.20 1.23 0.00 0.00 0.00 178.15 179.13 2kr6 h GLY 417 N -0.72 -0.51 1.62 5.37 0.00 -1.05 -2.29 103.07 105.49 2kr6 h GLY 417 Ca -0.05 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2kr6 h GLY 417 CO 0.05 -0.20 0.21 -2.00 0.00 0.00 0.00 176.54 174.61 2kr6 h LEU 418 N -0.50 0.31 -0.51 3.11 5.85 -1.43 -2.12 115.31 120.02 2kr6 h LEU 418 Ca -0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kr6 h LEU 418 Cb 0.42 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2kr6 h LEU 418 CO 0.02 0.22 0.28 0.00 -0.34 0.00 0.00 178.44 178.62 2kr6 h LEU 420 N 0.68 -1.31 0.24 0.00 6.46 -0.84 0.46 115.31 121.00 2kr6 h LEU 420 Ca 0.18 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 2kr6 h LEU 420 Cb 0.05 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2kr6 h LEU 420 CO -0.03 -0.53 -0.11 0.74 -0.62 0.00 0.00 178.44 177.88 2kr6 h THR 421 N -0.74 0.83 -0.87 1.05 2.02 -1.51 -2.64 112.91 111.04 2kr6 h THR 421 Ca 0.00 -0.60 0.23 0.00 0.77 0.00 0.00 66.41 66.81 2kr6 h THR 421 Cb 0.73 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2kr6 h THR 421 CO -0.21 0.13 0.60 0.25 0.37 0.00 0.00 175.52 176.66 2kr6 h LEU 422 N -0.64 0.19 0.12 2.58 5.85 -0.31 -1.11 115.31 121.98 2kr6 h LEU 422 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2kr6 h LEU 422 Cb 0.45 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2kr6 h LEU 422 CO 0.05 0.07 -0.06 0.25 -0.34 0.00 0.00 178.44 178.42 2kr6 h LEU 423 N 0.19 -0.13 -1.18 2.25 7.12 0.11 0.36 115.31 124.02 2kr6 h LEU 423 Ca 0.44 -0.33 0.21 0.00 0.13 0.00 0.00 57.88 58.32 2kr6 h LEU 423 Cb 1.41 0.03 -0.10 0.00 -0.53 0.00 0.00 40.66 41.48 2kr6 h LEU 423 CO -0.09 0.28 0.62 -0.07 -0.13 0.00 0.00 178.44 179.05 2kr6 h LEU 424 N -0.57 0.64 0.00 2.25 3.38 -0.85 0.31 115.31 120.47 2kr6 h LEU 424 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kr6 h LEU 424 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kr6 h LEU 424 CO 0.03 0.21 -0.76 0.25 0.09 0.00 0.00 178.44 178.26 2kr6 h LEU 425 N 0.62 0.00 -0.63 1.67 7.12 -1.38 -2.61 115.31 120.09 2kr6 h LEU 425 Ca 0.56 -0.02 -0.11 0.00 0.13 0.00 0.00 57.88 58.43 2kr6 h LEU 425 Cb 1.07 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 2kr6 h LEU 425 CO -0.32 0.01 -0.54 0.00 -0.13 0.00 0.00 178.44 177.45 2kr6 h ALA 426 N 2.05 0.86 0.00 1.25 0.00 0.34 -0.62 119.26 123.14 2kr6 h ALA 426 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 2kr6 h ALA 426 Cb 0.97 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2kr6 h ALA 426 CO 0.00 0.68 -2.24 -0.89 0.00 0.00 0.00 179.25 176.80 2kr6 n ILE 427 N -3.54 0.89 -0.11 0.00 2.08 -0.25 -4.36 119.36 114.07 2kr6 n ILE 427 Ca -0.00 -0.73 -0.06 0.00 0.56 0.00 0.00 62.75 62.52 2kr6 n ILE 427 Cb 0.63 -0.30 0.11 0.00 -0.75 0.00 0.00 39.64 39.33 2kr6 n ILE 427 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 2kr6 h PHE 428 N 0.00 0.89 0.00 1.39 3.57 -1.50 -3.47 116.94 117.82 2kr6 h PHE 428 Ca -0.35 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2kr6 h PHE 428 Cb 1.79 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2kr6 h PHE 428 CO 0.00 0.87 0.00 1.63 -2.23 0.00 0.00 178.31 178.58 2kr6 n LYS 429 N -4.16 0.00 -3.65 1.11 5.02 -1.12 -5.08 118.16 110.27 2kr6 n LYS 429 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2kr6 n LYS 429 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.31 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 -2.00 0.01 0.00 1.97 -2.85 -0.26 -4.92 119.74 111.70 2kr6 s LYS 430 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 2kr6 s LYS 430 Cb 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.77 2kr6 s LYS 430 CO 0.00 -0.00 0.59 0.00 0.10 0.00 0.00 175.35 176.03 2kr6 n ALA 431 N 2.32 -0.04 0.00 0.59 0.00 -1.18 -4.80 120.51 117.39 2kr6 n ALA 431 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kr6 n ALA 431 Cb 0.56 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.05 0.00 -4.66 0.00 4.77 -1.26 -5.02 117.00 109.77 2kr6 n LEU 432 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2kr6 n LEU 432 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2kr6 n LEU 432 CO 0.00 0.00 1.26 -2.16 -1.33 0.00 0.00 177.39 175.16 2kr6 s PRO 433 N 0.00 4.21 0.18 3.23 0.04 -1.26 -4.59 135.00 136.80 2kr6 s PRO 433 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kr6 s PRO 433 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2kr6 s PRO 433 CO 0.00 -0.77 0.00 0.00 0.04 0.00 0.00 177.00 176.27 2kr6 n ALA 434 N 6.74 -2.30 0.09 8.56 0.00 -1.26 -4.72 120.51 127.61 2kr6 n ALA 434 Ca 0.16 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.79 2kr6 n ALA 434 Cb 0.43 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2kr6 n ALA 434 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kr6 h LEU 435 N 3.01 -1.57 -7.57 0.00 4.07 -2.03 -3.27 115.31 107.95 2kr6 h LEU 435 Ca 0.00 0.17 -0.42 0.00 0.08 0.00 0.00 57.88 57.71 2kr6 h LEU 435 Cb 0.00 0.58 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2kr6 h LEU 435 CO 0.00 -0.53 1.40 -0.81 -1.08 0.00 0.00 178.44 177.42 2kr6 n PRO 436 N -5.36 1.55 -2.51 1.13 -0.04 -1.26 -4.91 135.00 123.59 2kr6 n PRO 436 Ca -0.08 -2.28 -0.43 0.00 -0.04 0.00 0.00 63.50 60.68 2kr6 n PRO 436 Cb 0.39 -3.50 -0.02 0.00 -0.04 0.00 0.00 33.50 30.33 2kr6 n PRO 436 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2kr6 s ILE 437 N 9.42 4.01 0.06 0.52 -4.36 -1.24 -4.99 121.20 124.63 2kr6 s ILE 437 Ca 0.66 0.97 -0.00 0.00 -0.26 0.00 0.00 60.65 62.01 2kr6 s ILE 437 Cb 0.04 -4.54 -0.04 0.00 1.25 0.00 0.00 42.46 39.16 2kr6 s ILE 437 CO 0.14 -1.10 -0.03 -0.94 0.24 0.00 0.00 174.94 173.24 2kr6 s SER 438 N 3.24 0.61 -0.68 4.36 1.04 -1.26 -5.02 113.70 115.98 2kr6 s SER 438 Ca 0.50 -1.01 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 2kr6 s SER 438 Cb -0.09 0.18 -0.09 0.00 0.10 0.00 0.00 66.02 66.12 2kr6 s SER 438 CO 0.29 -0.58 2.31 0.27 0.98 0.00 0.00 173.24 176.51 2kr6 s ILE 439 N -3.87 3.09 0.53 -1.02 -4.36 -1.26 -4.90 121.20 109.41 2kr6 s ILE 439 Ca 0.08 -0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.45 2kr6 s ILE 439 Cb 0.07 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.57 2kr6 s ILE 439 CO -0.09 -0.20 0.03 -0.89 0.24 0.00 0.00 174.94 174.03 2kr6 s THR 440 N 12.87 1.07 -0.02 8.37 2.01 -1.26 -5.02 115.64 133.67 2kr6 s THR 440 Ca 0.89 -1.96 -0.34 0.00 0.31 0.00 0.00 61.69 60.59 2kr6 s THR 440 Cb -0.14 -2.03 -0.13 0.00 0.01 0.00 0.00 72.50 70.22 2kr6 s THR 440 CO 0.14 0.00 1.78 0.49 -0.69 0.00 0.00 174.62 176.34 2kr6 n PHE 441 N -1.35 2.29 0.34 4.92 3.01 -1.26 -4.82 117.46 120.59 2kr6 n PHE 441 Ca -0.20 0.10 0.22 0.00 1.01 0.00 0.00 57.45 58.58 2kr6 n PHE 441 Cb 0.67 -2.62 1.15 0.00 -0.01 0.00 0.00 39.48 38.67 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 8.09 0.00 0.00 1.37 0.00 -1.96 -2.38 103.07 108.19 2kr6 h GLY 442 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2kr6 h GLY 442 CO 0.93 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.51 2kr6 n LEU 443 N -3.04 0.00 0.16 3.11 7.99 -1.26 0.16 117.00 124.12 2kr6 n LEU 443 Ca -0.03 0.73 0.01 0.00 -0.01 0.00 0.00 56.01 56.71 2kr6 n LEU 443 Cb 0.12 -0.23 0.28 0.00 -0.11 0.00 0.00 43.42 43.48 2kr6 n LEU 443 CO 0.19 -0.23 0.65 0.58 -1.51 0.00 0.00 177.39 177.06 2kr6 h VAL 444 N 0.00 1.32 0.60 4.08 2.07 -1.96 -2.60 116.25 119.76 2kr6 h VAL 444 Ca 0.00 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 2kr6 h VAL 444 Cb 0.00 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2kr6 h VAL 444 CO 0.00 0.44 -0.29 0.15 0.02 0.00 0.00 177.57 177.90 2kr6 h PHE 445 N 0.04 -0.75 -0.41 1.57 3.04 -1.35 0.24 116.94 119.34 2kr6 h PHE 445 Ca -0.00 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.99 2kr6 h PHE 445 Cb 0.80 0.25 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 2kr6 h PHE 445 CO 0.00 -0.46 0.10 1.88 -2.02 0.00 0.00 178.31 177.80 2kr6 h TYR 446 N -0.81 0.16 -0.25 0.41 0.05 -0.34 0.22 116.97 116.41 2kr6 h TYR 446 Ca -0.08 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2kr6 h TYR 446 Cb 0.62 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2kr6 h TYR 446 CO 0.09 0.03 0.16 0.74 -1.05 0.00 0.00 178.16 178.14 2kr6 h PHE 447 N 0.23 0.32 0.10 4.88 -1.00 -1.45 0.74 116.94 120.76 2kr6 h PHE 447 Ca 0.19 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 2kr6 h PHE 447 Cb 0.22 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.68 2kr6 h PHE 447 CO -0.19 0.21 -0.05 0.00 -1.61 0.00 0.00 178.31 176.67 2kr6 h ALA 448 N 1.84 -0.14 0.00 2.45 0.00 0.98 -3.24 119.26 121.14 2kr6 h ALA 448 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kr6 h ALA 448 Cb -0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kr6 h ALA 448 CO -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2kr6 h THR 449 N -0.93 0.00 -0.06 0.00 1.03 -0.47 -2.44 112.91 110.03 2kr6 h THR 449 Ca -0.01 -0.10 0.02 0.00 -0.01 0.00 0.00 66.41 66.30 2kr6 h THR 449 Cb 0.52 0.72 -0.00 0.00 -1.07 0.00 0.00 68.15 68.32 2kr6 h THR 449 CO 0.02 0.00 0.20 -0.78 -0.01 0.00 0.00 175.52 174.95 2kr6 h ASP 450 N 0.00 0.00 -0.36 0.00 1.82 -0.88 0.45 116.42 117.46 2kr6 h ASP 450 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kr6 h ASP 450 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2kr6 h ASP 450 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 2kr6 n TYR 451 N -3.21 0.74 0.00 0.28 4.19 -0.92 -4.33 117.16 113.91 2kr6 n TYR 451 Ca -0.01 -0.31 0.00 0.00 3.31 0.00 0.00 57.90 60.89 2kr6 n TYR 451 Cb 0.28 -0.12 0.00 0.00 0.49 0.00 0.00 39.34 39.99 2kr6 n TYR 451 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2kr6 n LEU 452 N 0.53 0.00 -0.07 2.98 4.77 0.15 -5.01 117.00 120.34 2kr6 n LEU 452 Ca 0.14 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 2kr6 n LEU 452 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 2kr6 n LEU 452 CO 0.12 -0.28 -0.98 0.52 -1.33 0.00 0.00 177.39 175.43 2kr6 n VAL 453 N -1.85 0.85 -1.60 4.08 0.31 -0.55 -5.12 118.33 114.44 2kr6 n VAL 453 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2kr6 n VAL 453 Cb 0.00 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 2kr6 n VAL 453 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2kr6 n GLN 454 N -2.97 -3.92 0.00 5.55 7.27 -0.73 -4.94 117.38 117.63 2kr6 n GLN 454 Ca -0.26 2.93 0.00 0.00 0.07 0.00 0.00 57.00 59.74 2kr6 n GLN 454 Cb 0.77 -2.99 0.00 0.00 2.41 0.00 0.00 30.24 30.43 2kr6 n GLN 454 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2kr6 n PRO 455 N 1.33 0.05 0.11 3.69 -0.04 -1.26 -4.84 135.00 134.05 2kr6 n PRO 455 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2kr6 n PRO 455 Cb 0.00 0.00 0.44 0.00 -0.04 0.00 0.00 33.50 33.90 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kr6 n PHE 456 N -1.45 0.58 0.14 0.54 7.35 -1.26 -2.47 117.46 120.89 2kr6 n PHE 456 Ca 0.00 0.26 0.19 0.00 -0.76 0.00 0.00 57.45 57.14 2kr6 n PHE 456 Cb 0.00 -0.92 0.77 0.00 0.35 0.00 0.00 39.48 39.68 2kr6 n PHE 456 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 2kr6 h MET 457 N 0.00 0.00 -0.40 -4.13 2.86 -1.93 -1.22 114.93 110.12 2kr6 h MET 457 Ca 0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2kr6 h MET 457 Cb 0.17 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 2kr6 h MET 457 CO 0.00 0.00 0.04 0.38 1.06 0.00 0.00 176.91 178.39 2kr6 h ASP 458 N 0.00 -0.07 0.00 1.22 2.03 -1.65 0.55 116.42 118.50 2kr6 h ASP 458 Ca 0.15 0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.51 2kr6 h ASP 458 Cb 0.90 0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.52 2kr6 h ASP 458 CO -0.00 0.00 -0.37 -0.61 -1.03 0.00 0.00 179.24 177.23 2kr6 h GLN 459 N 0.16 0.00 0.74 4.15 4.15 -1.50 -2.60 115.11 120.22 2kr6 h GLN 459 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 2kr6 h GLN 459 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2kr6 h GLN 459 CO -0.29 0.09 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.22 2kr6 h LEU 460 N -1.00 -1.03 0.00 -2.39 -0.00 -1.44 -2.37 115.31 107.08 2kr6 h LEU 460 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2kr6 h LEU 460 Cb 0.40 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2kr6 h LEU 460 CO -0.01 -0.66 0.00 0.00 -0.00 0.00 0.00 178.44 177.77 2kr6 n ALA 461 N -2.61 2.18 -0.80 1.53 0.00 0.15 -5.00 120.51 115.96 2kr6 n ALA 461 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2kr6 n ALA 461 Cb 0.44 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 2kr6 n ALA 461 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kr6 n PHE 462 N -1.22 -1.83 -2.04 0.00 7.35 0.10 -4.01 117.46 115.81 2kr6 n PHE 462 Ca 0.12 0.04 -0.42 0.00 -0.76 0.00 0.00 57.45 56.42 2kr6 n PHE 462 Cb 0.15 0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.14 2kr6 n PHE 462 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2kr6 n HIS 463 N -1.64 3.69 -2.88 -5.13 8.25 -1.23 -4.21 115.22 112.08 2kr6 n HIS 463 Ca 0.00 -2.94 -0.21 0.00 -0.26 0.00 0.00 57.72 54.31 2kr6 n HIS 463 Cb 0.01 -2.45 0.08 0.00 1.12 0.00 0.00 29.99 28.76 2kr6 n HIS 463 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2kr6 s GLN 464 N 2.79 2.06 -0.29 -0.41 -1.52 -1.26 -5.14 119.66 115.91 2kr6 s GLN 464 Ca 0.47 -1.47 -0.25 0.00 -1.95 0.00 0.00 55.36 52.15 2kr6 s GLN 464 Cb 0.11 -2.54 0.16 0.00 -0.22 0.00 0.00 33.01 30.52 2kr6 s GLN 464 CO -0.04 -1.08 1.25 -0.06 -0.25 0.00 0.00 175.29 175.11 2kr6 s PHE 465 N -2.84 -0.24 -0.24 0.91 0.08 -1.26 -5.08 117.98 109.30 2kr6 s PHE 465 Ca 0.64 0.59 -0.02 0.00 0.12 0.00 0.00 56.93 58.26 2kr6 s PHE 465 Cb -0.05 0.43 0.01 0.00 -0.57 0.00 0.00 43.02 42.83 2kr6 s PHE 465 CO 0.41 -0.12 0.03 0.66 -0.10 0.00 0.00 175.22 176.10 2kr6 n TYR 466 N 1.79 -3.38 -0.36 0.36 4.02 -1.26 -5.23 117.16 113.10 2kr6 n TYR 466 Ca -0.11 1.58 0.00 0.00 -0.01 0.00 0.00 57.90 59.36 2kr6 n TYR 466 Cb 0.57 -3.48 0.00 0.00 -0.02 0.00 0.00 39.34 36.41 2kr6 n TYR 466 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96