#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 1.19 -0.03 3.17 2.07 -2.05 -2.20 116.25 118.40 2kr6 h VAL 293 Ca 0.00 -0.49 -0.22 0.00 0.82 0.00 0.00 66.70 66.81 2kr6 h VAL 293 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2kr6 h VAL 293 CO 0.00 0.20 -0.88 -0.50 0.02 0.00 0.00 177.57 176.41 2kr6 h TRP 294 N 0.72 0.66 -0.70 1.57 4.06 -2.06 -1.19 115.95 119.02 2kr6 h TRP 294 Ca 0.19 -0.34 0.06 0.00 2.06 0.00 0.00 58.89 60.86 2kr6 h TRP 294 Cb 0.07 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.09 2kr6 h TRP 294 CO -0.01 1.14 0.40 1.25 -3.56 0.00 0.00 178.44 177.66 2kr6 h LEU 295 N 0.28 0.59 0.00 -4.49 5.85 -1.97 -1.84 115.31 113.73 2kr6 h LEU 295 Ca -0.07 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 2kr6 h LEU 295 Cb 1.50 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 2kr6 h LEU 295 CO 0.16 0.38 -1.12 1.62 -0.34 0.00 0.00 178.44 179.14 2kr6 h VAL 296 N 0.73 1.26 -0.38 1.05 3.04 -1.43 -3.29 116.25 117.22 2kr6 h VAL 296 Ca 0.31 -2.93 0.03 0.00 -1.01 0.00 0.00 66.70 63.10 2kr6 h VAL 296 Cb 0.20 2.61 -0.03 0.00 -2.01 0.00 0.00 31.29 32.05 2kr6 h VAL 296 CO -0.19 0.72 0.19 -1.13 -1.01 0.00 0.00 177.57 176.15 2kr6 h ASN 297 N 0.00 0.28 0.34 3.17 -0.73 -0.61 -0.57 115.58 117.45 2kr6 h ASN 297 Ca -0.09 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.05 2kr6 h ASN 297 Cb 1.74 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.29 2kr6 h ASN 297 CO 0.10 0.20 -0.27 0.00 -0.37 0.00 0.00 177.43 177.09 2kr6 h MET 298 N 0.39 0.00 -0.79 6.67 -0.00 -1.47 -2.23 114.93 117.49 2kr6 h MET 298 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.61 2kr6 h MET 298 Cb 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 31.52 2kr6 h MET 298 CO -0.11 0.27 0.32 0.00 -0.00 0.00 0.00 176.91 177.39 2kr6 n ALA 299 N -2.44 4.72 -1.19 -3.00 0.00 -0.62 -4.31 120.51 113.67 2kr6 n ALA 299 Ca -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 53.44 51.00 2kr6 n ALA 299 Cb 0.33 -1.28 0.25 0.00 0.00 0.00 0.00 19.45 18.75 2kr6 n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kr6 n GLU 300 N -0.24 2.75 -0.43 0.00 2.13 -0.32 -5.00 120.64 119.53 2kr6 n GLU 300 Ca 0.43 -3.05 0.00 0.00 0.66 0.00 0.00 57.16 55.20 2kr6 n GLU 300 Cb 1.43 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 31.14 2kr6 n GLU 300 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kr6 n GLY 301 N -0.68 -1.02 2.48 8.31 0.00 -1.26 -5.05 105.19 107.97 2kr6 n GLY 301 Ca 0.36 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2kr6 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kr6 n ASP 302 N 0.00 0.71 0.13 1.61 8.00 -1.26 -4.95 116.55 120.79 2kr6 n ASP 302 Ca 0.00 -2.69 -0.01 0.00 0.71 0.00 0.00 54.79 52.81 2kr6 n ASP 302 Cb 0.00 -0.62 0.24 0.00 -0.02 0.00 0.00 41.12 40.72 2kr6 n ASP 302 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kr6 h PRO 303 N 5.23 0.09 0.01 -0.24 0.13 -1.99 -3.29 132.00 131.94 2kr6 h PRO 303 Ca 0.21 -0.05 -0.38 0.00 -0.87 0.00 0.00 66.00 64.90 2kr6 h PRO 303 Cb 0.85 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.92 2kr6 h PRO 303 CO 0.50 0.55 -2.43 -1.91 -0.23 0.00 0.00 178.00 174.48 2kr6 n GLU 304 N -3.97 0.66 -3.08 0.86 4.07 -1.26 -5.06 120.64 112.87 2kr6 n GLU 304 Ca -0.02 0.13 -0.03 0.00 -0.06 0.00 0.00 57.16 57.18 2kr6 n GLU 304 Cb 0.51 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 2kr6 n GLU 304 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kr6 n ALA 305 N -3.15 -2.60 -2.11 4.31 0.00 -1.24 -5.03 120.51 110.68 2kr6 n ALA 305 Ca -0.43 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2kr6 n ALA 305 Cb 1.02 -1.84 0.02 0.00 0.00 0.00 0.00 19.45 18.65 2kr6 n ALA 305 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kr6 s GLN 306 N -3.05 2.51 0.06 0.00 -0.21 -1.26 -5.05 119.66 112.65 2kr6 s GLN 306 Ca 0.05 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 53.67 2kr6 s GLN 306 Cb -0.01 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 31.34 2kr6 s GLN 306 CO 0.76 -0.52 1.33 0.00 -2.12 0.00 0.00 175.29 174.75 2kr6 h ARG 307 N 0.55 -0.52 0.00 2.91 3.08 -2.03 -3.43 114.38 114.95 2kr6 h ARG 307 Ca -0.36 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 2kr6 h ARG 307 Cb 1.28 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.37 2kr6 h ARG 307 CO 0.47 -0.34 -0.18 2.89 -1.07 0.00 0.00 179.97 181.74 2kr6 n ARG 308 N -4.24 0.00 -0.07 0.04 1.85 -1.26 -4.93 116.66 108.05 2kr6 n ARG 308 Ca -0.06 -0.62 0.02 0.00 -1.00 0.00 0.00 57.85 56.19 2kr6 n ARG 308 Cb 0.26 0.36 0.03 0.00 -1.05 0.00 0.00 32.46 32.07 2kr6 n ARG 308 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2kr6 n VAL 309 N 0.00 0.93 0.19 8.89 0.24 -1.26 -3.55 118.33 123.76 2kr6 n VAL 309 Ca -0.17 -1.02 -0.08 0.00 -2.04 0.00 0.00 64.34 61.02 2kr6 n VAL 309 Cb 0.58 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.32 2kr6 n VAL 309 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2kr6 h SER 310 N 0.00 -0.46 -0.76 -1.34 0.87 -1.92 -3.31 113.55 106.64 2kr6 h SER 310 Ca 0.00 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 2kr6 h SER 310 Cb 0.81 0.12 -0.18 0.00 -0.44 0.00 0.00 62.40 62.71 2kr6 h SER 310 CO 0.00 -0.05 0.39 1.17 -0.53 0.00 0.00 176.83 177.81 2kr6 n LYS 311 N -5.02 2.86 -3.30 2.24 4.81 -1.26 -4.88 118.16 113.61 2kr6 n LYS 311 Ca -0.07 -2.69 -0.24 0.00 -0.87 0.00 0.00 58.31 54.45 2kr6 n LYS 311 Cb 0.21 -2.08 0.02 0.00 0.02 0.00 0.00 35.03 33.20 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 -0.46 -4.89 -0.12 3.14 3.02 -1.25 -4.83 115.26 109.88 2kr6 n ASN 312 Ca 0.44 -0.39 0.13 0.00 -0.03 0.00 0.00 54.58 54.73 2kr6 n ASN 312 Cb 1.39 -3.97 0.50 0.00 -0.61 0.00 0.00 39.78 37.10 2kr6 n ASN 312 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2kr6 h SER 313 N -1.32 0.37 -0.97 6.41 0.87 -1.88 -0.90 113.55 116.14 2kr6 h SER 313 Ca -0.49 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.22 2kr6 h SER 313 Cb 1.33 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2kr6 h SER 313 CO 0.56 0.21 0.59 0.50 -0.53 0.00 0.00 176.83 178.16 2kr6 h LYS 314 N 0.41 0.86 -1.61 2.24 3.64 -1.88 -3.38 116.57 116.86 2kr6 h LYS 314 Ca 0.31 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 2kr6 h LYS 314 Cb 0.67 -0.19 -0.27 0.00 -0.41 0.00 0.00 32.23 32.03 2kr6 h LYS 314 CO -0.09 0.57 -0.54 0.71 -2.27 0.00 0.00 179.45 177.83 2kr6 s TYR 315 N -5.95 -1.06 -0.17 1.91 2.02 -0.36 -5.13 117.35 108.61 2kr6 s TYR 315 Ca -0.12 0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.63 2kr6 s TYR 315 Cb 0.22 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.64 2kr6 s TYR 315 CO 0.80 -1.01 0.46 0.54 -1.57 0.00 0.00 175.55 174.77 2kr6 s ASN 316 N 2.34 6.55 -0.67 2.29 2.20 -1.13 -4.50 114.94 122.03 2kr6 s ASN 316 Ca 0.11 0.66 -0.07 0.00 -0.94 0.00 0.00 52.86 52.62 2kr6 s ASN 316 Cb -0.12 -2.27 0.01 0.00 -2.00 0.00 0.00 41.25 36.88 2kr6 s ASN 316 CO -0.24 -0.08 0.65 0.00 -2.94 0.00 0.00 177.10 174.49 2kr6 n ALA 317 N 4.30 -2.66 -1.31 3.54 0.00 -1.26 -4.97 120.51 118.15 2kr6 n ALA 317 Ca -0.07 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2kr6 n ALA 317 Cb 0.51 -1.85 0.18 0.00 0.00 0.00 0.00 19.45 18.29 2kr6 n ALA 317 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kr6 s GLU 318 N -3.32 0.26 0.25 0.00 1.03 -1.26 -5.09 118.70 110.57 2kr6 s GLU 318 Ca 0.09 0.25 -0.19 0.00 0.03 0.00 0.00 54.97 55.15 2kr6 s GLU 318 Cb -0.02 -1.74 0.02 0.00 -0.80 0.00 0.00 34.13 31.59 2kr6 s GLU 318 CO 0.80 -2.79 0.63 -1.54 -1.33 0.00 0.00 175.26 171.04 2kr6 s SER 319 N -3.82 -0.25 -0.12 0.83 1.04 -1.26 -5.16 113.70 104.95 2kr6 s SER 319 Ca 0.67 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 2kr6 s SER 319 Cb -0.15 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2kr6 s SER 319 CO 0.56 -1.23 0.15 0.28 0.98 0.00 0.00 173.24 173.97 2kr6 s THR 320 N -3.92 5.49 0.39 2.02 -1.32 -1.26 -5.10 115.64 111.94 2kr6 s THR 320 Ca 0.12 0.23 0.05 0.00 -1.21 0.00 0.00 61.69 60.88 2kr6 s THR 320 Cb -0.04 -3.42 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 2kr6 s THR 320 CO 0.04 0.60 0.18 -0.62 -2.21 0.00 0.00 174.62 172.62 2kr6 n GLU 321 N 2.12 0.53 -3.62 7.08 1.02 -1.26 -5.18 120.64 121.34 2kr6 n GLU 321 Ca -0.19 -3.44 -0.11 0.00 -0.02 0.00 0.00 57.16 53.39 2kr6 n GLU 321 Cb 0.55 2.12 -0.07 0.00 -0.02 0.00 0.00 31.44 34.02 2kr6 n GLU 321 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kr6 s ARG 322 N -3.51 0.63 0.08 3.49 1.70 -1.26 -5.18 118.95 114.90 2kr6 s ARG 322 Ca 0.26 0.58 -0.27 0.00 -0.47 0.00 0.00 55.73 55.83 2kr6 s ARG 322 Cb 0.01 0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.78 2kr6 s ARG 322 CO 0.18 -0.11 0.93 -2.00 -1.08 0.00 0.00 175.30 173.22 2kr6 s GLU 323 N -0.08 1.02 0.38 3.89 2.56 -1.26 -5.19 118.70 120.03 2kr6 s GLU 323 Ca 0.01 -0.50 0.08 0.00 0.00 0.00 0.00 54.97 54.56 2kr6 s GLU 323 Cb -0.04 0.39 -0.06 0.00 2.00 0.00 0.00 34.13 36.42 2kr6 s GLU 323 CO -0.02 -0.46 0.05 -1.12 -0.56 0.00 0.00 175.26 173.14 2kr6 s SER 324 N -2.75 4.12 -0.07 -1.70 0.01 -1.26 -5.15 113.70 106.90 2kr6 s SER 324 Ca 0.09 -1.13 -0.11 0.00 1.31 0.00 0.00 55.95 56.11 2kr6 s SER 324 Cb -0.01 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.78 2kr6 s SER 324 CO -0.03 -0.37 0.28 -1.58 0.41 0.00 0.00 173.24 171.95 2kr6 s GLN 325 N -3.75 0.45 0.00 12.44 0.74 -1.26 -5.00 119.66 123.28 2kr6 s GLN 325 Ca 0.36 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.91 2kr6 s GLN 325 Cb 0.04 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.36 2kr6 s GLN 325 CO 0.20 -0.09 0.00 -0.40 -0.55 0.00 0.00 175.29 174.44 2kr6 n ASP 326 N 2.27 0.00 -2.54 6.67 5.68 -1.26 -5.11 116.55 122.26 2kr6 n ASP 326 Ca -0.17 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.07 2kr6 n ASP 326 Cb 0.57 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 2kr6 n ASP 326 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2kr6 n THR 327 N -0.41-12.60 -2.68 2.12 -1.04 -1.26 -5.00 114.28 93.40 2kr6 n THR 327 Ca 0.00 2.71 -0.05 0.00 -2.04 0.00 0.00 64.05 64.67 2kr6 n THR 327 Cb 0.00 -6.44 0.04 0.00 -1.82 0.00 0.00 70.33 62.11 2kr6 n THR 327 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2kr6 n VAL 328 N 1.64 1.48 -3.26 12.58 0.24 -1.26 -5.04 118.33 124.73 2kr6 n VAL 328 Ca -0.41 -3.18 -0.45 0.00 -2.04 0.00 0.00 64.34 58.26 2kr6 n VAL 328 Cb 0.63 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 2kr6 n VAL 328 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kr6 s ALA 329 N -3.73 3.56 -1.08 2.33 0.00 -1.26 -4.99 121.76 116.59 2kr6 s ALA 329 Ca 0.31 -2.35 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 2kr6 s ALA 329 Cb 0.35 -3.32 0.27 0.00 0.00 0.00 0.00 23.12 20.42 2kr6 s ALA 329 CO -0.02 -2.07 1.07 0.39 0.00 0.00 0.00 175.76 175.13 2kr6 n GLU 330 N 5.59 3.41 -0.99 0.00 -0.58 -1.26 -4.52 120.64 122.29 2kr6 n GLU 330 Ca -0.12 -4.47 -0.03 0.00 -0.42 0.00 0.00 57.16 52.12 2kr6 n GLU 330 Cb 0.41 -2.52 -0.02 0.00 -0.57 0.00 0.00 31.44 28.74 2kr6 n GLU 330 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kr6 n ASN 331 N 2.56 -0.59 -2.74 1.62 2.85 -1.26 -5.02 115.26 112.67 2kr6 n ASN 331 Ca 0.24 -1.19 -0.09 0.00 -0.11 0.00 0.00 54.58 53.43 2kr6 n ASN 331 Cb 0.38 0.20 0.08 0.00 1.24 0.00 0.00 39.78 41.68 2kr6 n ASN 331 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kr6 n ASP 332 N -0.13 -2.44 -1.97 1.20 2.03 -1.26 -4.98 116.55 108.99 2kr6 n ASP 332 Ca -0.15 -3.60 -0.22 0.00 0.52 0.00 0.00 54.79 51.35 2kr6 n ASP 332 Cb 0.53 1.87 0.15 0.00 -0.72 0.00 0.00 41.12 42.95 2kr6 n ASP 332 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kr6 n ASP 333 N 0.69 4.53 -3.14 1.67 8.00 -1.26 -4.77 116.55 122.27 2kr6 n ASP 333 Ca 0.07 -3.72 0.01 0.00 0.71 0.00 0.00 54.79 51.86 2kr6 n ASP 333 Cb 0.68 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 2kr6 n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kr6 s GLY 334 N -1.94 -1.29 -0.17 0.44 0.00 -1.26 -5.01 107.32 98.09 2kr6 s GLY 334 Ca 0.55 0.23 0.07 0.00 0.00 0.00 0.00 44.72 45.57 2kr6 s GLY 334 CO 0.04 3.71 1.23 0.61 0.00 0.00 0.00 173.10 178.70 2kr6 n GLY 335 N 4.23 1.20 2.86 0.20 0.00 -1.26 -5.12 105.19 107.30 2kr6 n GLY 335 Ca 0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2kr6 n GLY 335 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kr6 s PHE 336 N 0.07 0.13 -0.27 1.61 -0.12 -1.26 -5.15 117.98 112.99 2kr6 s PHE 336 Ca 0.05 0.01 -0.22 0.00 -0.05 0.00 0.00 56.93 56.72 2kr6 s PHE 336 Cb 0.23 -0.16 0.07 0.00 -0.63 0.00 0.00 43.02 42.53 2kr6 s PHE 336 CO -0.07 -0.04 0.70 0.45 -0.05 0.00 0.00 175.22 176.21 2kr6 s SER 337 N 0.36 -0.79 -0.07 1.98 0.15 -1.26 -5.15 113.70 108.92 2kr6 s SER 337 Ca -0.03 1.44 -0.02 0.00 0.70 0.00 0.00 55.95 58.03 2kr6 s SER 337 Cb -0.05 1.42 0.04 0.00 -1.71 0.00 0.00 66.02 65.71 2kr6 s SER 337 CO -0.01 -0.24 0.06 -1.61 1.20 0.00 0.00 173.24 172.64 2kr6 s GLU 338 N 0.72 0.01 -0.78 5.44 2.02 -1.26 -5.03 118.70 119.82 2kr6 s GLU 338 Ca -0.03 0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.21 2kr6 s GLU 338 Cb -0.05 -0.79 0.38 0.00 0.10 0.00 0.00 34.13 33.77 2kr6 s GLU 338 CO -0.05 -0.39 2.04 0.39 0.02 0.00 0.00 175.26 177.28 2kr6 n GLU 339 N 5.28 2.72 -1.72 1.61 1.02 -1.26 -4.94 120.64 123.35 2kr6 n GLU 339 Ca -0.04 -3.42 -0.00 0.00 -0.02 0.00 0.00 57.16 53.68 2kr6 n GLU 339 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2kr6 n GLU 339 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2kr6 n TRP 340 N -0.64 -0.52 -3.25 -0.32 2.14 -1.26 -5.16 117.44 108.43 2kr6 n TRP 340 Ca 0.57 -0.09 0.08 0.00 2.07 0.00 0.00 57.50 60.12 2kr6 n TRP 340 Cb 0.38 0.04 -0.02 0.00 -0.81 0.00 0.00 31.31 30.90 2kr6 n TRP 340 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 2kr6 n GLU 341 N -0.06 -1.13 0.10 -2.67 2.13 -1.26 -4.99 120.64 112.76 2kr6 n GLU 341 Ca -0.00 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.56 2kr6 n GLU 341 Cb 0.05 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2kr6 n GLU 341 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kr6 n ALA 342 N -0.94 0.38 -2.22 4.31 0.00 -1.26 -5.06 120.51 115.71 2kr6 n ALA 342 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kr6 n ALA 342 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.00 4.25 -0.25 0.00 0.74 -1.26 -4.99 119.66 116.15 2kr6 s GLN 343 Ca 0.00 1.94 -0.02 0.00 0.05 0.00 0.00 55.36 57.33 2kr6 s GLN 343 Cb 0.00 -3.72 0.08 0.00 1.10 0.00 0.00 33.01 30.47 2kr6 s GLN 343 CO 0.00 -0.67 0.07 1.03 -0.55 0.00 0.00 175.29 175.18 2kr6 s ARG 344 N 3.04 0.57 0.54 1.67 0.52 -1.26 -5.13 118.95 118.91 2kr6 s ARG 344 Ca 0.64 -0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 54.99 2kr6 s ARG 344 Cb -0.29 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 2kr6 s ARG 344 CO 0.24 -0.82 1.30 0.16 0.02 0.00 0.00 175.30 176.20 2kr6 s ASP 345 N 1.83 5.38 -0.01 0.23 1.47 -1.26 -4.99 116.67 119.32 2kr6 s ASP 345 Ca 0.04 2.64 -0.02 0.00 1.18 0.00 0.00 52.55 56.39 2kr6 s ASP 345 Cb -0.17 -2.63 -0.01 0.00 -0.34 0.00 0.00 42.92 39.78 2kr6 s ASP 345 CO -0.19 -1.48 -0.04 -1.54 0.68 0.00 0.00 175.17 172.60 2kr6 n SER 346 N -1.04 0.31 0.00 2.11 3.41 -1.26 -5.07 113.62 112.08 2kr6 n SER 346 Ca 0.10 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2kr6 n SER 346 Cb 0.46 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2kr6 n SER 346 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kr6 n HIS 347 N -2.80 0.00 -1.57 7.33 1.44 -1.26 -5.10 115.22 113.26 2kr6 n HIS 347 Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.30 2kr6 n HIS 347 Cb 0.06 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.14 2kr6 n HIS 347 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2kr6 n LEU 348 N -0.43 2.78 0.00 2.39 -0.00 -1.26 -4.66 117.00 115.82 2kr6 n LEU 348 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2kr6 n LEU 348 Cb 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 41.85 2kr6 n LEU 348 CO 0.00 -1.13 0.00 0.61 -0.00 0.00 0.00 177.39 176.87 2kr6 n GLY 349 N 5.90 2.09 0.35 -3.96 0.00 -1.26 -5.07 105.19 103.23 2kr6 n GLY 349 Ca 0.34 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2kr6 n GLY 349 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kr6 n PRO 350 N 1.02 -1.23 -0.11 1.61 -0.04 -1.26 -5.02 135.00 129.97 2kr6 n PRO 350 Ca 0.00 -0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 2kr6 n PRO 350 Cb 0.00 -0.16 -0.13 0.00 -0.04 0.00 0.00 33.50 33.17 2kr6 n PRO 350 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kr6 n HIS 351 N -2.74 0.10 -2.47 0.54 -0.00 -1.26 -5.04 115.22 104.36 2kr6 n HIS 351 Ca 0.01 0.03 -0.05 0.00 0.46 0.00 0.00 57.72 58.17 2kr6 n HIS 351 Cb 0.06 -1.01 -0.04 0.00 -0.12 0.00 0.00 29.99 28.87 2kr6 n HIS 351 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2kr6 n ARG 352 N -3.13 -3.99 -3.78 1.57 0.63 -1.26 -5.03 116.66 101.67 2kr6 n ARG 352 Ca -0.41 3.08 -0.29 0.00 -0.92 0.00 0.00 57.85 59.30 2kr6 n ARG 352 Cb 1.04 -4.63 -0.15 0.00 0.45 0.00 0.00 32.46 29.17 2kr6 n ARG 352 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2kr6 s SER 353 N -0.66 3.79 0.27 6.15 0.15 -1.26 -5.12 113.70 117.01 2kr6 s SER 353 Ca -0.24 -1.40 0.12 0.00 0.70 0.00 0.00 55.95 55.13 2kr6 s SER 353 Cb 0.02 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.38 2kr6 s SER 353 CO 0.70 -0.36 -0.20 0.42 1.20 0.00 0.00 173.24 175.01 2kr6 s THR 354 N 1.59 2.43 -0.29 6.45 -4.23 -1.26 -5.09 115.64 115.24 2kr6 s THR 354 Ca 0.05 -2.38 -0.29 0.00 -1.18 0.00 0.00 61.69 57.89 2kr6 s THR 354 Cb -0.18 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2kr6 s THR 354 CO -0.17 -0.40 1.65 -2.16 -0.54 0.00 0.00 174.62 173.01 2kr6 s PRO 355 N -3.47 3.59 0.38 3.99 0.04 -1.26 -4.88 135.00 133.40 2kr6 s PRO 355 Ca 0.29 1.47 0.14 0.00 0.04 0.00 0.00 61.00 62.94 2kr6 s PRO 355 Cb -0.05 -4.09 0.78 0.00 0.04 0.00 0.00 34.50 31.17 2kr6 s PRO 355 CO 0.14 -1.54 1.85 1.49 0.04 0.00 0.00 177.00 178.98 2kr6 h GLU 356 N 11.52 0.00 0.14 4.56 4.81 -1.98 -0.69 114.58 132.94 2kr6 h GLU 356 Ca -0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2kr6 h GLU 356 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2kr6 h GLU 356 CO 1.02 0.35 -0.07 0.77 -0.73 0.00 0.00 179.01 180.35 2kr6 h SER 357 N 0.00 -0.16 0.32 1.04 0.02 -1.99 0.40 113.55 113.18 2kr6 h SER 357 Ca -0.00 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 2kr6 h SER 357 Cb 0.63 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2kr6 h SER 357 CO 0.05 0.19 -0.45 0.03 -1.14 0.00 0.00 176.83 175.51 2kr6 h ARG 358 N -0.54 0.17 -0.05 3.45 3.08 -1.96 -2.94 114.38 115.59 2kr6 h ARG 358 Ca -0.02 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2kr6 h ARG 358 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2kr6 h ARG 358 CO 0.03 0.59 -0.05 0.00 -1.07 0.00 0.00 179.97 179.48 2kr6 h ALA 359 N 1.40 0.07 -0.88 0.04 0.00 -1.08 0.99 119.26 119.80 2kr6 h ALA 359 Ca 0.01 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.76 2kr6 h ALA 359 Cb 0.86 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2kr6 h ALA 359 CO 0.07 -0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.74 2kr6 h ALA 360 N 0.54 1.73 0.03 0.00 0.00 -0.89 0.25 119.26 120.92 2kr6 h ALA 360 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kr6 h ALA 360 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kr6 h ALA 360 CO 0.01 0.07 -0.02 0.28 0.00 0.00 0.00 179.25 179.59 2kr6 h VAL 361 N 0.79 0.86 -0.09 0.00 2.07 -1.48 -2.56 116.25 115.83 2kr6 h VAL 361 Ca 0.42 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.43 2kr6 h VAL 361 Cb 0.54 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2kr6 h VAL 361 CO -0.19 0.28 -0.26 -0.61 0.02 0.00 0.00 177.57 176.81 2kr6 h GLN 362 N -0.98 -0.34 0.05 1.57 4.15 -0.61 0.19 115.11 119.14 2kr6 h GLN 362 Ca -0.00 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2kr6 h GLN 362 Cb 0.49 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2kr6 h GLN 362 CO 0.01 -0.23 -0.08 0.93 -1.93 0.00 0.00 178.83 177.53 2kr6 h GLU 363 N -0.36 -0.16 -0.32 1.69 5.08 -0.67 -2.06 114.58 117.78 2kr6 h GLU 363 Ca 0.09 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2kr6 h GLU 363 Cb 0.49 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2kr6 h GLU 363 CO -0.29 -0.11 -0.07 1.25 -1.00 0.00 0.00 179.01 178.79 2kr6 h LEU 364 N -0.17 -0.29 -1.01 1.33 6.46 -1.08 -1.12 115.31 119.44 2kr6 h LEU 364 Ca 0.02 0.09 0.13 0.00 -0.12 0.00 0.00 57.88 58.00 2kr6 h LEU 364 Cb 0.18 0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 2kr6 h LEU 364 CO -0.05 -0.10 0.63 0.28 -0.62 0.00 0.00 178.44 178.58 2kr6 h SER 365 N 0.01 0.92 0.42 1.25 0.02 -0.39 -1.33 113.55 114.45 2kr6 h SER 365 Ca 0.15 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2kr6 h SER 365 Cb 0.23 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kr6 h SER 365 CO -0.33 0.48 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.36 2kr6 h SER 366 N 0.98 -0.48 0.11 3.07 0.87 -0.51 0.23 113.55 117.83 2kr6 h SER 366 Ca 0.50 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 61.07 2kr6 h SER 366 Cb 0.52 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 2kr6 h SER 366 CO -0.27 -0.30 -0.31 0.28 -0.53 0.00 0.00 176.83 175.70 2kr6 h SER 367 N -0.62 -0.89 0.08 6.23 0.02 -0.83 0.30 113.55 117.85 2kr6 h SER 367 Ca -0.06 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kr6 h SER 367 Cb 0.46 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 2kr6 h SER 367 CO 0.09 -0.40 -0.01 -0.29 -1.14 0.00 0.00 176.83 175.09 2kr6 h ILE 368 N -0.53 0.16 -0.39 3.27 2.10 -1.24 0.67 117.51 121.56 2kr6 h ILE 368 Ca 0.03 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.91 2kr6 h ILE 368 Cb 0.56 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 2kr6 h ILE 368 CO -0.19 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.07 2kr6 n LEU 369 N -3.30 2.89 -2.07 2.19 4.77 0.07 -4.88 117.00 116.66 2kr6 n LEU 369 Ca -0.03 -1.45 -0.17 0.00 -0.03 0.00 0.00 56.01 54.33 2kr6 n LEU 369 Cb 0.10 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2kr6 n LEU 369 CO 0.23 0.53 -0.15 0.00 -1.33 0.00 0.00 177.39 176.67 2kr6 n ALA 370 N 0.58 -0.58 -3.33 -1.18 0.00 0.23 -4.95 120.51 111.28 2kr6 n ALA 370 Ca 0.15 0.17 -0.46 0.00 0.00 0.00 0.00 53.44 53.29 2kr6 n ALA 370 Cb 0.54 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.42 2.85 -0.20 0.00 0.00 0.88 -5.01 107.32 103.42 2kr6 s GLY 371 Ca 0.08 -3.49 -0.25 0.00 0.00 0.00 0.00 44.72 41.06 2kr6 s GLY 371 CO 0.10 1.28 0.82 1.85 0.00 0.00 0.00 173.10 177.15 2kr6 s GLU 372 N -0.29 4.24 0.19 2.90 -6.30 -1.26 -4.23 118.70 113.95 2kr6 s GLU 372 Ca 0.22 0.97 0.06 0.00 -2.50 0.00 0.00 54.97 53.72 2kr6 s GLU 372 Cb -0.10 -3.61 -0.05 0.00 0.00 0.00 0.00 34.13 30.38 2kr6 s GLU 372 CO -0.09 -0.41 -0.11 -0.51 0.02 0.00 0.00 175.26 174.16 2kr6 s ASP 373 N 1.24 2.22 0.34 -1.70 1.11 -1.26 -5.03 116.67 113.59 2kr6 s ASP 373 Ca 0.36 -1.04 0.26 0.00 0.18 0.00 0.00 52.55 52.32 2kr6 s ASP 373 Cb -0.16 -0.08 1.11 0.00 1.07 0.00 0.00 42.92 44.86 2kr6 s ASP 373 CO 0.10 -0.27 1.79 1.55 1.18 0.00 0.00 175.17 179.52 2kr6 h PRO 374 N 2.62 0.00 0.00 8.23 0.13 -2.01 -2.82 132.00 138.15 2kr6 h PRO 374 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2kr6 h PRO 374 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kr6 h PRO 374 CO 0.63 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.21 2kr6 h GLU 375 N 0.00 0.00 -1.82 0.86 4.39 -2.00 -3.46 114.58 112.55 2kr6 h GLU 375 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2kr6 h GLU 375 Cb 0.39 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2kr6 h GLU 375 CO 0.00 0.12 -0.40 0.39 -1.16 0.00 0.00 179.01 177.96 2kr6 n GLU 376 N -3.56 -1.32 -2.73 2.33 -0.58 -1.07 -4.95 120.64 108.75 2kr6 n GLU 376 Ca -0.02 0.96 -0.42 0.00 -0.42 0.00 0.00 57.16 57.27 2kr6 n GLU 376 Cb 0.25 -5.34 -0.03 0.00 -0.57 0.00 0.00 31.44 25.75 2kr6 n GLU 376 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kr6 s ARG 377 N -4.31 4.59 -0.19 3.49 3.00 -1.26 -4.58 118.95 119.69 2kr6 s ARG 377 Ca 0.00 1.40 -0.12 0.00 0.00 0.00 0.00 55.73 57.01 2kr6 s ARG 377 Cb 0.00 -3.44 0.04 0.00 0.00 0.00 0.00 34.95 31.56 2kr6 s ARG 377 CO 0.00 0.03 0.23 0.41 0.00 0.00 0.00 175.30 175.97 2kr6 n GLY 378 N 2.74 -5.21 3.23 -3.53 0.00 -1.26 -4.76 105.19 96.40 2kr6 n GLY 378 Ca 0.05 1.70 -0.42 0.00 0.00 0.00 0.00 46.02 47.35 2kr6 n GLY 378 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kr6 s VAL 379 N -0.72 4.66 -0.48 1.61 0.11 -1.26 -4.60 120.40 119.72 2kr6 s VAL 379 Ca -0.27 -2.35 0.07 0.00 -2.93 0.00 0.00 61.98 56.51 2kr6 s VAL 379 Cb 0.02 -3.97 0.19 0.00 -1.53 0.00 0.00 36.38 31.08 2kr6 s VAL 379 CO 0.78 -0.90 0.68 -1.59 -3.33 0.00 0.00 175.10 170.74 2kr6 s LYS 380 N 0.54 0.98 -0.20 1.54 -2.85 -1.26 -4.95 119.74 113.54 2kr6 s LYS 380 Ca 0.13 -0.83 0.04 0.00 -1.00 0.00 0.00 55.97 54.30 2kr6 s LYS 380 Cb -0.19 -0.05 0.13 0.00 -2.06 0.00 0.00 37.83 35.66 2kr6 s LYS 380 CO -0.04 -1.28 0.95 -0.11 0.10 0.00 0.00 175.35 174.97 2kr6 n LEU 381 N 3.44 -0.81 0.00 2.77 7.94 -1.26 -3.97 117.00 125.11 2kr6 n LEU 381 Ca 0.16 -1.89 0.00 0.00 -1.11 0.00 0.00 56.01 53.17 2kr6 n LEU 381 Cb 0.56 0.70 0.00 0.00 0.53 0.00 0.00 43.42 45.21 2kr6 n LEU 381 CO -0.01 1.26 0.00 0.61 -1.11 0.00 0.00 177.39 178.14 2kr6 n GLY 382 N -0.52 -0.58 0.17 -3.96 0.00 -1.26 -4.67 105.19 94.37 2kr6 n GLY 382 Ca -0.13 0.78 0.12 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.99 0.41 115.31 118.79 2kr6 h LEU 383 Ca 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.75 2kr6 h LEU 383 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 2kr6 h LEU 383 CO 0.00 0.00 -1.62 0.61 -1.08 0.00 0.00 178.44 176.35 2kr6 n GLY 384 N -0.92 -0.27 0.02 0.83 0.00 -1.26 -4.40 105.19 99.19 2kr6 n GLY 384 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kr6 n GLY 384 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kr6 h ASP 385 N -0.56 -0.01 -0.97 1.61 5.19 -1.92 -3.17 116.42 116.59 2kr6 h ASP 385 Ca -0.32 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.28 2kr6 h ASP 385 Cb 1.20 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.62 2kr6 h ASP 385 CO -0.19 0.19 0.61 -0.26 -3.12 0.00 0.00 179.24 176.46 2kr6 h PHE 386 N -0.39 0.84 0.00 4.55 -1.00 -1.55 0.34 116.94 119.74 2kr6 h PHE 386 Ca -0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2kr6 h PHE 386 Cb 0.01 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.31 2kr6 h PHE 386 CO 0.00 0.21 -0.11 0.97 -1.61 0.00 0.00 178.31 177.77 2kr6 h ILE 387 N 0.62 1.07 0.15 -0.55 6.09 -0.37 0.28 117.51 124.79 2kr6 h ILE 387 Ca 0.53 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 63.64 2kr6 h ILE 387 Cb 1.01 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2kr6 h ILE 387 CO -0.28 0.11 -0.07 0.15 -3.07 0.00 0.00 178.15 174.98 2kr6 h PHE 388 N 0.00 -0.19 0.00 2.19 3.04 -0.29 -2.57 116.94 119.11 2kr6 h PHE 388 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2kr6 h PHE 388 Cb 0.19 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.77 2kr6 h PHE 388 CO 0.00 0.25 0.00 1.88 -2.02 0.00 0.00 178.31 178.42 2kr6 h TYR 389 N -0.81 0.00 0.04 0.41 0.05 -1.31 -2.60 116.97 112.75 2kr6 h TYR 389 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kr6 h TYR 389 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2kr6 h TYR 389 CO 0.09 0.00 -0.02 1.03 -1.05 0.00 0.00 178.16 178.21 2kr6 h SER 390 N 0.00 -0.05 -0.34 3.88 0.87 -0.45 -1.12 113.55 116.34 2kr6 h SER 390 Ca 0.00 -0.60 -0.08 0.00 -1.23 0.00 0.00 61.79 59.88 2kr6 h SER 390 Cb 0.52 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2kr6 h SER 390 CO 0.00 0.61 -0.07 -0.37 -0.53 0.00 0.00 176.83 176.48 2kr6 h VAL 391 N -0.74 1.25 0.22 2.23 -1.51 -1.43 0.14 116.25 116.41 2kr6 h VAL 391 Ca -0.01 -1.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 2kr6 h VAL 391 Cb 0.64 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2kr6 h VAL 391 CO 0.01 0.37 -0.10 0.25 -1.23 0.00 0.00 177.57 176.87 2kr6 h LEU 392 N 0.68 -0.25 0.47 4.19 6.46 -1.54 -2.07 115.31 123.26 2kr6 h LEU 392 Ca 0.12 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2kr6 h LEU 392 Cb 0.52 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2kr6 h LEU 392 CO 0.03 0.20 -0.23 0.58 -0.62 0.00 0.00 178.44 178.40 2kr6 h VAL 393 N -0.76 0.51 -0.71 1.05 2.07 -1.19 -1.40 116.25 115.82 2kr6 h VAL 393 Ca -0.03 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.38 2kr6 h VAL 393 Cb 0.50 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 2kr6 h VAL 393 CO 0.05 0.04 0.21 1.23 0.02 0.00 0.00 177.57 179.13 2kr6 h GLY 394 N -0.79 1.01 2.00 2.17 0.00 -0.83 0.21 103.07 106.84 2kr6 h GLY 394 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2kr6 h GLY 394 CO 0.11 -0.14 -0.29 0.50 0.00 0.00 0.00 176.54 176.72 2kr6 h LYS 395 N 0.34 0.00 0.00 4.80 1.79 -1.31 -2.36 116.57 119.83 2kr6 h LYS 395 Ca 0.39 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.76 2kr6 h LYS 395 Cb 0.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2kr6 h LYS 395 CO -0.44 0.29 -0.48 0.00 -1.08 0.00 0.00 179.45 177.74 2kr6 h ALA 396 N 1.71 0.89 0.05 3.86 0.00 0.51 0.43 119.26 126.71 2kr6 h ALA 396 Ca -0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2kr6 h ALA 396 Cb 0.59 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kr6 h ALA 396 CO 0.04 0.61 -0.65 1.03 0.00 0.00 0.00 179.25 180.28 2kr6 h SER 397 N 0.00 0.49 0.00 0.00 0.87 -0.70 -2.72 113.55 111.49 2kr6 h SER 397 Ca -0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2kr6 h SER 397 Cb 1.07 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2kr6 h SER 397 CO 0.06 1.26 -0.30 0.00 -0.53 0.00 0.00 176.83 177.32 2kr6 h ALA 398 N 0.23 0.00 -0.00 6.23 0.00 -1.51 -3.42 119.26 120.80 2kr6 h ALA 398 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kr6 h ALA 398 Cb 1.40 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2kr6 h ALA 398 CO 0.12 0.30 -0.00 1.15 0.00 0.00 0.00 179.25 180.83 2kr6 h THR 399 N -0.73 1.35 -4.52 0.00 2.02 -0.59 -3.49 112.91 106.94 2kr6 h THR 399 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2kr6 h THR 399 Cb 0.30 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2kr6 h THR 399 CO 0.00 0.26 -0.25 0.00 0.37 0.00 0.00 175.52 175.91 2kr6 n ALA 400 N -2.31 -2.80 0.09 6.16 0.00 0.11 -4.96 120.51 116.80 2kr6 n ALA 400 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2kr6 n ALA 400 Cb 0.22 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2kr6 n ALA 400 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kr6 n SER 401 N -0.65 0.41 -2.93 0.00 7.64 -1.26 -5.01 113.62 111.82 2kr6 n SER 401 Ca 0.06 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 60.23 2kr6 n SER 401 Cb 0.35 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2kr6 n SER 401 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr6 n GLY 402 N 2.45 -2.42 3.50 0.23 0.00 -1.26 -5.03 105.19 102.66 2kr6 n GLY 402 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 2kr6 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kr6 s ASP 403 N -1.42 3.45 0.06 1.61 1.01 -1.26 -5.05 116.67 115.07 2kr6 s ASP 403 Ca 0.02 -1.16 -0.19 0.00 0.71 0.00 0.00 52.55 51.93 2kr6 s ASP 403 Cb -0.00 -0.29 -0.08 0.00 1.01 0.00 0.00 42.92 43.55 2kr6 s ASP 403 CO 0.48 -0.19 1.31 -0.50 0.21 0.00 0.00 175.17 176.48 2kr6 h TRP 404 N 2.14 -0.85 0.00 4.23 6.55 -2.01 -3.40 115.95 122.61 2kr6 h TRP 404 Ca -0.41 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.45 2kr6 h TRP 404 Cb 1.25 0.36 0.00 0.00 -0.86 0.00 0.00 29.16 29.91 2kr6 h TRP 404 CO 0.76 -0.34 -0.19 0.27 -1.05 0.00 0.00 178.44 177.89 2kr6 n ASN 405 N -4.13 0.00 0.01 -3.49 0.23 -1.26 -4.72 115.26 101.90 2kr6 n ASN 405 Ca -0.05 -1.39 -0.01 0.00 -0.53 0.00 0.00 54.58 52.60 2kr6 n ASN 405 Cb 0.23 -0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 37.85 2kr6 n ASN 405 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2kr6 h THR 406 N 4.81 0.00 0.00 5.53 2.02 -1.97 -3.29 112.91 120.02 2kr6 h THR 406 Ca 0.00 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 2kr6 h THR 406 Cb 1.15 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2kr6 h THR 406 CO 0.00 0.00 -0.67 0.71 0.37 0.00 0.00 175.52 175.93 2kr6 h THR 407 N -0.51 1.08 -0.49 3.16 1.35 -1.92 -2.93 112.91 112.64 2kr6 h THR 407 Ca -0.01 -2.05 0.10 0.00 -0.55 0.00 0.00 66.41 63.90 2kr6 h THR 407 Cb 0.06 2.28 -0.10 0.00 -1.73 0.00 0.00 68.15 68.66 2kr6 h THR 407 CO 0.01 0.37 -0.15 -0.29 -0.25 0.00 0.00 175.52 175.20 2kr6 h ILE 408 N -1.00 0.46 -0.12 6.82 2.10 -1.82 0.33 117.51 124.28 2kr6 h ILE 408 Ca -0.17 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.66 2kr6 h ILE 408 Cb 1.04 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2kr6 h ILE 408 CO -0.10 0.00 -0.41 0.00 -1.08 0.00 0.00 178.15 176.56 2kr6 h ALA 409 N 1.40 1.09 0.18 0.18 0.00 -1.74 -2.51 119.26 117.87 2kr6 h ALA 409 Ca 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kr6 h ALA 409 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kr6 h ALA 409 CO -0.52 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.17 2kr6 h PHE 411 N -0.34 0.55 0.21 0.00 0.04 -1.19 -2.69 116.94 113.51 2kr6 h PHE 411 Ca -0.01 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2kr6 h PHE 411 Cb 0.31 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2kr6 h PHE 411 CO -0.12 0.62 -0.10 0.28 -0.60 0.00 0.00 178.31 178.40 2kr6 h VAL 412 N 0.47 0.87 -0.23 -0.55 2.07 -1.05 -0.49 116.25 117.34 2kr6 h VAL 412 Ca 0.09 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2kr6 h VAL 412 Cb 0.51 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2kr6 h VAL 412 CO 0.03 0.13 -0.21 0.00 0.02 0.00 0.00 177.57 177.54 2kr6 h ALA 413 N 0.11 -0.08 -0.23 1.67 0.00 -0.56 0.32 119.26 120.49 2kr6 h ALA 413 Ca -0.03 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kr6 h ALA 413 Cb 0.43 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kr6 h ALA 413 CO 0.05 -0.63 -0.04 0.97 0.00 0.00 0.00 179.25 179.59 2kr6 h ILE 414 N -0.22 1.17 -0.36 0.00 2.10 -1.51 -2.59 117.51 116.10 2kr6 h ILE 414 Ca 0.13 -0.67 -0.16 0.00 1.08 0.00 0.00 64.86 65.25 2kr6 h ILE 414 Cb 0.42 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.18 2kr6 h ILE 414 CO -0.36 0.22 -0.38 0.25 -1.08 0.00 0.00 178.15 176.80 2kr6 h LEU 415 N 0.33 0.96 0.38 2.19 6.46 0.39 -2.59 115.31 123.43 2kr6 h LEU 415 Ca 0.07 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2kr6 h LEU 415 Cb 0.29 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2kr6 h LEU 415 CO 0.01 1.24 -0.25 0.40 -0.62 0.00 0.00 178.44 179.21 2kr6 h ILE 416 N 0.70 0.47 -0.18 4.05 1.08 -0.06 0.33 117.51 123.90 2kr6 h ILE 416 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 2kr6 h ILE 416 Cb 0.98 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 2kr6 h ILE 416 CO 0.09 0.00 -0.03 1.23 -0.69 0.00 0.00 178.15 178.76 2kr6 h GLY 417 N -0.62 0.14 1.52 5.37 0.00 -1.54 -2.08 103.07 105.86 2kr6 h GLY 417 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2kr6 h GLY 417 CO 0.02 -0.05 0.06 -2.00 0.00 0.00 0.00 176.54 174.57 2kr6 h LEU 418 N 0.02 0.56 -0.98 3.11 7.12 -1.36 -2.58 115.31 121.22 2kr6 h LEU 418 Ca 0.08 -0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.01 2kr6 h LEU 418 Cb 0.12 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.05 2kr6 h LEU 418 CO -0.16 0.59 0.65 0.00 -0.13 0.00 0.00 178.44 179.38 2kr6 h LEU 420 N 1.32 -1.19 -0.23 0.00 5.85 -0.98 0.36 115.31 120.44 2kr6 h LEU 420 Ca 0.36 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2kr6 h LEU 420 Cb -0.14 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kr6 h LEU 420 CO -0.08 -0.72 0.09 0.71 -0.34 0.00 0.00 178.44 178.09 2kr6 h THR 421 N -1.16 1.17 -0.09 1.05 1.35 -1.50 -2.44 112.91 111.29 2kr6 h THR 421 Ca -0.10 -0.52 0.03 0.00 -0.55 0.00 0.00 66.41 65.27 2kr6 h THR 421 Cb 0.93 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2kr6 h THR 421 CO 0.10 0.17 0.07 0.25 -0.25 0.00 0.00 175.52 175.86 2kr6 h LEU 422 N 0.21 0.00 0.19 3.87 5.85 -0.31 -2.35 115.31 122.77 2kr6 h LEU 422 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kr6 h LEU 422 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2kr6 h LEU 422 CO -0.01 0.00 -0.09 0.25 -0.34 0.00 0.00 178.44 178.25 2kr6 h LEU 423 N 0.00 -0.22 -1.20 2.25 5.85 0.19 0.35 115.31 122.53 2kr6 h LEU 423 Ca 0.04 -0.28 0.12 0.00 0.84 0.00 0.00 57.88 58.61 2kr6 h LEU 423 Cb 0.18 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2kr6 h LEU 423 CO -0.00 0.20 0.59 0.25 -0.34 0.00 0.00 178.44 179.13 2kr6 h LEU 424 N -0.68 0.76 0.00 2.25 6.46 -1.08 0.98 115.31 124.01 2kr6 h LEU 424 Ca -0.03 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2kr6 h LEU 424 Cb 0.48 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2kr6 h LEU 424 CO 0.04 0.41 -0.39 0.25 -0.62 0.00 0.00 178.44 178.13 2kr6 h LEU 425 N 0.82 0.00 -0.56 2.25 5.85 -1.40 -2.23 115.31 120.04 2kr6 h LEU 425 Ca 0.45 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 59.00 2kr6 h LEU 425 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2kr6 h LEU 425 CO -0.21 0.01 -0.47 0.00 -0.34 0.00 0.00 178.44 177.43 2kr6 h ALA 426 N 2.08 0.74 0.00 1.25 0.00 0.22 -2.45 119.26 121.10 2kr6 h ALA 426 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kr6 h ALA 426 Cb 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kr6 h ALA 426 CO 0.00 0.67 -1.53 -0.89 0.00 0.00 0.00 179.25 177.50 2kr6 n ILE 427 N -4.00 0.12 0.16 0.00 2.08 -0.80 -3.19 119.36 113.73 2kr6 n ILE 427 Ca -0.02 -0.39 -0.07 0.00 0.56 0.00 0.00 62.75 62.83 2kr6 n ILE 427 Cb 0.56 0.13 -0.03 0.00 -0.75 0.00 0.00 39.64 39.55 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 -0.40 -0.09 1.39 3.57 -1.39 -3.42 116.94 116.60 2kr6 h PHE 428 Ca 0.00 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 2kr6 h PHE 428 Cb 0.88 0.13 -0.29 0.00 2.79 0.00 0.00 35.95 39.46 2kr6 h PHE 428 CO 0.00 -0.25 -0.74 1.63 -2.23 0.00 0.00 178.31 176.72 2kr6 n LYS 429 N -3.70 0.57 -1.25 1.11 5.02 -1.14 -5.08 118.16 113.68 2kr6 n LYS 429 Ca -0.05 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 2kr6 n LYS 429 Cb 0.17 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 2kr6 n LYS 429 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kr6 n LYS 430 N -0.17 -3.54 -2.56 1.97 4.81 -0.93 -4.78 118.16 112.96 2kr6 n LYS 430 Ca -0.06 2.57 -0.42 0.00 -0.87 0.00 0.00 58.31 59.53 2kr6 n LYS 430 Cb 0.92 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 33.09 2kr6 n LYS 430 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kr6 s ALA 431 N -2.05 2.87 0.49 3.14 0.00 -1.21 -4.79 121.76 120.20 2kr6 s ALA 431 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2kr6 s ALA 431 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2kr6 s ALA 431 CO 0.00 -2.99 0.00 1.28 0.00 0.00 0.00 175.76 174.05 2kr6 n LEU 432 N 8.94 -1.17 0.00 0.00 4.32 -1.26 -4.47 117.00 123.35 2kr6 n LEU 432 Ca 0.06 2.18 0.07 0.00 -0.02 0.00 0.00 56.01 58.29 2kr6 n LEU 432 Cb 0.49 -2.36 0.31 0.00 -1.62 0.00 0.00 43.42 40.24 2kr6 n LEU 432 CO 0.71 -1.02 0.72 -0.81 -1.22 0.00 0.00 177.39 175.77 2kr6 n PRO 433 N -2.91 0.03 -2.02 3.23 -0.04 -1.26 -4.54 135.00 127.50 2kr6 n PRO 433 Ca -0.03 0.24 -0.26 0.00 -0.04 0.00 0.00 63.50 63.41 2kr6 n PRO 433 Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2kr6 n PRO 433 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kr6 s ALA 434 N -2.94 1.64 0.49 0.55 0.00 -1.26 -4.72 121.76 115.52 2kr6 s ALA 434 Ca 0.08 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2kr6 s ALA 434 Cb 0.09 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2kr6 s ALA 434 CO 0.25 -5.19 0.00 1.28 0.00 0.00 0.00 175.76 172.11 2kr6 n LEU 435 N 14.66 -1.22 -4.35 0.00 4.77 -1.26 -4.45 117.00 125.15 2kr6 n LEU 435 Ca 0.43 2.23 -0.32 0.00 -0.03 0.00 0.00 56.01 58.32 2kr6 n LEU 435 Cb 0.47 -2.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.09 2kr6 n LEU 435 CO 0.64 -0.98 1.64 -0.81 -1.33 0.00 0.00 177.39 176.54 2kr6 n PRO 436 N -2.85 1.56 -2.96 3.23 -0.04 -1.26 -4.41 135.00 128.27 2kr6 n PRO 436 Ca -0.02 -2.31 -0.03 0.00 -0.04 0.00 0.00 63.50 61.09 2kr6 n PRO 436 Cb 0.44 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 2kr6 n PRO 436 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kr6 n ILE 437 N 7.40 -7.76 -3.97 0.52 -0.00 -1.26 -5.02 119.36 109.26 2kr6 n ILE 437 Ca 0.46 1.16 -0.22 0.00 -0.00 0.00 0.00 62.75 64.15 2kr6 n ILE 437 Cb 0.45 -5.30 -0.05 0.00 -0.00 0.00 0.00 39.64 34.74 2kr6 n ILE 437 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2kr6 s SER 438 N -1.47 5.08 -0.78 4.38 0.15 -1.26 -5.07 113.70 114.73 2kr6 s SER 438 Ca 0.05 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2kr6 s SER 438 Cb -0.01 -0.95 0.19 0.00 -1.71 0.00 0.00 66.02 63.55 2kr6 s SER 438 CO 0.50 -0.27 0.62 0.27 1.20 0.00 0.00 173.24 175.56 2kr6 s ILE 439 N -2.32 3.76 0.58 6.45 -4.36 -1.26 -5.07 121.20 118.99 2kr6 s ILE 439 Ca 0.38 -3.80 0.08 0.00 -0.26 0.00 0.00 60.65 57.05 2kr6 s ILE 439 Cb -0.05 -3.39 0.08 0.00 1.25 0.00 0.00 42.46 40.35 2kr6 s ILE 439 CO 0.25 -1.02 0.65 0.41 0.24 0.00 0.00 174.94 175.48 2kr6 n THR 440 N 2.46 0.00 -1.65 8.37 -1.04 -1.26 -4.82 114.28 116.35 2kr6 n THR 440 Ca 0.18 -2.10 -0.52 0.00 -2.04 0.00 0.00 64.05 59.58 2kr6 n THR 440 Cb 0.36 -0.29 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 2kr6 n THR 440 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kr6 n PHE 441 N -2.10 1.90 -0.27 -1.42 7.35 -1.26 -4.78 117.46 116.88 2kr6 n PHE 441 Ca 0.09 0.46 0.06 0.00 -0.76 0.00 0.00 57.45 57.29 2kr6 n PHE 441 Cb 0.63 -2.45 0.20 0.00 0.35 0.00 0.00 39.48 38.21 2kr6 n PHE 441 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2kr6 h GLY 442 N 6.04 1.23 -0.00 7.13 0.00 -1.96 -0.64 103.07 114.88 2kr6 h GLY 442 Ca -0.47 -0.19 0.14 0.00 0.00 0.00 0.00 47.33 46.81 2kr6 h GLY 442 CO 0.86 -0.06 0.15 -2.00 0.00 0.00 0.00 176.54 175.50 2kr6 h LEU 443 N 0.52 -0.01 -0.18 3.11 6.46 -1.99 0.36 115.31 123.59 2kr6 h LEU 443 Ca 0.43 0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 58.17 2kr6 h LEU 443 Cb 0.62 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2kr6 h LEU 443 CO -0.38 -0.03 -0.51 0.58 -0.62 0.00 0.00 178.44 177.49 2kr6 h VAL 444 N 0.26 1.32 0.87 1.05 2.07 -1.60 -2.28 116.25 117.94 2kr6 h VAL 444 Ca 0.38 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 2kr6 h VAL 444 Cb 0.63 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2kr6 h VAL 444 CO -0.48 0.54 -0.44 0.15 0.02 0.00 0.00 177.57 177.36 2kr6 h PHE 445 N 0.35 -1.14 -0.04 1.57 3.04 0.00 0.24 116.94 120.96 2kr6 h PHE 445 Ca -0.01 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.95 2kr6 h PHE 445 Cb 1.13 0.38 -0.05 0.00 2.56 0.00 0.00 35.95 39.97 2kr6 h PHE 445 CO 0.09 -0.70 -0.26 1.88 -2.02 0.00 0.00 178.31 177.31 2kr6 h TYR 446 N -1.20 -0.69 -0.94 0.41 0.05 -0.45 0.29 116.97 114.45 2kr6 h TYR 446 Ca -0.12 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.78 2kr6 h TYR 446 Cb 0.92 0.31 -0.07 0.00 1.01 0.00 0.00 36.73 38.91 2kr6 h TYR 446 CO 0.01 -0.35 0.60 0.35 -1.05 0.00 0.00 178.16 177.72 2kr6 h PHE 447 N -0.38 1.04 0.00 4.88 3.57 -1.40 0.35 116.94 125.00 2kr6 h PHE 447 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2kr6 h PHE 447 Cb 0.48 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2kr6 h PHE 447 CO -0.31 0.47 0.00 0.00 -2.23 0.00 0.00 178.31 176.24 2kr6 h ALA 448 N 1.53 1.00 0.00 2.41 0.00 0.50 -3.01 119.26 121.70 2kr6 h ALA 448 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2kr6 h ALA 448 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kr6 h ALA 448 CO -0.19 0.00 -1.17 2.41 0.00 0.00 0.00 179.25 180.29 2kr6 n THR 449 N -2.89 0.15 0.14 0.00 -1.04 0.92 -4.15 114.28 107.41 2kr6 n THR 449 Ca 0.03 -0.28 0.18 0.00 -2.04 0.00 0.00 64.05 61.94 2kr6 n THR 449 Cb 0.40 0.22 0.77 0.00 -1.82 0.00 0.00 70.33 69.91 2kr6 n THR 449 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kr6 h ASP 450 N 0.00 0.00 -0.38 8.00 3.32 -0.31 0.59 116.42 127.63 2kr6 h ASP 450 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kr6 h ASP 450 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2kr6 h ASP 450 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2kr6 n TYR 451 N -3.98 0.76 0.01 4.55 9.36 -1.26 -4.27 117.16 122.34 2kr6 n TYR 451 Ca 0.04 -0.32 0.00 0.00 3.32 0.00 0.00 57.90 60.94 2kr6 n TYR 451 Cb 0.43 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 2kr6 n TYR 451 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2kr6 n LEU 452 N 0.59 0.00 -0.08 2.98 4.32 0.17 -5.02 117.00 119.97 2kr6 n LEU 452 Ca 0.14 0.04 -0.15 0.00 -0.02 0.00 0.00 56.01 56.02 2kr6 n LEU 452 Cb 0.49 0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 2kr6 n LEU 452 CO 0.12 -0.53 -1.04 0.52 -1.22 0.00 0.00 177.39 175.24 2kr6 n VAL 453 N -2.60 0.89 -2.37 4.08 0.31 0.96 -5.10 118.33 114.50 2kr6 n VAL 453 Ca 0.00 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.05 2kr6 n VAL 453 Cb 0.00 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 -3.48 -2.19 0.00 5.55 7.27 -0.15 -4.92 117.38 119.46 2kr6 n GLN 454 Ca -0.30 1.95 0.00 0.00 0.07 0.00 0.00 57.00 58.72 2kr6 n GLN 454 Cb 0.75 -4.17 0.00 0.00 2.41 0.00 0.00 30.24 29.22 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 0.21 0.13 0.16 3.69 -0.04 -1.26 -4.71 135.00 133.18 2kr6 n PRO 455 Ca 0.03 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.67 2kr6 n PRO 455 Cb 0.10 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.29 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kr6 h PHE 456 N -0.94 0.00 -1.26 0.54 3.04 -1.97 -0.82 116.94 115.53 2kr6 h PHE 456 Ca 0.00 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.31 2kr6 h PHE 456 Cb 0.00 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 2kr6 h PHE 456 CO 0.00 0.00 0.89 1.98 -2.02 0.00 0.00 178.31 179.16 2kr6 h MET 457 N 0.00 0.06 0.23 1.11 4.05 -1.92 0.38 114.93 118.85 2kr6 h MET 457 Ca 0.14 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2kr6 h MET 457 Cb 1.09 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 2kr6 h MET 457 CO -0.00 0.04 -0.22 0.22 0.23 0.00 0.00 176.91 177.18 2kr6 h ASP 458 N 0.07 -0.58 0.00 1.39 3.58 -1.42 0.28 116.42 119.73 2kr6 h ASP 458 Ca 0.62 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 58.09 2kr6 h ASP 458 Cb 2.33 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 43.57 2kr6 h ASP 458 CO -0.08 -0.33 -0.27 1.56 -2.88 0.00 0.00 179.24 177.24 2kr6 h GLN 459 N -0.48 0.00 -0.16 0.28 1.08 -1.15 -1.79 115.11 112.89 2kr6 h GLN 459 Ca -0.01 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2kr6 h GLN 459 Cb 0.44 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 2kr6 h GLN 459 CO -0.04 0.59 -0.22 1.25 -0.95 0.00 0.00 178.83 179.46 2kr6 h LEU 460 N -1.00 -0.68 -2.40 1.46 5.85 -0.47 -0.59 115.31 117.49 2kr6 h LEU 460 Ca -0.06 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kr6 h LEU 460 Cb 0.70 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2kr6 h LEU 460 CO -0.04 -0.26 0.00 0.00 -0.34 0.00 0.00 178.44 177.80 2kr6 n ALA 461 N -2.71 3.12 -0.30 1.25 0.00 0.98 -4.42 120.51 118.43 2kr6 n ALA 461 Ca -0.02 -1.13 0.22 0.00 0.00 0.00 0.00 53.44 52.51 2kr6 n ALA 461 Cb 0.27 -1.05 0.51 0.00 0.00 0.00 0.00 19.45 19.18 2kr6 n ALA 461 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kr6 h PHE 462 N 2.67 0.62 -1.99 0.00 3.57 -0.17 -3.35 116.94 118.29 2kr6 h PHE 462 Ca 0.00 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.26 2kr6 h PHE 462 Cb 1.22 -0.18 -0.31 0.00 2.79 0.00 0.00 35.95 39.47 2kr6 h PHE 462 CO 0.60 0.09 -0.58 -1.01 -2.23 0.00 0.00 178.31 175.17 2kr6 s HIS 463 N -5.46 -0.69 0.53 0.41 3.76 -1.26 -5.03 115.29 107.54 2kr6 s HIS 463 Ca -0.09 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2kr6 s HIS 463 Cb 0.24 -0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2kr6 s HIS 463 CO 0.79 -0.90 0.07 1.14 -0.85 0.00 0.00 174.74 174.99 2kr6 s GLN 464 N 2.45 2.22 0.02 1.40 1.03 -1.26 -5.13 119.66 120.39 2kr6 s GLN 464 Ca 0.10 -2.37 0.01 0.00 0.04 0.00 0.00 55.36 53.14 2kr6 s GLN 464 Cb -0.14 -1.62 -0.02 0.00 0.03 0.00 0.00 33.01 31.27 2kr6 s GLN 464 CO -0.29 -0.43 -0.05 -0.06 -2.54 0.00 0.00 175.29 171.92 2kr6 s PHE 465 N -2.88 0.42 -0.03 9.60 0.08 -1.26 -5.09 117.98 118.83 2kr6 s PHE 465 Ca 0.08 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 2kr6 s PHE 465 Cb 0.00 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.18 2kr6 s PHE 465 CO 0.05 -0.11 -0.05 0.98 -0.10 0.00 0.00 175.22 176.00 2kr6 n TYR 466 N 1.85 0.11 1.32 0.36 9.36 -1.26 -5.08 117.16 123.83 2kr6 n TYR 466 Ca -0.21 0.05 0.11 0.00 3.32 0.00 0.00 57.90 61.16 2kr6 n TYR 466 Cb 0.56 -0.25 0.63 0.00 -0.63 0.00 0.00 39.34 39.65 2kr6 n TYR 466 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19