#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr6 h VAL 293 N 0.00 0.54 -0.34 3.17 2.07 -2.05 -0.19 116.25 119.44 2kr6 h VAL 293 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2kr6 h VAL 293 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2kr6 h VAL 293 CO 0.00 0.00 0.25 -0.25 0.02 0.00 0.00 177.57 177.59 2kr6 h TRP 294 N -0.22 0.00 0.12 1.57 7.01 -2.05 -0.88 115.95 121.50 2kr6 h TRP 294 Ca 0.10 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2kr6 h TRP 294 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2kr6 h TRP 294 CO -0.29 0.00 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.23 2kr6 h LEU 295 N 0.00 -0.14 -0.98 0.65 3.38 -1.51 -0.73 115.31 115.98 2kr6 h LEU 295 Ca 0.16 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2kr6 h LEU 295 Cb 0.66 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2kr6 h LEU 295 CO -0.00 0.37 0.65 0.58 0.09 0.00 0.00 178.44 180.12 2kr6 h VAL 296 N -0.70 1.21 -0.13 1.22 2.07 -0.68 -2.02 116.25 117.23 2kr6 h VAL 296 Ca -0.02 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 2kr6 h VAL 296 Cb 0.52 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2kr6 h VAL 296 CO 0.03 0.23 -0.51 0.78 0.02 0.00 0.00 177.57 178.12 2kr6 h ASN 297 N 1.28 0.38 -0.11 0.57 4.21 -1.22 -2.86 115.58 117.83 2kr6 h ASN 297 Ca 0.38 -0.19 0.03 0.00 1.21 0.00 0.00 56.30 57.73 2kr6 h ASN 297 Cb -0.07 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.02 2kr6 h ASN 297 CO -0.10 0.82 0.11 -0.03 -1.29 0.00 0.00 177.43 176.94 2kr6 h MET 298 N 0.27 0.00 -0.92 0.81 4.05 -0.36 -1.55 114.93 117.24 2kr6 h MET 298 Ca 0.01 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 2kr6 h MET 298 Cb 0.99 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.73 2kr6 h MET 298 CO 0.08 0.00 0.58 0.00 0.23 0.00 0.00 176.91 177.81 2kr6 h ALA 299 N 1.89 1.26 -0.45 0.39 0.00 -1.38 -2.03 119.26 118.95 2kr6 h ALA 299 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2kr6 h ALA 299 Cb 0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 2kr6 h ALA 299 CO -0.00 0.36 0.07 -1.91 0.00 0.00 0.00 179.25 177.78 2kr6 n GLU 300 N -4.56 2.51 0.00 0.00 4.07 -0.62 -4.78 120.64 117.25 2kr6 n GLU 300 Ca 0.13 -3.05 0.00 0.00 -0.06 0.00 0.00 57.16 54.19 2kr6 n GLU 300 Cb 0.17 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 2kr6 n GLU 300 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kr6 n GLY 301 N -0.79 1.41 3.96 8.31 0.00 -0.76 -4.99 105.19 112.32 2kr6 n GLY 301 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 2kr6 n GLY 301 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kr6 s ASP 302 N -1.00 6.26 0.50 1.61 1.11 -1.26 -5.00 116.67 118.88 2kr6 s ASP 302 Ca 0.00 0.26 0.29 0.00 0.18 0.00 0.00 52.55 53.27 2kr6 s ASP 302 Cb 0.00 -1.89 1.20 0.00 1.07 0.00 0.00 42.92 43.30 2kr6 s ASP 302 CO 0.00 -0.24 1.93 1.55 1.18 0.00 0.00 175.17 179.59 2kr6 h PRO 303 N 0.90 0.00 -1.00 8.23 0.13 -1.95 -2.84 132.00 135.46 2kr6 h PRO 303 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 2kr6 h PRO 303 Cb 1.23 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 2kr6 h PRO 303 CO 0.60 0.12 0.65 0.39 -0.23 0.00 0.00 178.00 179.53 2kr6 n GLU 304 N -3.31 2.22 -2.92 0.86 1.02 -1.26 -4.73 120.64 112.52 2kr6 n GLU 304 Ca -0.00 -2.91 -0.43 0.00 -0.02 0.00 0.00 57.16 53.80 2kr6 n GLU 304 Cb 0.35 -2.14 0.01 0.00 -0.02 0.00 0.00 31.44 29.64 2kr6 n GLU 304 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kr6 n ALA 305 N -1.08 5.36 0.00 0.62 0.00 -1.08 -4.27 120.51 120.07 2kr6 n ALA 305 Ca 0.58 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2kr6 n ALA 305 Cb 1.59 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2kr6 n ALA 305 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kr6 n GLN 306 N 1.11 0.00 -3.99 0.00 0.00 -1.26 -4.84 117.38 108.40 2kr6 n GLN 306 Ca 0.30 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.99 2kr6 n GLN 306 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.40 2kr6 n GLN 306 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2kr6 s ARG 307 N -1.15 1.93 -0.37 3.69 3.52 -1.26 -5.05 118.95 120.26 2kr6 s ARG 307 Ca 0.00 -1.04 0.02 0.00 -0.13 0.00 0.00 55.73 54.58 2kr6 s ARG 307 Cb 0.00 -2.62 0.15 0.00 -1.56 0.00 0.00 34.95 30.92 2kr6 s ARG 307 CO 0.00 -0.53 0.29 1.03 -0.81 0.00 0.00 175.30 175.27 2kr6 s ARG 308 N 1.31 0.65 -0.03 5.12 0.52 -1.26 -4.93 118.95 120.33 2kr6 s ARG 308 Ca -0.05 -1.39 0.05 0.00 -0.52 0.00 0.00 55.73 53.82 2kr6 s ARG 308 Cb -0.18 -1.16 0.07 0.00 0.52 0.00 0.00 34.95 34.20 2kr6 s ARG 308 CO -0.07 -1.25 0.95 1.33 0.02 0.00 0.00 175.30 176.28 2kr6 n VAL 309 N 3.80 0.94 -0.04 3.52 0.24 -1.26 -4.54 118.33 121.00 2kr6 n VAL 309 Ca 0.16 -1.04 -0.09 0.00 -2.04 0.00 0.00 64.34 61.33 2kr6 n VAL 309 Cb 0.42 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 33.04 2kr6 n VAL 309 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kr6 n SER 310 N -0.60 0.63 -0.03 -1.34 7.64 -1.26 -4.29 113.62 114.38 2kr6 n SER 310 Ca 0.04 0.30 -0.03 0.00 1.01 0.00 0.00 58.87 60.19 2kr6 n SER 310 Cb 0.44 0.23 -0.13 0.00 -1.01 0.00 0.00 64.21 63.74 2kr6 n SER 310 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kr6 n LYS 311 N -2.96 0.65 -3.43 1.43 5.02 -1.26 -5.02 118.16 112.58 2kr6 n LYS 311 Ca -0.21 0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.00 2kr6 n LYS 311 Cb 1.08 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 34.44 2kr6 n LYS 311 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kr6 n ASN 312 N -2.77 -6.28 -0.80 4.39 4.13 -1.26 -4.93 115.26 107.74 2kr6 n ASN 312 Ca -0.17 -0.64 0.04 0.00 1.68 0.00 0.00 54.58 55.49 2kr6 n ASN 312 Cb 0.93 -3.94 0.18 0.00 -1.54 0.00 0.00 39.78 35.41 2kr6 n ASN 312 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kr6 n SER 313 N -2.42 1.81 -0.09 6.41 2.88 -1.26 -4.77 113.62 116.18 2kr6 n SER 313 Ca -0.10 -3.67 -0.13 0.00 -1.33 0.00 0.00 58.87 53.63 2kr6 n SER 313 Cb 0.58 -0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 2kr6 n SER 313 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kr6 n LYS 314 N -0.91 0.52 -4.11 -1.46 5.02 -1.26 -4.98 118.16 110.97 2kr6 n LYS 314 Ca 0.19 0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 56.59 2kr6 n LYS 314 Cb 0.76 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 2kr6 n LYS 314 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2kr6 s TYR 315 N -2.49 3.04 0.30 2.13 1.13 -1.26 -4.98 117.35 115.22 2kr6 s TYR 315 Ca -0.25 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2kr6 s TYR 315 Cb 0.05 -1.54 0.00 0.00 -1.10 0.00 0.00 41.96 39.37 2kr6 s TYR 315 CO 0.39 0.50 0.00 0.09 -2.51 0.00 0.00 175.55 174.02 2kr6 n ASN 316 N 0.40 -2.70 -1.07 -0.18 3.02 -1.26 -5.10 115.26 108.37 2kr6 n ASN 316 Ca -0.10 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.15 2kr6 n ASN 316 Cb 0.52 2.68 -0.03 0.00 -0.61 0.00 0.00 39.78 42.34 2kr6 n ASN 316 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kr6 n ALA 317 N -3.10 -2.05 -3.56 5.41 0.00 -1.26 -4.87 120.51 111.09 2kr6 n ALA 317 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 2kr6 n ALA 317 Cb 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 2kr6 n ALA 317 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kr6 s GLU 318 N -1.33 0.13 -0.23 0.00 2.02 -1.26 -5.13 118.70 112.90 2kr6 s GLU 318 Ca 0.00 0.22 -0.12 0.00 0.02 0.00 0.00 54.97 55.10 2kr6 s GLU 318 Cb 0.00 -1.14 0.08 0.00 0.10 0.00 0.00 34.13 33.17 2kr6 s GLU 318 CO 0.00 -0.58 0.54 -1.12 0.02 0.00 0.00 175.26 174.12 2kr6 s SER 319 N 2.28 -0.71 -0.25 -0.19 0.01 -1.26 -5.16 113.70 108.41 2kr6 s SER 319 Ca 0.05 1.21 -0.34 0.00 1.31 0.00 0.00 55.95 58.18 2kr6 s SER 319 Cb -0.15 1.21 0.16 0.00 0.21 0.00 0.00 66.02 67.46 2kr6 s SER 319 CO -0.10 -0.22 1.30 0.28 0.41 0.00 0.00 173.24 174.91 2kr6 s THR 320 N 1.77 0.00 0.13 1.44 -1.32 -1.26 -5.19 115.64 111.21 2kr6 s THR 320 Ca -0.09 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 2kr6 s THR 320 Cb -0.08 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2kr6 s THR 320 CO -0.16 0.00 0.01 -1.61 -2.21 0.00 0.00 174.62 170.65 2kr6 s GLU 321 N -1.77 0.94 -0.29 7.08 2.02 -1.26 -5.17 118.70 120.25 2kr6 s GLU 321 Ca 0.09 -1.43 -0.24 0.00 0.02 0.00 0.00 54.97 53.41 2kr6 s GLU 321 Cb -0.01 0.03 0.17 0.00 0.10 0.00 0.00 34.13 34.41 2kr6 s GLU 321 CO -0.05 -0.17 1.28 0.50 0.02 0.00 0.00 175.26 176.84 2kr6 s ARG 322 N -3.97 0.22 -0.05 1.61 6.06 -1.26 -5.19 118.95 116.38 2kr6 s ARG 322 Ca 0.21 0.27 -0.29 0.00 -2.50 0.00 0.00 55.73 53.41 2kr6 s ARG 322 Cb 0.07 0.10 0.11 0.00 0.06 0.00 0.00 34.95 35.29 2kr6 s ARG 322 CO 0.00 -0.03 0.90 -1.83 -2.50 0.00 0.00 175.30 171.84 2kr6 s GLU 323 N 0.20 0.78 -0.29 5.12 -1.05 -1.26 -5.17 118.70 117.03 2kr6 s GLU 323 Ca 0.05 -0.14 -0.14 0.00 -0.15 0.00 0.00 54.97 54.58 2kr6 s GLU 323 Cb -0.05 0.36 0.12 0.00 -0.44 0.00 0.00 34.13 34.13 2kr6 s GLU 323 CO -0.12 -0.31 0.79 -1.12 0.95 0.00 0.00 175.26 175.45 2kr6 s SER 324 N -2.01 -0.85 -0.30 0.83 0.01 -1.26 -5.15 113.70 104.97 2kr6 s SER 324 Ca 0.02 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.39 2kr6 s SER 324 Cb -0.01 1.66 0.16 0.00 0.21 0.00 0.00 66.02 68.05 2kr6 s SER 324 CO -0.05 -0.19 0.98 -1.58 0.41 0.00 0.00 173.24 172.81 2kr6 s GLN 325 N 2.08 0.30 -0.30 12.44 0.74 -1.26 -5.15 119.66 128.51 2kr6 s GLN 325 Ca -0.07 0.76 -0.16 0.00 0.05 0.00 0.00 55.36 55.94 2kr6 s GLN 325 Cb -0.07 0.46 0.18 0.00 1.10 0.00 0.00 33.01 34.68 2kr6 s GLN 325 CO -0.18 -0.10 1.11 0.34 -0.55 0.00 0.00 175.29 175.90 2kr6 s ASP 326 N 2.46 -0.36 -0.29 6.67 -1.08 -1.26 -5.17 116.67 117.65 2kr6 s ASP 326 Ca -0.03 0.36 -0.19 0.00 -0.52 0.00 0.00 52.55 52.17 2kr6 s ASP 326 Cb -0.06 1.36 0.13 0.00 -1.46 0.00 0.00 42.92 42.88 2kr6 s ASP 326 CO -0.18 -0.07 0.97 0.28 0.52 0.00 0.00 175.17 176.69 2kr6 s THR 327 N 2.57 0.00 0.25 1.71 -1.32 -1.26 -5.18 115.64 112.40 2kr6 s THR 327 Ca -0.02 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 2kr6 s THR 327 Cb -0.06 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2kr6 s THR 327 CO -0.14 0.00 0.06 1.33 -2.21 0.00 0.00 174.62 173.66 2kr6 n VAL 328 N 3.23 0.00 -3.64 5.08 0.24 -1.26 -5.17 118.33 116.81 2kr6 n VAL 328 Ca -0.17 -1.34 -0.06 0.00 -2.04 0.00 0.00 64.34 60.74 2kr6 n VAL 328 Cb 0.57 0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 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 -2.58 -2.11 0.35 2.33 0.00 -1.26 -5.18 121.76 113.30 2kr6 s ALA 329 Ca 0.08 2.02 0.04 0.00 0.00 0.00 0.00 51.96 54.10 2kr6 s ALA 329 Cb 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.60 2kr6 s ALA 329 CO 0.06 -0.28 0.36 -0.85 0.00 0.00 0.00 175.76 175.05 2kr6 n GLU 330 N 2.86 0.89 -1.02 0.00 0.00 -1.26 -5.07 120.64 117.04 2kr6 n GLU 330 Ca -0.15 -2.05 -0.00 0.00 0.00 0.00 0.00 57.16 54.96 2kr6 n GLU 330 Cb 0.57 0.07 -0.01 0.00 0.00 0.00 0.00 31.44 32.06 2kr6 n GLU 330 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2kr6 n ASN 331 N -2.19 0.14 -2.65 -1.84 2.85 -1.26 -5.08 115.26 105.23 2kr6 n ASN 331 Ca 0.04 -1.86 -0.04 0.00 -0.11 0.00 0.00 54.58 52.61 2kr6 n ASN 331 Cb 0.38 -0.08 -0.03 0.00 1.24 0.00 0.00 39.78 41.29 2kr6 n ASN 331 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kr6 n ASP 332 N 0.20 -3.45 -0.05 1.20 9.92 -1.26 -5.01 116.55 118.10 2kr6 n ASP 332 Ca -0.05 1.39 -0.02 0.00 -0.53 0.00 0.00 54.79 55.58 2kr6 n ASP 332 Cb 0.85 -5.33 -0.01 0.00 -0.64 0.00 0.00 41.12 35.99 2kr6 n ASP 332 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kr6 h ASP 333 N 3.69 0.00 -3.25 -2.24 3.58 -2.04 -3.51 116.42 112.64 2kr6 h ASP 333 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2kr6 h ASP 333 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2kr6 h ASP 333 CO 0.05 0.53 0.00 0.61 -2.88 0.00 0.00 179.24 177.55 2kr6 n GLY 334 N 1.71 3.09 0.00 -0.78 0.00 -1.26 -5.18 105.19 102.77 2kr6 n GLY 334 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.81 4.14 3.33 -0.02 0.00 -1.26 -5.17 105.19 104.40 2kr6 n GLY 335 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -0.39 -0.29 1.61 5.36 -1.26 -5.17 117.98 117.84 2kr6 s PHE 336 Ca 0.00 0.69 -0.17 0.00 -0.96 0.00 0.00 56.93 56.48 2kr6 s PHE 336 Cb 0.00 0.24 0.18 0.00 -0.34 0.00 0.00 43.02 43.09 2kr6 s PHE 336 CO 0.00 -0.19 1.15 -1.12 -1.46 0.00 0.00 175.22 173.59 2kr6 s SER 337 N 2.17 -0.27 -0.30 6.13 0.01 -1.26 -5.16 113.70 115.03 2kr6 s SER 337 Ca -0.02 0.43 -0.17 0.00 1.31 0.00 0.00 55.95 57.51 2kr6 s SER 337 Cb -0.03 1.01 0.18 0.00 0.21 0.00 0.00 66.02 67.38 2kr6 s SER 337 CO -0.16 -0.07 1.15 -0.70 0.41 0.00 0.00 173.24 173.87 2kr6 s GLU 338 N 1.02 0.13 -0.30 12.44 2.12 -1.26 -5.16 118.70 127.70 2kr6 s GLU 338 Ca -0.06 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 55.39 2kr6 s GLU 338 Cb -0.03 0.18 0.20 0.00 0.26 0.00 0.00 34.13 34.74 2kr6 s GLU 338 CO -0.12 -0.08 1.27 -2.00 -0.54 0.00 0.00 175.26 173.79 2kr6 s GLU 339 N 2.50 0.04 0.09 4.30 2.12 -1.26 -5.12 118.70 121.37 2kr6 s GLU 339 Ca -0.02 0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.16 2kr6 s GLU 339 Cb -0.05 0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.43 2kr6 s GLU 339 CO -0.14 -0.01 0.57 -1.58 -0.54 0.00 0.00 175.26 173.56 2kr6 s TRP 340 N 1.50 -0.49 0.12 5.30 0.52 -1.26 -5.14 118.94 119.48 2kr6 s TRP 340 Ca -0.04 0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.54 2kr6 s TRP 340 Cb -0.02 0.44 0.00 0.00 -1.15 0.00 0.00 33.47 32.75 2kr6 s TRP 340 CO -0.13 -0.73 0.00 -1.91 0.02 0.00 0.00 176.95 174.20 2kr6 n GLU 341 N 0.08 -1.04 -4.36 4.98 2.13 -1.26 -4.90 120.64 116.28 2kr6 n GLU 341 Ca -0.18 0.69 -0.27 0.00 0.66 0.00 0.00 57.16 58.06 2kr6 n GLU 341 Cb 0.62 -1.27 -0.11 0.00 0.27 0.00 0.00 31.44 30.95 2kr6 n GLU 341 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kr6 s ALA 342 N -1.95 2.70 -0.04 4.31 0.00 -1.26 -5.06 121.76 120.46 2kr6 s ALA 342 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 2kr6 s ALA 342 Cb 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 23.12 22.42 2kr6 s ALA 342 CO 0.00 0.47 1.01 1.96 0.00 0.00 0.00 175.76 179.20 2kr6 h GLN 343 N 3.22 -0.18 -0.37 0.00 7.50 -1.87 -3.19 115.11 120.22 2kr6 h GLN 343 Ca -0.47 0.01 0.09 0.00 0.50 0.00 0.00 58.65 58.78 2kr6 h GLN 343 Cb 1.20 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.75 2kr6 h GLN 343 CO 0.49 0.28 0.26 -0.09 -1.50 0.00 0.00 178.83 178.27 2kr6 h ARG 344 N -0.77 0.10 -5.61 1.46 2.43 -1.93 -3.37 114.38 106.69 2kr6 h ARG 344 Ca -0.02 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 2kr6 h ARG 344 Cb 0.54 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2kr6 h ARG 344 CO 0.03 0.07 0.57 -0.51 -1.51 0.00 0.00 179.97 178.62 2kr6 s ASP 345 N -6.51 4.82 -1.10 -3.80 1.11 -1.21 -4.84 116.67 105.14 2kr6 s ASP 345 Ca -0.06 -0.56 -0.04 0.00 0.18 0.00 0.00 52.55 52.07 2kr6 s ASP 345 Cb 0.19 -2.56 0.29 0.00 1.07 0.00 0.00 42.92 41.91 2kr6 s ASP 345 CO 0.72 -3.06 1.62 -0.24 1.18 0.00 0.00 175.17 175.39 2kr6 n SER 346 N 15.18 6.52 -2.95 0.27 2.88 -1.26 -4.80 113.62 129.47 2kr6 n SER 346 Ca 0.42 -3.43 -0.09 0.00 -1.33 0.00 0.00 58.87 54.44 2kr6 n SER 346 Cb 0.46 -1.28 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 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 1.33 -3.14 -1.25 0.66 -0.00 -1.26 -4.80 115.22 106.76 2kr6 n HIS 347 Ca 0.32 1.33 0.16 0.00 0.46 0.00 0.00 57.72 59.98 2kr6 n HIS 347 Cb 0.32 -3.36 -0.07 0.00 -0.12 0.00 0.00 29.99 26.76 2kr6 n HIS 347 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kr6 n LEU 348 N 0.23 -0.82 -4.42 0.27 4.77 -1.26 -5.02 117.00 110.75 2kr6 n LEU 348 Ca 0.04 1.89 -0.21 0.00 -0.03 0.00 0.00 56.01 57.69 2kr6 n LEU 348 Cb 0.35 -3.48 -0.10 0.00 -2.33 0.00 0.00 43.42 37.86 2kr6 n LEU 348 CO 0.43 -2.30 -0.24 -0.83 -1.33 0.00 0.00 177.39 173.12 2kr6 s GLY 349 N -6.90 2.13 0.60 -0.72 0.00 -1.26 -5.02 107.32 96.15 2kr6 s GLY 349 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 44.72 42.86 2kr6 s GLY 349 CO 0.00 -1.74 0.53 -1.55 0.00 0.00 0.00 173.10 170.34 2kr6 n PRO 350 N -0.68 -2.06 0.00 2.90 -0.04 -1.26 -5.04 135.00 128.82 2kr6 n PRO 350 Ca -0.02 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 2kr6 n PRO 350 Cb 0.66 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 2kr6 n PRO 350 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kr6 n HIS 351 N -3.65 0.00 -1.55 0.54 8.25 -1.26 -5.08 115.22 112.47 2kr6 n HIS 351 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.24 2kr6 n HIS 351 Cb 0.28 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.59 2kr6 n HIS 351 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kr6 s ARG 352 N -1.84 0.08 -0.24 -0.41 0.52 -1.26 -5.07 118.95 110.73 2kr6 s ARG 352 Ca 0.00 -0.15 -0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2kr6 s ARG 352 Cb 0.00 -1.76 0.08 0.00 0.52 0.00 0.00 34.95 33.79 2kr6 s ARG 352 CO 0.00 -2.83 0.06 0.45 0.02 0.00 0.00 175.30 173.00 2kr6 s SER 353 N -4.37 3.42 0.26 0.23 0.15 -1.26 -5.13 113.70 107.00 2kr6 s SER 353 Ca 0.71 -1.16 0.10 0.00 0.70 0.00 0.00 55.95 56.29 2kr6 s SER 353 Cb -0.08 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 2kr6 s SER 353 CO 0.54 -0.35 -0.03 0.42 1.20 0.00 0.00 173.24 175.02 2kr6 s THR 354 N 1.75 3.34 -0.71 6.45 -4.23 -1.26 -5.06 115.64 115.93 2kr6 s THR 354 Ca 0.03 -1.94 -0.26 0.00 -1.18 0.00 0.00 61.69 58.34 2kr6 s THR 354 Cb -0.17 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 2kr6 s THR 354 CO -0.16 -0.36 1.89 -2.16 -0.54 0.00 0.00 174.62 173.30 2kr6 s PRO 355 N -3.60 2.60 0.59 3.99 0.04 -1.26 -4.82 135.00 132.54 2kr6 s PRO 355 Ca 0.31 0.32 0.29 0.00 0.04 0.00 0.00 61.00 61.96 2kr6 s PRO 355 Cb -0.06 -4.61 1.64 0.00 0.04 0.00 0.00 34.50 31.51 2kr6 s PRO 355 CO 0.19 -2.95 2.08 1.05 0.04 0.00 0.00 177.00 177.41 2kr6 h GLU 356 N 13.80 0.00 0.68 4.56 4.11 -1.97 0.18 114.58 135.95 2kr6 h GLU 356 Ca -0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 2kr6 h GLU 356 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kr6 h GLU 356 CO 1.22 0.00 -0.34 0.77 0.07 0.00 0.00 179.01 180.73 2kr6 h SER 357 N 0.00 -0.81 0.53 3.06 0.02 -2.00 0.19 113.55 114.55 2kr6 h SER 357 Ca 0.10 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 2kr6 h SER 357 Cb 0.57 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kr6 h SER 357 CO -0.00 -0.56 -0.75 0.03 -1.14 0.00 0.00 176.83 174.41 2kr6 h ARG 358 N -0.93 0.18 -0.06 3.45 3.08 -1.90 -3.12 114.38 115.08 2kr6 h ARG 358 Ca -0.09 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 2kr6 h ARG 358 Cb 0.71 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2kr6 h ARG 358 CO 0.15 0.84 0.03 0.00 -1.07 0.00 0.00 179.97 179.92 2kr6 h ALA 359 N 1.11 0.08 0.20 0.04 0.00 -0.65 0.24 119.26 120.28 2kr6 h ALA 359 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kr6 h ALA 359 Cb 1.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2kr6 h ALA 359 CO 0.11 -0.36 -0.24 0.00 0.00 0.00 0.00 179.25 178.77 2kr6 h ALA 360 N 0.89 -0.46 -0.64 0.00 0.00 -0.66 0.12 119.26 118.50 2kr6 h ALA 360 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kr6 h ALA 360 Cb 0.14 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2kr6 h ALA 360 CO -0.00 -0.80 0.24 -0.39 0.00 0.00 0.00 179.25 178.30 2kr6 h VAL 361 N -0.49 1.23 0.41 0.00 -1.51 -1.52 0.27 116.25 114.65 2kr6 h VAL 361 Ca 0.01 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 64.72 2kr6 h VAL 361 Cb 0.47 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2kr6 h VAL 361 CO -0.08 0.29 -0.20 1.56 -1.23 0.00 0.00 177.57 177.91 2kr6 h GLN 362 N 0.93 -0.54 -0.09 5.19 1.08 -0.09 0.19 115.11 121.79 2kr6 h GLN 362 Ca 0.22 0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.36 2kr6 h GLN 362 Cb 0.21 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2kr6 h GLN 362 CO -0.02 -0.29 -0.37 1.49 -0.95 0.00 0.00 178.83 178.69 2kr6 h GLU 363 N -0.68 0.18 -0.08 1.46 4.81 -0.68 -2.50 114.58 117.08 2kr6 h GLU 363 Ca -0.06 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2kr6 h GLU 363 Cb 0.49 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kr6 h GLU 363 CO 0.09 0.53 0.00 -0.07 -0.73 0.00 0.00 179.01 178.84 2kr6 h LEU 364 N 0.15 0.14 -0.18 1.64 3.38 -0.31 0.15 115.31 120.28 2kr6 h LEU 364 Ca 0.02 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2kr6 h LEU 364 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kr6 h LEU 364 CO 0.06 0.40 0.10 -1.28 0.09 0.00 0.00 178.44 177.81 2kr6 h SER 365 N -0.12 0.21 0.76 -0.43 0.87 -0.89 -2.07 113.55 111.89 2kr6 h SER 365 Ca 0.02 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2kr6 h SER 365 Cb 0.32 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kr6 h SER 365 CO 0.00 0.21 -0.15 -1.28 -0.53 0.00 0.00 176.83 175.08 2kr6 h SER 366 N 0.20 0.00 -0.24 6.23 0.87 -1.44 0.53 113.55 119.71 2kr6 h SER 366 Ca 0.06 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2kr6 h SER 366 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2kr6 h SER 366 CO -0.01 0.15 -0.19 -1.28 -0.53 0.00 0.00 176.83 174.97 2kr6 h SER 367 N 0.00 0.58 0.00 6.23 0.87 -0.04 -3.40 113.55 117.79 2kr6 h SER 367 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2kr6 h SER 367 Cb 0.58 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kr6 h SER 367 CO 0.02 0.91 0.00 0.00 -0.53 0.00 0.00 176.83 177.23 2kr6 n ILE 368 N -4.41 0.00 0.00 2.23 3.06 -0.87 -3.19 119.36 116.18 2kr6 n ILE 368 Ca -0.05 0.39 0.00 0.00 -2.50 0.00 0.00 62.75 60.60 2kr6 n ILE 368 Cb 0.40 -1.25 0.00 0.00 0.54 0.00 0.00 39.64 39.33 2kr6 n ILE 368 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kr6 n LEU 369 N -1.89 0.02 0.00 9.51 4.77 -0.40 -4.97 117.00 124.05 2kr6 n LEU 369 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2kr6 n LEU 369 Cb 0.00 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kr6 n LEU 369 CO 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 177.39 175.55 2kr6 n ALA 370 N -2.54 0.00 -2.77 -1.18 0.00 0.17 -4.60 120.51 109.59 2kr6 n ALA 370 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2kr6 n ALA 370 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.00 0.59 -0.20 0.00 0.00 -1.26 -4.33 107.32 102.12 2kr6 s GLY 371 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 2kr6 s GLY 371 CO 0.00 -0.74 0.24 -2.21 0.00 0.00 0.00 173.10 170.39 2kr6 n GLU 372 N 1.79 -4.58 -4.26 2.90 4.07 -1.26 -4.98 120.64 114.31 2kr6 n GLU 372 Ca -0.20 3.46 -0.17 0.00 -0.06 0.00 0.00 57.16 60.18 2kr6 n GLU 372 Cb 0.55 -5.16 -0.11 0.00 -0.06 0.00 0.00 31.44 26.67 2kr6 n GLU 372 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2kr6 s ASP 373 N -0.76 2.09 0.84 4.31 1.47 -1.26 -4.92 116.67 118.43 2kr6 s ASP 373 Ca -0.27 -0.89 0.00 0.00 1.18 0.00 0.00 52.55 52.57 2kr6 s ASP 373 Cb 0.02 -0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.53 2kr6 s ASP 373 CO 0.81 -0.18 0.00 -0.81 0.68 0.00 0.00 175.17 175.67 2kr6 n PRO 374 N 0.23 -0.69 -0.71 2.11 -0.04 -1.26 -4.95 135.00 129.70 2kr6 n PRO 374 Ca -0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2kr6 n PRO 374 Cb 0.58 0.00 0.35 0.00 -0.04 0.00 0.00 33.50 34.40 2kr6 n PRO 374 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kr6 n GLU 375 N -1.26 4.13 0.00 0.54 4.07 -1.26 -4.98 120.64 121.87 2kr6 n GLU 375 Ca 0.00 -2.99 0.00 0.00 -0.06 0.00 0.00 57.16 54.11 2kr6 n GLU 375 Cb 0.00 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 2kr6 n GLU 375 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2kr6 n GLU 376 N 0.50 -1.07 -0.05 5.31 4.07 -1.26 -5.06 120.64 123.08 2kr6 n GLU 376 Ca 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2kr6 n GLU 376 Cb 1.03 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.41 2kr6 n GLU 376 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2kr6 n ARG 377 N -1.51 0.12 -0.98 5.31 3.00 -1.26 -4.94 116.66 116.40 2kr6 n ARG 377 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 2kr6 n ARG 377 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 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 5.00 4.42 2.61 5.14 0.00 -1.26 -4.77 105.19 116.33 2kr6 n GLY 378 Ca 0.00 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 2kr6 n GLY 378 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kr6 s VAL 379 N -2.86 0.00 -0.28 1.61 -7.23 -1.26 -4.97 120.40 105.41 2kr6 s VAL 379 Ca 0.40 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 2kr6 s VAL 379 Cb 0.32 -0.75 0.05 0.00 0.56 0.00 0.00 36.38 36.56 2kr6 s VAL 379 CO 0.01 -0.39 1.00 1.17 -0.31 0.00 0.00 175.10 176.58 2kr6 n LYS 380 N 5.24 0.14 -2.24 4.82 4.81 -1.26 -4.92 118.16 124.75 2kr6 n LYS 380 Ca -0.07 -0.60 -0.29 0.00 -0.87 0.00 0.00 58.31 56.49 2kr6 n LYS 380 Cb 0.47 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.53 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 -0.48 5.32 0.00 3.14 0.00 -1.19 -3.50 117.00 120.29 2kr6 n LEU 381 Ca -0.26 -5.02 0.00 0.00 0.00 0.00 0.00 56.01 50.74 2kr6 n LEU 381 Cb 0.63 -0.55 0.00 0.00 0.00 0.00 0.00 43.42 43.50 2kr6 n LEU 381 CO -0.10 2.10 0.00 0.61 0.00 0.00 0.00 177.39 180.00 2kr6 n GLY 382 N -0.56 2.20 0.14 -3.96 0.00 -1.26 -4.42 105.19 97.32 2kr6 n GLY 382 Ca 0.43 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.77 2kr6 n GLY 382 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kr6 h LEU 383 N 0.00 0.00 0.00 0.99 8.10 -1.93 0.45 115.31 122.92 2kr6 h LEU 383 Ca 0.00 -0.01 -0.16 0.00 0.11 0.00 0.00 57.88 57.82 2kr6 h LEU 383 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2kr6 h LEU 383 CO 0.00 0.00 -1.37 0.61 -4.11 0.00 0.00 178.44 173.57 2kr6 n GLY 384 N 1.24 -0.27 0.03 0.17 0.00 -1.26 -4.48 105.19 100.62 2kr6 n GLY 384 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.55 0.00 -0.35 1.61 1.82 -1.93 -3.33 116.42 113.69 2kr6 h ASP 385 Ca -0.24 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.50 2kr6 h ASP 385 Cb 1.04 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 2kr6 h ASP 385 CO -0.15 0.34 0.41 0.15 -1.61 0.00 0.00 179.24 178.38 2kr6 h PHE 386 N -0.54 0.00 0.00 0.28 3.04 -1.75 0.34 116.94 118.31 2kr6 h PHE 386 Ca 0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2kr6 h PHE 386 Cb 0.14 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 2kr6 h PHE 386 CO -0.06 0.00 -0.33 0.97 -2.02 0.00 0.00 178.31 176.88 2kr6 h ILE 387 N 0.00 1.14 0.23 1.41 6.09 -0.24 0.50 117.51 126.63 2kr6 h ILE 387 Ca 0.17 -1.15 -0.31 0.00 -1.37 0.00 0.00 64.86 62.19 2kr6 h ILE 387 Cb 0.99 1.64 0.03 0.00 0.47 0.00 0.00 36.82 39.95 2kr6 h ILE 387 CO -0.00 0.32 -1.40 0.15 -3.07 0.00 0.00 178.15 174.15 2kr6 h PHE 388 N 0.00 0.87 0.04 2.19 3.04 -0.43 -2.34 116.94 120.31 2kr6 h PHE 388 Ca -0.00 -0.63 -0.23 0.00 3.98 0.00 0.00 57.97 61.09 2kr6 h PHE 388 Cb 0.61 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 2kr6 h PHE 388 CO 0.00 1.54 -1.00 -0.92 -2.02 0.00 0.00 178.31 175.91 2kr6 h TYR 389 N 0.04 0.40 -0.09 0.41 3.20 -1.38 -1.82 116.97 117.73 2kr6 h TYR 389 Ca -0.25 -0.24 -0.22 0.00 3.14 0.00 0.00 58.73 61.16 2kr6 h TYR 389 Cb 2.06 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 40.30 2kr6 h TYR 389 CO 0.14 1.10 -0.81 1.03 -1.64 0.00 0.00 178.16 177.98 2kr6 h SER 390 N 0.12 0.75 0.55 -2.11 0.87 -0.11 -2.57 113.55 111.04 2kr6 h SER 390 Ca -0.07 -0.52 -0.20 0.00 -1.23 0.00 0.00 61.79 59.77 2kr6 h SER 390 Cb 1.67 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2kr6 h SER 390 CO 0.16 1.30 -0.87 0.58 -0.53 0.00 0.00 176.83 177.47 2kr6 h VAL 391 N 0.41 1.48 0.27 2.23 2.07 -1.48 0.49 116.25 121.72 2kr6 h VAL 391 Ca -0.06 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 2kr6 h VAL 391 Cb 1.43 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 2kr6 h VAL 391 CO 0.16 0.75 -0.13 0.25 0.02 0.00 0.00 177.57 178.61 2kr6 h LEU 392 N 0.12 -0.31 0.03 2.57 5.85 -1.34 -2.32 115.31 119.91 2kr6 h LEU 392 Ca -0.04 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 2kr6 h LEU 392 Cb 1.49 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2kr6 h LEU 392 CO 0.13 0.06 -0.42 0.58 -0.34 0.00 0.00 178.44 178.45 2kr6 h VAL 393 N -0.71 1.56 -0.69 1.05 2.07 -1.56 -2.22 116.25 115.76 2kr6 h VAL 393 Ca -0.04 -2.35 0.14 0.00 0.82 0.00 0.00 66.70 65.27 2kr6 h VAL 393 Cb 0.49 3.13 -0.10 0.00 -1.52 0.00 0.00 31.29 33.29 2kr6 h VAL 393 CO 0.06 0.58 0.17 1.23 0.02 0.00 0.00 177.57 179.64 2kr6 h GLY 394 N -0.83 0.94 1.75 2.17 0.00 -0.15 -1.03 103.07 105.91 2kr6 h GLY 394 Ca -0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 2kr6 h GLY 394 CO -0.01 -0.16 -1.08 1.70 0.00 0.00 0.00 176.54 177.00 2kr6 h LYS 395 N 0.29 0.20 -0.07 4.80 1.63 -1.50 -2.22 116.57 119.70 2kr6 h LYS 395 Ca 0.38 -0.29 0.04 0.00 -0.85 0.00 0.00 60.65 59.92 2kr6 h LYS 395 Cb 0.61 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 2kr6 h LYS 395 CO -0.46 1.10 -0.27 0.00 -3.45 0.00 0.00 179.45 176.37 2kr6 h ALA 396 N 0.79 -0.31 0.00 5.00 0.00 -0.56 0.25 119.26 124.43 2kr6 h ALA 396 Ca -0.08 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kr6 h ALA 396 Cb 1.78 0.49 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2kr6 h ALA 396 CO 0.17 -0.75 -0.23 0.77 0.00 0.00 0.00 179.25 179.21 2kr6 h SER 397 N -0.37 0.20 0.08 0.00 0.02 -1.44 0.30 113.55 112.34 2kr6 h SER 397 Ca 0.08 -0.79 0.01 0.00 -0.84 0.00 0.00 61.79 60.25 2kr6 h SER 397 Cb 0.49 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2kr6 h SER 397 CO -0.28 0.97 -0.45 0.00 -1.14 0.00 0.00 176.83 175.92 2kr6 h ALA 398 N 0.24 -0.92 0.28 3.77 0.00 -1.31 -3.00 119.26 118.31 2kr6 h ALA 398 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kr6 h ALA 398 Cb 1.00 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2kr6 h ALA 398 CO 0.05 -1.04 -0.52 1.15 0.00 0.00 0.00 179.25 178.89 2kr6 h THR 399 N -0.63 0.01 0.00 0.00 2.02 -0.64 -3.44 112.91 110.23 2kr6 h THR 399 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kr6 h THR 399 Cb 0.64 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2kr6 h THR 399 CO -0.26 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.63 2kr6 n ALA 400 N -2.88 0.00 0.00 6.16 0.00 -1.09 -5.00 120.51 117.69 2kr6 n ALA 400 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kr6 n ALA 400 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kr6 n ALA 400 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2kr6 n SER 401 N -2.58 0.00 -4.75 0.00 3.41 0.99 -4.64 113.62 106.04 2kr6 n SER 401 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2kr6 n SER 401 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2kr6 n SER 401 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kr6 s GLY 402 N 0.00 2.08 -0.30 5.00 0.00 -0.82 -4.92 107.32 108.36 2kr6 s GLY 402 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.33 2kr6 s GLY 402 CO 0.00 0.94 1.45 2.09 0.00 0.00 0.00 173.10 177.58 2kr6 n ASP 403 N -2.79 -1.00 0.00 1.64 5.68 -1.26 -4.61 116.55 114.22 2kr6 n ASP 403 Ca 0.11 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 2kr6 n ASP 403 Cb 0.52 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.47 2kr6 n ASP 403 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 2kr6 n TRP 404 N 0.56 -0.07 0.00 2.11 -0.00 -1.26 -5.09 117.44 113.69 2kr6 n TRP 404 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.43 2kr6 n TRP 404 Cb 0.77 0.30 0.00 0.00 -0.00 0.00 0.00 31.31 32.38 2kr6 n TRP 404 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2kr6 n ASN 405 N -1.90 0.00 0.08 5.87 3.02 -1.26 -4.91 115.26 116.16 2kr6 n ASN 405 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 2kr6 n ASN 405 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2kr6 n ASN 405 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2kr6 h THR 406 N 0.00 0.11 0.13 3.41 1.35 -1.98 0.25 112.91 116.18 2kr6 h THR 406 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 2kr6 h THR 406 Cb 0.00 0.11 0.01 0.00 -1.73 0.00 0.00 68.15 66.55 2kr6 h THR 406 CO 0.00 0.00 -0.93 0.71 -0.25 0.00 0.00 175.52 175.05 2kr6 h THR 407 N -0.63 1.40 0.16 6.82 1.35 -1.98 -3.12 112.91 116.90 2kr6 h THR 407 Ca 0.03 -2.49 -0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2kr6 h THR 407 Cb 0.69 3.08 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 2kr6 h THR 407 CO -0.30 0.70 -0.16 0.40 -0.25 0.00 0.00 175.52 175.91 2kr6 h ILE 408 N -0.40 0.00 -0.86 6.82 1.08 -1.90 -0.19 117.51 122.06 2kr6 h ILE 408 Ca -0.18 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.53 2kr6 h ILE 408 Cb 1.64 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 2kr6 h ILE 408 CO 0.12 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 178.18 2kr6 h ALA 409 N -1.48 2.68 0.39 1.87 0.00 -0.70 -1.35 119.26 120.67 2kr6 h ALA 409 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kr6 h ALA 409 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kr6 h ALA 409 CO -0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 179.25 178.11 2kr6 h PHE 411 N -0.79 -0.89 -0.70 0.00 0.04 0.02 -2.04 116.94 112.57 2kr6 h PHE 411 Ca -0.05 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.85 2kr6 h PHE 411 Cb 0.53 0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 2kr6 h PHE 411 CO 0.01 -0.48 0.47 -0.39 -0.60 0.00 0.00 178.31 177.31 2kr6 h VAL 412 N -0.73 0.82 0.02 -0.55 -1.51 -1.42 -1.74 116.25 111.14 2kr6 h VAL 412 Ca -0.03 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2kr6 h VAL 412 Cb 0.64 0.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2kr6 h VAL 412 CO -0.03 0.07 -0.02 0.00 -1.23 0.00 0.00 177.57 176.36 2kr6 h ALA 413 N 1.66 -0.04 -0.40 5.19 0.00 -0.43 -2.34 119.26 122.90 2kr6 h ALA 413 Ca 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2kr6 h ALA 413 Cb 0.77 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kr6 h ALA 413 CO -0.10 -0.53 0.15 0.82 0.00 0.00 0.00 179.25 179.60 2kr6 h ILE 414 N -0.05 1.16 -0.36 0.00 2.04 -0.89 -2.55 117.51 116.86 2kr6 h ILE 414 Ca 0.00 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.36 2kr6 h ILE 414 Cb 0.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2kr6 h ILE 414 CO -0.01 0.19 0.23 -0.07 0.00 0.00 0.00 178.15 178.49 2kr6 h LEU 415 N 0.57 0.40 0.04 1.44 -0.00 -0.97 0.17 115.31 116.95 2kr6 h LEU 415 Ca 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2kr6 h LEU 415 Cb 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kr6 h LEU 415 CO -0.01 0.29 -0.02 0.40 -0.00 0.00 0.00 178.44 179.09 2kr6 h ILE 416 N 0.47 1.04 0.36 1.22 1.08 -1.08 0.17 117.51 120.77 2kr6 h ILE 416 Ca 0.13 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2kr6 h ILE 416 Cb -0.04 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2kr6 h ILE 416 CO -0.04 0.07 -0.24 1.23 -0.69 0.00 0.00 178.15 178.48 2kr6 h GLY 417 N -0.17 -0.61 1.89 5.37 0.00 -1.31 -2.25 103.07 105.98 2kr6 h GLY 417 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2kr6 h GLY 417 CO 0.01 -0.24 -0.07 0.17 0.00 0.00 0.00 176.54 176.41 2kr6 h LEU 418 N -0.59 0.13 -0.35 3.11 8.10 -0.97 -2.65 115.31 122.08 2kr6 h LEU 418 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.94 2kr6 h LEU 418 Cb 0.49 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.66 2kr6 h LEU 418 CO 0.02 0.23 0.23 0.00 -4.11 0.00 0.00 178.44 174.81 2kr6 h LEU 420 N 0.47 -1.04 0.49 0.00 6.46 -1.05 0.31 115.31 120.96 2kr6 h LEU 420 Ca 0.13 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2kr6 h LEU 420 Cb -0.04 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2kr6 h LEU 420 CO -0.03 -0.48 -0.23 0.71 -0.62 0.00 0.00 178.44 177.79 2kr6 h THR 421 N -0.67 0.44 -0.91 1.05 1.35 -1.51 -2.50 112.91 110.15 2kr6 h THR 421 Ca 0.00 -0.37 0.26 0.00 -0.55 0.00 0.00 66.41 65.75 2kr6 h THR 421 Cb 0.65 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 2kr6 h THR 421 CO -0.14 0.05 0.65 0.25 -0.25 0.00 0.00 175.52 176.08 2kr6 h LEU 422 N -0.90 0.03 0.16 3.87 6.46 -0.12 -0.88 115.31 123.92 2kr6 h LEU 422 Ca -0.07 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2kr6 h LEU 422 Cb 0.59 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2kr6 h LEU 422 CO 0.11 0.01 -0.08 0.25 -0.62 0.00 0.00 178.44 178.11 2kr6 h LEU 423 N 0.03 -0.18 -1.53 2.25 6.46 -0.15 0.36 115.31 122.54 2kr6 h LEU 423 Ca 0.44 -0.32 0.19 0.00 -0.12 0.00 0.00 57.88 58.07 2kr6 h LEU 423 Cb 1.70 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.61 2kr6 h LEU 423 CO -0.02 0.26 0.58 -0.07 -0.62 0.00 0.00 178.44 178.57 2kr6 h LEU 424 N -0.68 0.40 0.00 2.25 3.38 -0.73 0.33 115.31 120.26 2kr6 h LEU 424 Ca -0.02 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 2kr6 h LEU 424 Cb 0.49 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2kr6 h LEU 424 CO 0.04 0.17 -1.29 -0.07 0.09 0.00 0.00 178.44 177.38 2kr6 h LEU 425 N 0.41 0.00 -0.61 1.67 3.38 -1.37 -2.51 115.31 116.27 2kr6 h LEU 425 Ca 0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 2kr6 h LEU 425 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2kr6 h LEU 425 CO -0.16 0.79 -0.42 0.00 0.09 0.00 0.00 178.44 178.74 2kr6 h ALA 426 N 1.21 0.87 0.00 1.53 0.00 0.22 -2.12 119.26 120.97 2kr6 h ALA 426 Ca -0.15 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 2kr6 h ALA 426 Cb 1.74 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 2kr6 h ALA 426 CO 0.08 0.53 -1.89 -0.89 0.00 0.00 0.00 179.25 177.07 2kr6 n ILE 427 N -3.41 1.25 0.11 0.00 5.41 0.91 -4.18 119.36 119.45 2kr6 n ILE 427 Ca 0.01 -0.76 -0.07 0.00 1.00 0.00 0.00 62.75 62.93 2kr6 n ILE 427 Cb 0.59 -0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 38.84 2kr6 n ILE 427 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2kr6 h PHE 428 N 0.00 -0.34 -0.18 1.39 3.57 -1.46 -3.46 116.94 116.46 2kr6 h PHE 428 Ca -0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2kr6 h PHE 428 Cb 1.87 0.11 -0.15 0.00 2.79 0.00 0.00 35.95 40.58 2kr6 h PHE 428 CO 0.00 -0.16 -0.12 1.17 -2.23 0.00 0.00 178.31 176.96 2kr6 n LYS 429 N -5.02 0.12 -1.31 1.11 4.81 -0.89 -5.09 118.16 111.90 2kr6 n LYS 429 Ca -0.05 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.57 2kr6 n LYS 429 Cb 0.17 0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.23 2kr6 n LYS 429 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kr6 n LYS 430 N 2.40 -3.60 0.00 1.64 4.81 -0.85 -4.87 118.16 117.69 2kr6 n LYS 430 Ca 0.10 2.61 0.00 0.00 -0.87 0.00 0.00 58.31 60.15 2kr6 n LYS 430 Cb 0.66 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2kr6 n LYS 430 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kr6 n ALA 431 N 0.35 -0.10 0.00 3.14 0.00 -1.09 -4.35 120.51 118.45 2kr6 n ALA 431 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kr6 n ALA 431 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.48 0.00 0.00 0.00 4.77 -1.26 -4.71 117.00 114.32 2kr6 n LEU 432 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2kr6 n LEU 432 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2kr6 n LEU 432 CO 0.00 0.00 0.46 -0.81 -1.33 0.00 0.00 177.39 175.71 2kr6 n PRO 433 N 0.00 -2.64 -1.52 3.23 -0.04 -1.26 -4.85 135.00 127.93 2kr6 n PRO 433 Ca 0.00 -1.32 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 2kr6 n PRO 433 Cb 0.00 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2kr6 n PRO 433 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kr6 n ALA 434 N -4.42 4.26 -2.72 0.55 0.00 -1.26 -4.48 120.51 112.44 2kr6 n ALA 434 Ca -0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 53.44 49.65 2kr6 n ALA 434 Cb 0.44 -3.59 0.04 0.00 0.00 0.00 0.00 19.45 16.35 2kr6 n ALA 434 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2kr6 n LEU 435 N 7.20 -2.39 -4.70 0.00 7.94 -1.26 -5.11 117.00 118.68 2kr6 n LEU 435 Ca 0.50 -2.39 -0.42 0.00 -1.11 0.00 0.00 56.01 52.59 2kr6 n LEU 435 Cb 0.40 0.70 -0.03 0.00 0.53 0.00 0.00 43.42 45.02 2kr6 n LEU 435 CO 0.95 1.72 1.12 -2.16 -1.11 0.00 0.00 177.39 177.91 2kr6 s PRO 436 N 0.66 4.29 -1.52 1.96 0.04 -1.26 -3.46 135.00 135.70 2kr6 s PRO 436 Ca 0.28 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 2kr6 s PRO 436 Cb 0.15 -3.48 0.14 0.00 0.04 0.00 0.00 34.50 31.34 2kr6 s PRO 436 CO -0.13 -0.55 0.34 0.44 0.04 0.00 0.00 177.00 177.14 2kr6 n ILE 437 N 4.46 -0.29 -4.15 0.56 -5.35 -1.26 -4.88 119.36 108.44 2kr6 n ILE 437 Ca 0.13 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.37 2kr6 n ILE 437 Cb 0.43 -0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 37.65 2kr6 n ILE 437 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2kr6 s SER 438 N -3.36 0.67 -0.08 7.28 0.15 -1.22 -5.16 113.70 111.98 2kr6 s SER 438 Ca 0.48 -1.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 2kr6 s SER 438 Cb -0.28 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2kr6 s SER 438 CO 0.88 -0.61 -0.04 -0.51 1.20 0.00 0.00 173.24 174.15 2kr6 s ILE 439 N -3.86 0.67 0.46 6.45 2.07 -1.26 -4.96 121.20 120.77 2kr6 s ILE 439 Ca 0.16 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 2kr6 s ILE 439 Cb 0.07 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 2kr6 s ILE 439 CO -0.03 0.29 0.01 0.28 -1.91 0.00 0.00 174.94 173.58 2kr6 s THR 440 N 1.55 1.53 0.41 4.00 -1.32 -1.26 -4.98 115.64 115.56 2kr6 s THR 440 Ca -0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.21 2kr6 s THR 440 Cb -0.13 -2.56 -0.10 0.00 -1.51 0.00 0.00 72.50 68.20 2kr6 s THR 440 CO -0.04 0.00 1.37 0.49 -2.21 0.00 0.00 174.62 174.22 2kr6 n PHE 441 N -1.11 2.50 0.20 9.09 3.72 -1.26 -4.82 117.46 125.78 2kr6 n PHE 441 Ca -0.12 0.48 0.18 0.00 -0.05 0.00 0.00 57.45 57.94 2kr6 n PHE 441 Cb 0.67 -2.44 0.82 0.00 -0.94 0.00 0.00 39.48 37.59 2kr6 n PHE 441 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2kr6 h GLY 442 N 2.41 0.00 0.00 1.37 0.00 -1.99 -1.68 103.07 103.18 2kr6 h GLY 442 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kr6 h GLY 442 CO 0.61 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.19 2kr6 n LEU 443 N -3.56 0.26 -0.13 3.11 4.77 -1.26 0.15 117.00 120.34 2kr6 n LEU 443 Ca 0.02 0.69 0.20 0.00 -0.03 0.00 0.00 56.01 56.90 2kr6 n LEU 443 Cb 0.42 -0.30 0.60 0.00 -2.33 0.00 0.00 43.42 41.80 2kr6 n LEU 443 CO 0.24 -0.30 1.21 0.58 -1.33 0.00 0.00 177.39 177.79 2kr6 h VAL 444 N 0.00 0.71 -0.10 4.08 2.07 -1.92 0.12 116.25 121.22 2kr6 h VAL 444 Ca 0.00 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 2kr6 h VAL 444 Cb 0.00 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2kr6 h VAL 444 CO 0.00 0.04 -0.67 0.15 0.02 0.00 0.00 177.57 177.11 2kr6 h PHE 445 N 0.22 0.52 0.42 1.57 3.57 -1.32 -1.47 116.94 120.45 2kr6 h PHE 445 Ca 0.36 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2kr6 h PHE 445 Cb 1.10 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2kr6 h PHE 445 CO -0.00 0.95 -0.20 -0.92 -2.23 0.00 0.00 178.31 175.90 2kr6 h TYR 446 N 0.28 -0.53 0.00 0.41 3.20 0.24 0.31 116.97 120.89 2kr6 h TYR 446 Ca -0.02 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2kr6 h TYR 446 Cb 1.22 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2kr6 h TYR 446 CO 0.04 -0.28 -0.40 0.35 -1.64 0.00 0.00 178.16 176.23 2kr6 h PHE 447 N -0.65 0.00 0.00 -3.82 3.57 -1.54 0.10 116.94 114.60 2kr6 h PHE 447 Ca -0.06 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 2kr6 h PHE 447 Cb 0.48 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2kr6 h PHE 447 CO -0.03 0.40 -0.61 0.00 -2.23 0.00 0.00 178.31 175.84 2kr6 h ALA 448 N 1.60 0.76 0.00 2.41 0.00 -1.04 -3.18 119.26 119.81 2kr6 h ALA 448 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kr6 h ALA 448 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kr6 h ALA 448 CO 0.05 0.77 -1.20 0.25 0.00 0.00 0.00 179.25 179.12 2kr6 n THR 449 N -3.48 0.16 -0.33 0.00 -2.24 0.11 -4.25 114.28 104.24 2kr6 n THR 449 Ca 0.00 -0.30 0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2kr6 n THR 449 Cb 0.69 0.19 0.38 0.00 -2.10 0.00 0.00 70.33 69.49 2kr6 n THR 449 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kr6 h ASP 450 N 0.00 0.68 -0.68 3.42 5.19 -0.78 0.54 116.42 124.79 2kr6 h ASP 450 Ca 0.00 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 2kr6 h ASP 450 Cb 0.78 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.18 2kr6 h ASP 450 CO 0.00 0.23 0.17 -1.22 -3.12 0.00 0.00 179.24 175.30 2kr6 n TYR 451 N -4.72 2.31 0.00 4.55 4.01 -1.26 -4.54 117.16 117.52 2kr6 n TYR 451 Ca 0.23 -1.04 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 2kr6 n TYR 451 Cb 0.64 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2kr6 n TYR 451 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2kr6 n LEU 452 N 0.10 0.00 -0.07 7.72 4.77 0.15 -5.04 117.00 124.63 2kr6 n LEU 452 Ca 0.36 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 2kr6 n LEU 452 Cb 1.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.36 2kr6 n LEU 452 CO 0.40 -0.25 -0.93 0.52 -1.33 0.00 0.00 177.39 175.79 2kr6 n VAL 453 N -1.76 0.92 -2.53 4.08 0.31 0.10 -5.06 118.33 114.39 2kr6 n VAL 453 Ca 0.00 -0.14 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 2kr6 n VAL 453 Cb 0.00 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -3.73 -1.22 0.00 5.55 7.27 0.93 -4.93 117.38 121.24 2kr6 n GLN 454 Ca -0.27 1.37 0.00 0.00 0.07 0.00 0.00 57.00 58.17 2kr6 n GLN 454 Cb 0.65 -4.45 0.00 0.00 2.41 0.00 0.00 30.24 28.85 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 -1.06 -0.40 0.32 3.69 -0.04 -1.26 -4.75 135.00 131.49 2kr6 n PRO 455 Ca 0.03 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.70 2kr6 n PRO 455 Cb 0.43 0.00 1.10 0.00 -0.04 0.00 0.00 33.50 34.99 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2kr6 h PHE 456 N -1.20 0.00 -0.43 0.54 0.04 -1.96 -1.46 116.94 112.46 2kr6 h PHE 456 Ca 0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 2kr6 h PHE 456 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2kr6 h PHE 456 CO 0.00 0.00 0.30 1.98 -0.60 0.00 0.00 178.31 179.99 2kr6 h MET 457 N 0.00 0.12 0.22 1.51 4.05 -1.89 -2.21 114.93 116.74 2kr6 h MET 457 Ca 0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2kr6 h MET 457 Cb 0.10 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2kr6 h MET 457 CO -0.00 0.08 -0.11 0.22 0.23 0.00 0.00 176.91 177.33 2kr6 h ASP 458 N 0.13 -0.25 -0.71 1.39 3.58 -1.56 0.28 116.42 119.28 2kr6 h ASP 458 Ca 0.20 -0.22 0.12 0.00 0.42 0.00 0.00 57.03 57.56 2kr6 h ASP 458 Cb 0.64 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.67 2kr6 h ASP 458 CO -0.02 0.11 0.27 -0.61 -2.88 0.00 0.00 179.24 176.10 2kr6 h GLN 459 N -0.65 0.42 0.00 0.28 4.15 -1.56 0.15 115.11 117.90 2kr6 h GLN 459 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2kr6 h GLN 459 Cb 0.46 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2kr6 h GLN 459 CO 0.05 0.28 -0.15 1.25 -1.93 0.00 0.00 178.83 178.33 2kr6 h LEU 460 N 0.43 0.00 0.05 -2.39 5.85 -1.43 -3.29 115.31 114.53 2kr6 h LEU 460 Ca 0.38 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2kr6 h LEU 460 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kr6 h LEU 460 CO -0.37 0.15 -0.02 0.00 -0.34 0.00 0.00 178.44 177.86 2kr6 h ALA 461 N 1.85 -0.07 -1.20 1.25 0.00 0.23 -3.49 119.26 117.83 2kr6 h ALA 461 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kr6 h ALA 461 Cb 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kr6 h ALA 461 CO 0.02 -0.31 0.00 0.34 0.00 0.00 0.00 179.25 179.30 2kr6 n PHE 462 N -4.90 -1.59 -2.13 0.00 7.35 -0.35 -4.34 117.46 111.50 2kr6 n PHE 462 Ca -0.08 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.18 2kr6 n PHE 462 Cb 0.24 0.18 -0.02 0.00 0.35 0.00 0.00 39.48 40.23 2kr6 n PHE 462 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2kr6 s HIS 463 N 0.00 2.02 0.02 -5.13 3.76 -1.26 -4.90 115.29 109.80 2kr6 s HIS 463 Ca 0.00 0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2kr6 s HIS 463 Cb 0.00 -4.20 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2kr6 s HIS 463 CO 0.00 -2.59 0.05 0.94 -0.85 0.00 0.00 174.74 172.29 2kr6 n GLN 464 N 8.33 0.06 -3.28 1.40 7.27 -1.26 -5.17 117.38 124.72 2kr6 n GLN 464 Ca 0.20 -0.12 -0.13 0.00 0.07 0.00 0.00 57.00 57.02 2kr6 n GLN 464 Cb 0.47 0.15 -0.04 0.00 2.41 0.00 0.00 30.24 33.23 2kr6 n GLN 464 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2kr6 n PHE 465 N -0.03 -0.02 -3.81 3.69 3.01 -1.26 -5.18 117.46 113.86 2kr6 n PHE 465 Ca -0.00 -1.44 -0.06 0.00 1.01 0.00 0.00 57.45 56.96 2kr6 n PHE 465 Cb 0.03 0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.56 2kr6 n PHE 465 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2kr6 n TYR 466 N -0.47 -1.83 0.56 1.38 4.11 -1.26 -5.17 117.16 114.49 2kr6 n TYR 466 Ca -0.02 -1.49 0.07 0.00 -0.00 0.00 0.00 57.90 56.46 2kr6 n TYR 466 Cb 0.33 0.74 0.06 0.00 -0.00 0.00 0.00 39.34 40.47 2kr6 n TYR 466 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30