#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckh s PHE 420 N 0.00 3.08 0.33 -1.84 0.08 -1.26 -5.02 117.98 113.35 2ckh s PHE 420 Ca 0.00 1.20 -0.28 0.00 0.12 0.00 0.00 56.93 57.97 2ckh s PHE 420 Cb 0.00 -3.53 -0.13 0.00 -0.57 0.00 0.00 43.02 38.80 2ckh s PHE 420 CO 0.00 -1.01 1.29 -0.35 -0.10 0.00 0.00 175.22 175.04 2ckh n PRO 421 N 6.68 2.07 -1.66 0.24 -0.04 -1.26 -4.99 135.00 136.04 2ckh n PRO 421 Ca 0.13 0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 64.00 2ckh n PRO 421 Cb 0.46 -2.30 0.05 0.00 -0.04 0.00 0.00 33.50 31.67 2ckh n PRO 421 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ckh s GLU 422 N -1.69 2.81 -1.10 0.54 2.56 -1.26 -5.00 118.70 115.56 2ckh s GLU 422 Ca 0.57 1.19 -0.08 0.00 0.00 0.00 0.00 54.97 56.66 2ckh s GLU 422 Cb -0.59 -1.96 0.28 0.00 2.00 0.00 0.00 34.13 33.86 2ckh s GLU 422 CO 0.61 -1.21 1.19 0.44 -0.56 0.00 0.00 175.26 175.72 2ckh n ILE 423 N -2.76 4.70 -1.73 -3.70 -6.64 -1.26 -5.06 119.36 102.90 2ckh n ILE 423 Ca 0.09 -5.50 -0.36 0.00 -1.77 0.00 0.00 62.75 55.21 2ckh n ILE 423 Cb 0.53 -2.47 0.06 0.00 -1.44 0.00 0.00 39.64 36.32 2ckh n ILE 423 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2ckh s THR 424 N -1.62 2.32 0.18 7.28 -4.23 -1.26 -4.71 115.64 113.60 2ckh s THR 424 Ca 0.31 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.81 2ckh s THR 424 Cb -0.07 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.93 2ckh s THR 424 CO -0.04 -0.06 1.61 -0.33 -0.54 0.00 0.00 174.62 175.26 2ckh h GLU 425 N 0.39 -0.15 -1.12 3.99 5.08 -2.00 0.49 114.58 121.27 2ckh h GLU 425 Ca -0.50 0.01 0.43 0.00 -1.00 0.00 0.00 59.36 58.31 2ckh h GLU 425 Cb 1.31 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.43 2ckh h GLU 425 CO 0.53 -0.10 0.65 0.93 -1.00 0.00 0.00 179.01 180.01 2ckh h GLU 426 N -0.15 0.02 0.12 2.33 5.08 -2.01 -2.12 114.58 117.85 2ckh h GLU 426 Ca 0.22 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2ckh h GLU 426 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ckh h GLU 426 CO -0.60 0.01 -0.06 0.52 -1.00 0.00 0.00 179.01 177.89 2ckh h MET 427 N 0.02 -0.15 -1.00 2.33 2.86 -1.25 -3.20 114.93 114.54 2ckh h MET 427 Ca 0.85 0.01 0.39 0.00 -2.06 0.00 0.00 59.70 58.90 2ckh h MET 427 Cb 2.40 0.03 -0.17 0.00 0.06 0.00 0.00 31.60 33.92 2ckh h MET 427 CO -0.67 -0.10 0.53 0.93 1.06 0.00 0.00 176.91 178.66 2ckh h GLU 428 N -0.91 0.07 -0.17 1.72 4.39 -1.08 0.34 114.58 118.95 2ckh h GLU 428 Ca -0.02 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 2ckh h GLU 428 Cb 0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2ckh h GLU 428 CO 0.03 0.05 -0.55 0.87 -1.16 0.00 0.00 179.01 178.25 2ckh h LYS 429 N 0.07 0.50 0.02 2.33 1.57 -1.53 -0.36 116.57 119.17 2ckh h LYS 429 Ca 0.82 -0.31 -0.21 0.00 -1.87 0.00 0.00 60.65 59.08 2ckh h LYS 429 Cb 2.09 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.42 2ckh h LYS 429 CO -0.74 0.92 -0.95 1.49 -0.57 0.00 0.00 179.45 179.60 2ckh h GLU 430 N 0.38 0.10 0.01 3.15 4.81 -0.43 -3.09 114.58 119.51 2ckh h GLU 430 Ca 0.01 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2ckh h GLU 430 Cb 1.08 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2ckh h GLU 430 CO 0.10 0.97 -0.01 0.82 -0.73 0.00 0.00 179.01 180.16 2ckh h ILE 431 N 0.04 0.00 -1.53 2.32 2.04 -0.72 -2.67 117.51 117.00 2ckh h ILE 431 Ca -0.04 -0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.26 2ckh h ILE 431 Cb 1.64 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2ckh h ILE 431 CO 0.14 0.00 1.10 0.50 0.00 0.00 0.00 178.15 179.88 2ckh h LYS 432 N -0.02 0.01 -0.03 2.37 3.64 -1.21 0.57 116.57 121.91 2ckh h LYS 432 Ca -0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ckh h LYS 432 Cb 0.01 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2ckh h LYS 432 CO 0.00 0.01 0.00 -0.97 -2.27 0.00 0.00 179.45 176.22 2ckh h ASN 433 N 0.01 0.04 0.81 4.20 -1.24 -1.48 -2.78 115.58 115.15 2ckh h ASN 433 Ca 0.73 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.50 2ckh h ASN 433 Cb 2.91 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 41.95 2ckh h ASN 433 CO -0.03 0.28 0.00 1.33 -1.29 0.00 0.00 177.43 177.72 2ckh n VAL 434 N -4.94 0.65 0.00 2.57 0.24 0.20 -2.82 118.33 114.23 2ckh n VAL 434 Ca -0.07 0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.26 2ckh n VAL 434 Cb 0.15 -0.85 -0.13 0.00 -1.47 0.00 0.00 33.84 31.53 2ckh n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2ckh h PHE 435 N 0.00 0.00 -3.62 6.34 0.04 -1.37 -3.45 116.94 114.89 2ckh h PHE 435 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 2ckh h PHE 435 Cb 0.41 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.66 2ckh h PHE 435 CO 0.00 0.99 0.72 -2.13 -0.60 0.00 0.00 178.31 177.29 2ckh n ARG 436 N -3.12 2.52 -1.53 1.51 0.63 -1.06 -4.82 116.66 110.79 2ckh n ARG 436 Ca -0.12 0.89 -0.38 0.00 -0.92 0.00 0.00 57.85 57.31 2ckh n ARG 436 Cb 1.02 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 31.28 2ckh n ARG 436 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2ckh n ASN 437 N 0.85 1.84 0.00 6.15 5.15 -1.26 -4.85 115.26 123.13 2ckh n ASN 437 Ca 0.04 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2ckh n ASN 437 Cb 0.38 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 2ckh n ASN 437 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ckh n GLY 438 N 6.16 5.32 3.59 8.20 0.00 -1.26 -5.07 105.19 122.13 2ckh n GLY 438 Ca 0.44 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2ckh n GLY 438 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ckh s ASN 439 N 1.00 5.69 0.50 1.61 3.84 -1.26 -4.87 114.94 121.45 2ckh s ASN 439 Ca 0.00 1.31 0.28 0.00 0.21 0.00 0.00 52.86 54.66 2ckh s ASN 439 Cb 0.00 -2.52 1.18 0.00 -0.55 0.00 0.00 41.25 39.36 2ckh s ASN 439 CO 0.00 -1.87 1.93 1.56 -2.79 0.00 0.00 177.10 175.92 2ckh h GLN 440 N 13.77 0.00 -0.64 0.43 1.08 -1.97 -2.85 115.11 124.93 2ckh h GLN 440 Ca -0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2ckh h GLN 440 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2ckh h GLN 440 CO 1.04 0.13 0.00 -0.25 -0.95 0.00 0.00 178.83 178.80 2ckh n ASP 441 N -3.30 3.49 -4.78 1.46 8.00 -1.26 -2.03 116.55 118.14 2ckh n ASP 441 Ca -0.00 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 2ckh n ASP 441 Cb 0.35 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2ckh n ASP 441 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ckh s GLU 442 N -1.15 4.17 0.21 -1.24 2.12 -1.08 -4.89 118.70 116.85 2ckh s GLU 442 Ca 0.44 2.49 -0.04 0.00 0.36 0.00 0.00 54.97 58.22 2ckh s GLU 442 Cb 0.23 -2.99 0.17 0.00 0.26 0.00 0.00 34.13 31.80 2ckh s GLU 442 CO 0.30 -0.46 1.60 0.28 -0.54 0.00 0.00 175.26 176.44 2ckh h VAL 443 N 3.01 1.28 0.00 3.70 2.07 -1.92 -3.13 116.25 121.26 2ckh h VAL 443 Ca -0.50 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2ckh h VAL 443 Cb 1.24 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2ckh h VAL 443 CO 0.65 0.47 0.00 0.18 0.02 0.00 0.00 177.57 178.89 2ckh n LEU 444 N -4.07 0.00 -3.74 2.57 4.77 -1.25 -3.96 117.00 111.32 2ckh n LEU 444 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2ckh n LEU 444 Cb 0.48 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 2ckh n LEU 444 CO 0.45 0.00 0.01 -0.55 -1.33 0.00 0.00 177.39 175.97 2ckh s SER 445 N 0.00 -0.38 0.00 -1.43 0.15 -0.99 -5.00 113.70 106.05 2ckh s SER 445 Ca 0.00 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2ckh s SER 445 Cb 0.00 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2ckh s SER 445 CO 0.00 -0.14 0.00 1.21 1.20 0.00 0.00 173.24 175.51 2ckh n GLU 446 N 3.37 3.37 -1.33 5.44 4.07 -1.26 -0.93 120.64 133.37 2ckh n GLU 446 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 2ckh n GLU 446 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 2ckh n GLU 446 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ckh n ALA 447 N -3.00 -1.51 -0.72 4.31 0.00 -1.25 -4.72 120.51 113.61 2ckh n ALA 447 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ckh n ALA 447 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2ckh n ALA 447 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ckh n PHE 448 N -2.09 0.00 -1.40 0.00 0.99 -1.26 -3.23 117.46 110.47 2ckh n PHE 448 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 2ckh n PHE 448 Cb 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 39.48 38.60 2ckh n PHE 448 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2ckh n ARG 449 N -2.72 -1.50 -4.01 -1.08 5.12 -1.26 -4.97 116.66 106.24 2ckh n ARG 449 Ca 0.00 0.94 -0.27 0.00 -1.93 0.00 0.00 57.85 56.59 2ckh n ARG 449 Cb 0.00 -5.25 -0.05 0.00 -1.16 0.00 0.00 32.46 26.00 2ckh n ARG 449 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2ckh s LEU 450 N -3.60 4.06 -0.09 0.55 1.02 -1.20 -5.11 118.68 114.31 2ckh s LEU 450 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 54.13 54.19 2ckh s LEU 450 Cb 0.00 -2.67 0.02 0.00 0.02 0.00 0.00 46.19 43.57 2ckh s LEU 450 CO 0.00 0.09 -0.06 -0.89 0.02 0.00 0.00 176.35 175.50 2ckh s THR 451 N -1.68 0.85 -0.28 5.49 2.01 -1.26 -3.90 115.64 116.88 2ckh s THR 451 Ca 0.32 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 2ckh s THR 451 Cb -0.11 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.56 2ckh s THR 451 CO 0.26 0.33 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 2ckh s ILE 452 N 1.56 2.74 0.36 1.82 1.09 -0.11 -5.00 121.20 123.67 2ckh s ILE 452 Ca 0.01 -1.39 0.07 0.00 -1.10 0.00 0.00 60.65 58.24 2ckh s ILE 452 Cb -0.13 -2.55 -0.00 0.00 -1.06 0.00 0.00 42.46 38.72 2ckh s ILE 452 CO -0.05 -0.03 0.49 0.42 -0.10 0.00 0.00 174.94 175.67 2ckh s THR 453 N 1.22 3.66 0.49 2.92 -4.23 -1.26 -2.33 115.64 116.11 2ckh s THR 453 Ca -0.05 -1.02 0.23 0.00 -1.18 0.00 0.00 61.69 59.67 2ckh s THR 453 Cb -0.19 -3.25 0.41 0.00 1.34 0.00 0.00 72.50 70.80 2ckh s THR 453 CO -0.03 -0.10 1.93 -0.09 -0.54 0.00 0.00 174.62 175.79 2ckh h ARG 454 N 0.83 0.16 -0.36 3.99 2.43 -1.64 0.44 114.38 120.23 2ckh h ARG 454 Ca -0.44 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2ckh h ARG 454 Cb 1.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2ckh h ARG 454 CO 0.50 0.10 0.01 1.57 -1.51 0.00 0.00 179.97 180.65 2ckh h LYS 455 N 0.16 0.63 -0.10 0.20 2.10 -1.71 0.35 116.57 118.20 2ckh h LYS 455 Ca 0.36 -0.19 -0.03 0.00 -2.00 0.00 0.00 60.65 58.79 2ckh h LYS 455 Cb 1.18 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2ckh h LYS 455 CO -0.06 0.73 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.63 2ckh h ASP 456 N 0.45 0.22 -0.95 7.07 3.32 -1.15 -2.82 116.42 122.55 2ckh h ASP 456 Ca 0.10 -0.42 0.12 0.00 0.02 0.00 0.00 57.03 56.86 2ckh h ASP 456 Cb 0.44 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 2ckh h ASP 456 CO 0.02 0.59 0.58 0.40 -1.72 0.00 0.00 179.24 179.10 2ckh h ILE 457 N -0.15 0.89 -0.64 0.35 1.08 -0.21 -1.69 117.51 117.14 2ckh h ILE 457 Ca 0.02 -0.31 0.19 0.00 -0.39 0.00 0.00 64.86 64.36 2ckh h ILE 457 Cb 0.51 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 2ckh h ILE 457 CO 0.02 0.17 0.53 -0.61 -0.69 0.00 0.00 178.15 177.56 2ckh h GLN 458 N 0.91 0.00 0.00 2.37 5.75 -0.65 -0.24 115.11 123.25 2ckh h GLN 458 Ca 0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 2ckh h GLN 458 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2ckh h GLN 458 CO -0.27 0.00 0.00 0.25 -2.65 0.00 0.00 178.83 176.16 2ckh n THR 459 N -4.04 1.04 1.03 2.39 -2.24 -0.64 -1.42 114.28 110.40 2ckh n THR 459 Ca 0.13 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.27 2ckh n THR 459 Cb 0.77 -1.07 0.02 0.00 -2.10 0.00 0.00 70.33 67.95 2ckh n THR 459 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ckh n LEU 460 N -1.42 1.27 -4.79 3.22 4.77 -0.10 -4.20 117.00 115.75 2ckh n LEU 460 Ca 0.04 -0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 2ckh n LEU 460 Cb 0.11 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2ckh n LEU 460 CO 0.10 0.27 0.73 0.21 -1.33 0.00 0.00 177.39 177.37 2ckh s ASN 461 N -2.78 6.13 0.36 -1.43 2.47 -0.51 -4.71 114.94 114.47 2ckh s ASN 461 Ca 0.14 1.98 0.00 0.00 0.42 0.00 0.00 52.86 55.40 2ckh s ASN 461 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2ckh s ASN 461 CO 0.71 -0.93 0.00 1.41 -3.72 0.00 0.00 177.10 174.57 2ckh n HIS 462 N -1.15 0.00 -2.70 0.43 8.25 -1.26 -1.32 115.22 117.46 2ckh n HIS 462 Ca 0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.50 2ckh n HIS 462 Cb 0.52 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.67 2ckh n HIS 462 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ckh n LEU 463 N 0.00 1.89 -4.82 2.41 4.77 -1.26 -5.00 117.00 114.99 2ckh n LEU 463 Ca 0.00 -3.48 -0.33 0.00 -0.03 0.00 0.00 56.01 52.17 2ckh n LEU 463 Cb 0.00 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2ckh n LEU 463 CO 0.00 1.35 0.69 0.20 -1.33 0.00 0.00 177.39 178.30 2ckh s ASN 464 N -3.54 6.38 -0.12 -1.43 -0.87 -0.44 -4.75 114.94 110.18 2ckh s ASN 464 Ca 0.30 1.70 -0.28 0.00 -1.57 0.00 0.00 52.86 53.00 2ckh s ASN 464 Cb 0.38 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 39.07 2ckh s ASN 464 CO -0.01 -0.75 0.96 0.26 -2.57 0.00 0.00 177.10 174.98 2ckh s TRP 465 N -2.44 3.50 -0.13 2.20 0.52 -1.26 -4.77 118.94 116.56 2ckh s TRP 465 Ca 0.62 1.51 -0.29 0.00 0.02 0.00 0.00 56.10 57.95 2ckh s TRP 465 Cb -0.12 -3.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2ckh s TRP 465 CO 0.29 -0.22 1.33 -0.51 0.02 0.00 0.00 176.95 177.86 2ckh s LEU 466 N 1.99 4.22 0.66 2.99 1.43 -1.26 -4.81 118.68 123.91 2ckh s LEU 466 Ca 0.46 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 2ckh s LEU 466 Cb -0.18 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 2ckh s LEU 466 CO 0.17 -0.77 1.05 0.54 0.23 0.00 0.00 176.35 177.57 2ckh s ASN 467 N 2.13 5.73 0.21 2.29 4.22 -1.26 -4.95 114.94 123.31 2ckh s ASN 467 Ca 0.58 1.57 -0.12 0.00 -2.14 0.00 0.00 52.86 52.75 2ckh s ASN 467 Cb -0.24 -2.49 0.27 0.00 1.28 0.00 0.00 41.25 40.07 2ckh s ASN 467 CO 0.18 -1.21 1.65 -2.24 -2.04 0.00 0.00 177.10 173.45 2ckh h ASP 468 N -0.44 -0.39 -0.88 3.54 2.03 -2.00 -2.66 116.42 115.62 2ckh h ASP 468 Ca -0.44 0.17 0.21 0.00 -0.73 0.00 0.00 57.03 56.24 2ckh h ASP 468 Cb 1.20 0.31 -0.12 0.00 -0.83 0.00 0.00 39.33 39.89 2ckh h ASP 468 CO 0.59 -0.15 0.36 -0.08 -1.03 0.00 0.00 179.24 178.92 2ckh h GLU 469 N 0.07 0.36 0.11 4.15 4.57 -1.97 0.12 114.58 121.99 2ckh h GLU 469 Ca 0.31 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2ckh h GLU 469 Cb 0.50 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2ckh h GLU 469 CO -0.57 0.24 -0.09 0.82 -1.18 0.00 0.00 179.01 178.23 2ckh h ILE 470 N 0.37 0.81 0.62 2.32 1.08 -1.82 -2.27 117.51 118.61 2ckh h ILE 470 Ca 0.54 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.98 2ckh h ILE 470 Cb 1.02 0.81 0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2ckh h ILE 470 CO -0.53 0.00 -0.30 0.40 -0.69 0.00 0.00 178.15 177.03 2ckh h ILE 471 N -0.21 0.39 -0.81 -0.67 5.03 -0.88 -0.29 117.51 120.07 2ckh h ILE 471 Ca -0.00 -0.02 0.20 0.00 -0.12 0.00 0.00 64.86 64.91 2ckh h ILE 471 Cb 0.19 0.40 -0.14 0.00 -3.03 0.00 0.00 36.82 34.23 2ckh h ILE 471 CO -0.01 0.00 0.03 0.78 -0.68 0.00 0.00 178.15 178.28 2ckh h ASN 472 N -0.85 -0.34 -0.41 1.72 2.35 -1.35 0.39 115.58 117.09 2ckh h ASN 472 Ca -0.08 0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2ckh h ASN 472 Cb 0.64 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2ckh h ASN 472 CO 0.14 -0.21 0.24 0.15 -1.65 0.00 0.00 177.43 176.11 2ckh h PHE 473 N 0.10 0.45 -0.58 1.19 3.57 -0.84 -1.10 116.94 119.73 2ckh h PHE 473 Ca 0.46 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.92 2ckh h PHE 473 Cb 0.85 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2ckh h PHE 473 CO -0.43 0.26 0.17 -0.92 -2.23 0.00 0.00 178.31 175.16 2ckh h TYR 474 N 0.49 0.95 0.00 0.41 3.20 0.10 -1.52 116.97 120.60 2ckh h TYR 474 Ca 0.17 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2ckh h TYR 474 Cb 0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2ckh h TYR 474 CO -0.07 0.80 0.00 -1.33 -1.64 0.00 0.00 178.16 175.92 2ckh n MET 475 N -4.40 0.05 -0.03 1.82 2.81 0.11 -0.22 117.12 117.27 2ckh n MET 475 Ca 0.03 0.39 -0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2ckh n MET 475 Cb 0.22 -1.62 -0.13 0.00 -0.71 0.00 0.00 33.22 30.98 2ckh n MET 475 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ckh h ASN 476 N 0.00 0.28 -0.40 7.83 2.35 -0.19 -3.23 115.58 122.22 2ckh h ASN 476 Ca 0.00 -0.79 -0.05 0.00 -0.55 0.00 0.00 56.30 54.91 2ckh h ASN 476 Cb 0.17 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2ckh h ASN 476 CO 0.00 1.65 0.08 0.24 -1.65 0.00 0.00 177.43 177.75 2ckh h MET 477 N -0.40 0.73 -0.87 0.81 2.86 -1.04 1.34 114.93 118.36 2ckh h MET 477 Ca -0.35 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.17 2ckh h MET 477 Cb 1.70 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 33.20 2ckh h MET 477 CO -0.01 0.68 0.56 -0.07 1.06 0.00 0.00 176.91 179.14 2ckh h LEU 478 N 0.70 0.94 0.01 1.22 3.38 -0.74 -1.03 115.31 119.79 2ckh h LEU 478 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ckh h LEU 478 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ckh h LEU 478 CO 0.00 0.65 -0.01 -0.03 0.09 0.00 0.00 178.44 179.14 2ckh h MET 479 N 1.10 -0.02 -0.50 1.13 1.85 -1.42 -2.85 114.93 114.21 2ckh h MET 479 Ca 0.34 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.52 2ckh h MET 479 Cb -0.01 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.95 2ckh h MET 479 CO -0.11 0.62 0.09 1.49 -0.40 0.00 0.00 176.91 178.60 2ckh h GLU 480 N -0.68 0.22 -0.17 0.39 4.81 0.20 -2.13 114.58 117.21 2ckh h GLU 480 Ca -0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2ckh h GLU 480 Cb 0.65 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 2ckh h GLU 480 CO 0.00 0.14 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.14 2ckh h ARG 481 N 0.23 -0.22 -4.97 1.92 2.43 -1.27 -3.29 114.38 109.21 2ckh h ARG 481 Ca 0.25 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.96 2ckh h ARG 481 Cb 0.34 0.05 0.10 0.00 -0.42 0.00 0.00 29.97 30.05 2ckh h ARG 481 CO -0.34 -0.15 1.22 -1.13 -1.51 0.00 0.00 179.97 178.07 2ckh n SER 482 N -5.34 1.32 0.00 -3.80 3.41 -0.80 -0.54 113.62 107.87 2ckh n SER 482 Ca -0.02 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 2ckh n SER 482 Cb 0.25 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2ckh n SER 482 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2ckh n LYS 483 N 7.91 0.00 -2.69 4.33 3.00 -1.24 -3.28 118.16 126.20 2ckh n LYS 483 Ca 0.46 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.45 2ckh n LYS 483 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.42 2ckh n LYS 483 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2ckh s GLU 484 N -0.24 3.95 0.38 1.64 -1.05 0.30 -5.01 118.70 118.67 2ckh s GLU 484 Ca 0.00 0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 55.35 2ckh s GLU 484 Cb 0.00 -2.25 -0.10 0.00 -0.44 0.00 0.00 34.13 31.34 2ckh s GLU 484 CO 0.00 -0.11 1.43 0.15 0.95 0.00 0.00 175.26 177.68 2ckh s LYS 485 N -3.72 4.08 -0.13 -4.83 1.02 -1.26 -3.37 119.74 111.52 2ckh s LYS 485 Ca 0.57 2.46 -0.00 0.00 0.02 0.00 0.00 55.97 59.01 2ckh s LYS 485 Cb -0.10 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2ckh s LYS 485 CO 0.27 -0.51 0.01 0.41 -0.92 0.00 0.00 175.35 174.60 2ckh n GLY 486 N 0.55 0.36 3.21 -3.33 0.00 -1.26 -5.04 105.19 99.67 2ckh n GLY 486 Ca 0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 2ckh n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckh s LEU 487 N -0.56 0.22 0.06 0.99 1.43 -1.22 -5.04 118.68 114.57 2ckh s LEU 487 Ca 0.00 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 2ckh s LEU 487 Cb -0.00 1.15 -0.09 0.00 0.03 0.00 0.00 46.19 47.28 2ckh s LEU 487 CO 0.01 -0.17 1.81 -2.16 0.23 0.00 0.00 176.35 176.07 2ckh s PRO 488 N 1.06 4.16 0.52 1.29 0.04 -1.26 -4.62 135.00 136.19 2ckh s PRO 488 Ca -0.07 2.49 -0.22 0.00 0.04 0.00 0.00 61.00 63.24 2ckh s PRO 488 Cb -0.07 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2ckh s PRO 488 CO -0.08 -0.85 1.30 -1.54 0.04 0.00 0.00 177.00 175.87 2ckh s SER 489 N 3.23 5.50 -0.01 6.66 1.04 -1.26 -4.70 113.70 124.16 2ckh s SER 489 Ca 0.81 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.87 2ckh s SER 489 Cb -0.42 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.09 2ckh s SER 489 CO 0.36 -1.40 0.00 -0.69 0.98 0.00 0.00 173.24 172.49 2ckh s VAL 490 N -1.37 0.07 -0.16 5.02 1.01 -1.21 -1.50 120.40 122.26 2ckh s VAL 490 Ca 0.70 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2ckh s VAL 490 Cb -0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2ckh s VAL 490 CO 0.44 0.06 -0.01 -2.28 0.00 0.00 0.00 175.10 173.31 2ckh s HIS 491 N 0.41 3.08 -0.14 5.22 2.46 -0.82 -4.76 115.29 120.75 2ckh s HIS 491 Ca -0.04 -0.18 -0.02 0.00 0.47 0.00 0.00 55.06 55.29 2ckh s HIS 491 Cb -0.06 -1.97 -0.02 0.00 -0.13 0.00 0.00 32.58 30.40 2ckh s HIS 491 CO -0.01 0.04 -0.08 0.00 -2.47 0.00 0.00 174.74 172.22 2ckh s ALA 492 N 0.28 2.82 0.49 1.58 0.00 -1.26 -1.49 121.76 124.18 2ckh s ALA 492 Ca -0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 2ckh s ALA 492 Cb -0.14 -1.38 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 2ckh s ALA 492 CO 0.02 0.25 0.99 -0.06 0.00 0.00 0.00 175.76 176.96 2ckh s PHE 493 N 0.30 3.27 1.22 0.00 0.40 -0.91 -4.96 117.98 117.30 2ckh s PHE 493 Ca -0.07 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.63 2ckh s PHE 493 Cb -0.15 -2.88 0.29 0.00 0.51 0.00 0.00 43.02 40.79 2ckh s PHE 493 CO 0.04 -0.44 1.04 0.54 0.70 0.00 0.00 175.22 177.10 2ckh s ASN 494 N -2.54 0.68 0.09 1.36 2.20 -1.26 -4.56 114.94 110.92 2ckh s ASN 494 Ca 0.62 0.94 -0.16 0.00 -0.94 0.00 0.00 52.86 53.32 2ckh s ASN 494 Cb -0.11 -1.39 -0.10 0.00 -2.00 0.00 0.00 41.25 37.65 2ckh s ASN 494 CO 0.23 -4.30 1.41 0.71 -2.94 0.00 0.00 177.10 172.21 2ckh h THR 495 N -2.70 1.31 0.00 0.54 1.35 -1.94 -3.24 112.91 108.23 2ckh h THR 495 Ca -0.50 -1.39 -0.01 0.00 -0.55 0.00 0.00 66.41 63.97 2ckh h THR 495 Cb 1.32 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2ckh h THR 495 CO 0.40 0.44 -0.04 -0.26 -0.25 0.00 0.00 175.52 175.81 2ckh h PHE 496 N 0.33 0.00 -0.20 4.73 -1.00 -1.93 -3.17 116.94 115.70 2ckh h PHE 496 Ca 0.04 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.84 2ckh h PHE 496 Cb 0.79 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 2ckh h PHE 496 CO 0.07 0.04 -0.19 0.35 -1.61 0.00 0.00 178.31 176.97 2ckh h PHE 497 N 0.00 -0.60 -0.32 -0.55 3.57 -1.89 -1.47 116.94 115.68 2ckh h PHE 497 Ca -0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2ckh h PHE 497 Cb 0.24 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 2ckh h PHE 497 CO 0.00 -0.15 -0.45 0.35 -2.23 0.00 0.00 178.31 175.82 2ckh h PHE 498 N -0.09 -1.33 -0.07 0.41 3.57 -1.78 -1.07 116.94 116.58 2ckh h PHE 498 Ca 0.03 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 2ckh h PHE 498 Cb 0.18 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2ckh h PHE 498 CO -0.75 -0.47 -0.51 1.79 -2.23 0.00 0.00 178.31 176.15 2ckh h THR 499 N -0.40 1.36 0.00 4.41 1.35 -1.76 0.08 112.91 117.95 2ckh h THR 499 Ca 0.11 -1.76 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 2ckh h THR 499 Cb 0.61 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2ckh h THR 499 CO -0.52 0.52 -0.15 0.50 -0.25 0.00 0.00 175.52 175.61 2ckh h LYS 500 N 0.15 0.00 0.14 4.72 1.63 -0.38 0.35 116.57 123.18 2ckh h LYS 500 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2ckh h LYS 500 Cb 0.95 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2ckh h LYS 500 CO 0.08 0.15 -0.07 1.25 -3.45 0.00 0.00 179.45 177.41 2ckh h LEU 501 N 0.00 -0.16 -0.89 5.20 5.85 -0.30 -0.72 115.31 124.29 2ckh h LEU 501 Ca -0.00 -0.37 0.13 0.00 0.84 0.00 0.00 57.88 58.47 2ckh h LEU 501 Cb 0.29 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2ckh h LEU 501 CO 0.02 0.42 0.51 0.50 -0.34 0.00 0.00 178.44 179.55 2ckh h LYS 502 N -0.89 0.76 0.03 1.25 3.11 -0.63 0.27 116.57 120.47 2ckh h LYS 502 Ca -0.02 -0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.60 2ckh h LYS 502 Cb 0.52 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2ckh h LYS 502 CO 0.03 0.50 -0.95 1.79 -2.81 0.00 0.00 179.45 178.01 2ckh h THR 503 N 0.78 1.19 0.00 1.00 1.35 -0.43 -3.41 112.91 113.40 2ckh h THR 503 Ca 0.46 -2.28 -0.03 0.00 -0.55 0.00 0.00 66.41 64.00 2ckh h THR 503 Cb 0.54 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 2ckh h THR 503 CO -0.30 0.50 -1.57 0.00 -0.25 0.00 0.00 175.52 173.90 2ckh n ALA 504 N -3.07 2.56 0.00 6.62 0.00 -0.28 -5.08 120.51 121.26 2ckh n ALA 504 Ca -0.24 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2ckh n ALA 504 Cb 0.69 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2ckh n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckh n GLY 505 N 1.26 -2.19 0.12 0.00 0.00 0.93 -4.69 105.19 100.62 2ckh n GLY 505 Ca -0.04 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2ckh n GLY 505 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ckh h TYR 506 N 0.00 -0.16 -0.86 1.61 3.20 -1.90 -3.30 116.97 115.56 2ckh h TYR 506 Ca 0.00 -0.00 0.34 0.00 3.14 0.00 0.00 58.73 62.21 2ckh h TYR 506 Cb 0.00 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.17 2ckh h TYR 506 CO 0.00 0.30 0.41 1.04 -1.64 0.00 0.00 178.16 178.27 2ckh n GLN 507 N -4.87 -0.05 -0.31 1.82 1.13 -1.26 0.77 117.38 114.61 2ckh n GLN 507 Ca -0.07 1.19 -0.00 0.00 -1.94 0.00 0.00 57.00 56.18 2ckh n GLN 507 Cb 0.26 -2.11 0.13 0.00 0.11 0.00 0.00 30.24 28.62 2ckh n GLN 507 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ckh h ALA 508 N 1.71 1.16 -0.45 -1.58 0.00 -1.84 -2.90 119.26 115.36 2ckh h ALA 508 Ca 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2ckh h ALA 508 Cb 1.82 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2ckh h ALA 508 CO -0.68 0.32 0.00 1.33 0.00 0.00 0.00 179.25 180.22 2ckh n VAL 509 N -4.60 1.80 0.00 0.00 0.24 0.23 -4.88 118.33 111.13 2ckh n VAL 509 Ca 0.12 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 2ckh n VAL 509 Cb 0.14 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 2ckh n VAL 509 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2ckh n LYS 510 N 0.45 0.00 0.00 7.34 4.81 -0.99 -1.58 118.16 128.19 2ckh n LYS 510 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2ckh n LYS 510 Cb 0.79 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.84 2ckh n LYS 510 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2ckh n ARG 511 N -0.65 0.00 0.01 1.64 3.00 -1.26 -4.41 116.66 114.98 2ckh n ARG 511 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 2ckh n ARG 511 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.67 2ckh n ARG 511 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2ckh n TRP 512 N 0.00 0.04 -0.35 -0.14 7.02 -0.61 -2.03 117.44 121.38 2ckh n TRP 512 Ca 0.00 0.02 0.05 0.00 -1.02 0.00 0.00 57.50 56.55 2ckh n TRP 512 Cb 0.00 -0.53 0.11 0.00 -2.42 0.00 0.00 31.31 28.47 2ckh n TRP 512 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2ckh n THR 513 N -1.54 1.30 -1.71 -0.99 -2.24 -1.26 -4.95 114.28 102.89 2ckh n THR 513 Ca 0.02 -1.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.08 2ckh n THR 513 Cb 0.11 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 2ckh n THR 513 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2ckh n LYS 514 N -0.25 2.27 -1.89 -0.78 2.85 -0.86 -1.84 118.16 117.66 2ckh n LYS 514 Ca 0.09 0.80 -0.11 0.00 -1.05 0.00 0.00 58.31 58.04 2ckh n LYS 514 Cb 0.46 -2.46 -0.02 0.00 -0.65 0.00 0.00 35.03 32.36 2ckh n LYS 514 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ckh n LYS 515 N 1.20 -0.85 -3.67 -1.58 5.02 -1.26 -5.02 118.16 112.00 2ckh n LYS 515 Ca 0.07 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.89 2ckh n LYS 515 Cb 0.35 -4.74 -0.13 0.00 -0.02 0.00 0.00 35.03 30.50 2ckh n LYS 515 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ckh s VAL 516 N -2.51 -0.40 -1.01 -0.18 -7.23 -0.77 -5.08 120.40 103.23 2ckh s VAL 516 Ca 0.00 0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.21 2ckh s VAL 516 Cb 0.00 -0.45 0.05 0.00 0.56 0.00 0.00 36.38 36.54 2ckh s VAL 516 CO 0.00 0.11 1.46 -0.62 -0.31 0.00 0.00 175.10 175.74 2ckh s ASP 517 N 2.36 6.45 0.58 4.85 2.15 -1.26 -4.84 116.67 126.95 2ckh s ASP 517 Ca 0.00 -1.39 0.33 0.00 0.43 0.00 0.00 52.55 51.91 2ckh s ASP 517 Cb -0.12 -2.57 1.37 0.00 -0.30 0.00 0.00 42.92 41.30 2ckh s ASP 517 CO -0.09 -1.56 1.67 0.58 -0.17 0.00 0.00 175.17 175.60 2ckh h VAL 518 N 6.79 0.23 0.00 1.11 2.07 -1.98 0.12 116.25 124.59 2ckh h VAL 518 Ca 0.18 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.55 2ckh h VAL 518 Cb 1.01 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2ckh h VAL 518 CO 1.42 0.00 -1.04 -0.26 0.02 0.00 0.00 177.57 177.71 2ckh h PHE 519 N 0.00 0.00 0.00 1.57 -1.00 -2.02 -3.26 116.94 112.24 2ckh h PHE 519 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 2ckh h PHE 519 Cb 2.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.80 2ckh h PHE 519 CO 0.00 0.61 0.00 -1.13 -1.61 0.00 0.00 178.31 176.18 2ckh n SER 520 N -3.07 0.81 -4.28 2.17 3.41 0.43 -4.76 113.62 108.33 2ckh n SER 520 Ca -0.05 -1.35 -0.17 0.00 -0.26 0.00 0.00 58.87 57.05 2ckh n SER 520 Cb 0.82 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 2ckh n SER 520 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ckh s VAL 521 N -0.87 1.41 -0.04 -3.33 0.11 -1.23 -5.05 120.40 111.39 2ckh s VAL 521 Ca 0.00 -2.03 -0.18 0.00 -2.93 0.00 0.00 61.98 56.84 2ckh s VAL 521 Cb 0.00 -1.84 -0.31 0.00 -1.53 0.00 0.00 36.38 32.70 2ckh s VAL 521 CO 0.00 -0.61 0.82 0.44 -3.33 0.00 0.00 175.10 172.41 2ckh h ASP 522 N 2.88 0.56 -4.34 3.54 3.32 -1.62 -3.44 116.42 117.33 2ckh h ASP 522 Ca -0.38 -0.92 -0.39 0.00 0.02 0.00 0.00 57.03 55.36 2ckh h ASP 522 Cb 1.20 -0.18 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 2ckh h ASP 522 CO 0.60 1.57 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.29 2ckh s ILE 523 N -2.50 0.88 -0.10 0.35 1.01 -0.56 -2.23 121.20 118.05 2ckh s ILE 523 Ca -0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 2ckh s ILE 523 Cb 0.03 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2ckh s ILE 523 CO 0.85 -0.04 -0.06 -0.76 0.00 0.00 0.00 174.94 174.92 2ckh s LEU 524 N -1.03 3.17 -0.28 2.97 1.43 0.85 -1.94 118.68 123.85 2ckh s LEU 524 Ca -0.01 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2ckh s LEU 524 Cb -0.07 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2ckh s LEU 524 CO 0.01 0.29 0.11 -0.76 0.23 0.00 0.00 176.35 176.22 2ckh s LEU 525 N -0.36 3.80 -0.35 1.79 1.43 -0.55 -1.85 118.68 122.59 2ckh s LEU 525 Ca 0.05 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2ckh s LEU 525 Cb -0.12 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.22 2ckh s LEU 525 CO 0.02 -0.13 0.10 -0.69 0.23 0.00 0.00 176.35 175.88 2ckh s VAL 526 N 1.60 3.15 -0.03 -1.59 1.01 0.42 -2.14 120.40 122.82 2ckh s VAL 526 Ca 0.05 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 2ckh s VAL 526 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2ckh s VAL 526 CO 0.05 -0.39 0.78 -2.16 0.00 0.00 0.00 175.10 173.38 2ckh s PRO 527 N 1.20 4.48 -0.07 2.72 0.04 -1.26 -0.09 135.00 142.02 2ckh s PRO 527 Ca 0.02 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2ckh s PRO 527 Cb -0.21 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 2ckh s PRO 527 CO -0.02 0.08 -0.16 0.42 0.04 0.00 0.00 177.00 177.35 2ckh s ILE 528 N 0.69 2.86 -0.33 0.56 1.09 0.50 -4.54 121.20 122.03 2ckh s ILE 528 Ca 0.41 -0.78 -0.05 0.00 -1.10 0.00 0.00 60.65 59.13 2ckh s ILE 528 Cb -0.19 -2.13 0.04 0.00 -1.06 0.00 0.00 42.46 39.13 2ckh s ILE 528 CO 0.21 0.57 0.08 -2.28 -0.10 0.00 0.00 174.94 173.42 2ckh s HIS 529 N -0.34 3.26 -0.50 3.97 2.46 -1.26 -1.70 115.29 121.18 2ckh s HIS 529 Ca 0.03 -1.55 -0.07 0.00 0.47 0.00 0.00 55.06 53.95 2ckh s HIS 529 Cb -0.13 -2.25 0.13 0.00 -0.13 0.00 0.00 32.58 30.20 2ckh s HIS 529 CO 0.02 -0.75 0.35 -0.51 -2.47 0.00 0.00 174.74 171.38 2ckh s LEU 530 N 1.36 5.56 0.00 8.88 1.43 -0.05 -4.84 118.68 131.02 2ckh s LEU 530 Ca -0.02 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.91 2ckh s LEU 530 Cb -0.20 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2ckh s LEU 530 CO 0.02 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.62 2ckh n GLY 531 N 4.50 0.33 2.68 -3.19 0.00 -1.26 -2.08 105.19 106.16 2ckh n GLY 531 Ca -0.02 0.36 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 2ckh n GLY 531 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ckh n VAL 532 N 0.00 2.38 -3.65 1.61 0.24 -1.26 -5.04 118.33 112.61 2ckh n VAL 532 Ca 0.00 -5.07 -0.02 0.00 -2.04 0.00 0.00 64.34 57.21 2ckh n VAL 532 Cb 0.00 -1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 31.20 2ckh n VAL 532 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2ckh s HIS 533 N -3.39 -0.25 0.06 6.34 5.65 -0.88 -5.18 115.29 117.64 2ckh s HIS 533 Ca 0.46 0.54 0.02 0.00 0.25 0.00 0.00 55.06 56.33 2ckh s HIS 533 Cb 0.35 0.28 -0.04 0.00 -1.18 0.00 0.00 32.58 31.98 2ckh s HIS 533 CO -0.14 -0.12 0.08 -1.58 -0.65 0.00 0.00 174.74 172.33 2ckh s TRP 534 N 0.73 3.22 0.24 3.88 0.52 -1.26 -0.87 118.94 125.39 2ckh s TRP 534 Ca -0.03 0.11 -0.21 0.00 0.02 0.00 0.00 56.10 56.00 2ckh s TRP 534 Cb -0.04 -1.65 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2ckh s TRP 534 CO -0.12 0.53 0.65 0.00 0.02 0.00 0.00 176.95 178.03 2ckh s LEU 536 N -2.87 2.04 -0.02 0.00 2.96 -0.73 -0.37 118.68 119.69 2ckh s LEU 536 Ca 0.08 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 2ckh s LEU 536 Cb -0.04 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 2ckh s LEU 536 CO 0.00 0.05 -0.22 0.00 -1.32 0.00 0.00 176.35 174.86 2ckh s ALA 537 N -0.30 1.83 -0.15 5.97 0.00 0.87 0.14 121.76 130.12 2ckh s ALA 537 Ca 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2ckh s ALA 537 Cb -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2ckh s ALA 537 CO -0.00 0.44 -0.09 0.08 0.00 0.00 0.00 175.76 176.19 2ckh s VAL 538 N -0.47 1.30 -0.51 0.00 1.01 -0.05 -0.43 120.40 121.24 2ckh s VAL 538 Ca 0.07 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2ckh s VAL 538 Cb -0.09 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.99 2ckh s VAL 538 CO -0.00 0.29 0.76 -0.69 0.00 0.00 0.00 175.10 175.45 2ckh s VAL 539 N 1.57 4.67 -0.84 2.92 1.01 -0.77 -1.60 120.40 127.36 2ckh s VAL 539 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2ckh s VAL 539 Cb -0.14 -4.38 0.21 0.00 0.00 0.00 0.00 36.38 32.07 2ckh s VAL 539 CO -0.09 -0.89 0.81 -0.62 0.00 0.00 0.00 175.10 174.32 2ckh s ASP 540 N 2.62 6.76 0.56 3.32 -1.08 -1.24 -0.11 116.67 127.51 2ckh s ASP 540 Ca 0.23 -2.64 0.29 0.00 -0.52 0.00 0.00 52.55 49.90 2ckh s ASP 540 Cb -0.16 -2.23 1.47 0.00 -1.46 0.00 0.00 42.92 40.54 2ckh s ASP 540 CO 0.16 -0.62 1.93 -0.26 0.52 0.00 0.00 175.17 176.90 2ckh h PHE 541 N 7.87 0.00 0.00 -5.34 0.04 -1.74 0.53 116.94 118.31 2ckh h PHE 541 Ca 0.12 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.62 2ckh h PHE 541 Cb 1.04 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.14 2ckh h PHE 541 CO 1.05 0.00 -1.81 2.89 -0.60 0.00 0.00 178.31 179.84 2ckh n ARG 542 N -4.04 0.64 0.05 1.51 1.85 -1.26 -3.78 116.66 111.63 2ckh n ARG 542 Ca 0.11 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.27 2ckh n ARG 542 Cb 0.72 -1.72 0.28 0.00 -1.05 0.00 0.00 32.46 30.69 2ckh n ARG 542 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ckh n LYS 543 N -2.89 0.19 -3.68 2.89 5.02 -0.72 -4.98 118.16 113.98 2ckh n LYS 543 Ca -0.18 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 2ckh n LYS 543 Cb 1.00 -1.64 0.04 0.00 -0.02 0.00 0.00 35.03 34.41 2ckh n LYS 543 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ckh n LYS 544 N -1.92 -5.32 -3.44 1.97 5.02 0.18 -4.91 118.16 109.75 2ckh n LYS 544 Ca 0.05 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 56.93 2ckh n LYS 544 Cb 0.40 -5.33 -0.07 0.00 -0.02 0.00 0.00 35.03 30.01 2ckh n LYS 544 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ckh s ASN 545 N -4.21 -0.35 -0.12 4.39 2.20 -1.18 -1.52 114.94 114.15 2ckh s ASN 545 Ca 0.10 0.71 -0.29 0.00 -0.94 0.00 0.00 52.86 52.43 2ckh s ASN 545 Cb -0.05 1.50 -0.04 0.00 -2.00 0.00 0.00 41.25 40.66 2ckh s ASN 545 CO 0.80 -0.26 1.59 -0.63 -2.94 0.00 0.00 177.10 175.65 2ckh s ILE 546 N 2.66 3.72 -0.05 0.54 1.01 -0.71 -3.60 121.20 124.78 2ckh s ILE 546 Ca 0.08 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.59 2ckh s ILE 546 Cb -0.14 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2ckh s ILE 546 CO -0.16 -0.14 -0.05 0.28 0.00 0.00 0.00 174.94 174.87 2ckh s THR 547 N 4.34 0.58 -0.07 2.92 -1.32 -0.63 -2.27 115.64 119.19 2ckh s THR 547 Ca 0.70 -0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 61.03 2ckh s THR 547 Cb -0.29 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 2ckh s THR 547 CO 0.27 0.24 -0.01 -0.47 -2.21 0.00 0.00 174.62 172.44 2ckh s TYR 548 N 0.96 3.11 -0.24 9.09 5.04 -0.37 -0.87 117.35 134.07 2ckh s TYR 548 Ca -0.10 0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 2ckh s TYR 548 Cb -0.14 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.47 2ckh s TYR 548 CO -0.00 0.45 -0.05 0.71 -1.34 0.00 0.00 175.55 175.31 2ckh s TYR 549 N -0.90 2.56 -0.12 4.97 2.02 0.36 -1.81 117.35 124.43 2ckh s TYR 549 Ca 0.14 -1.89 0.02 0.00 -0.37 0.00 0.00 57.07 54.97 2ckh s TYR 549 Cb -0.11 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 2ckh s TYR 549 CO 0.03 -0.80 -0.20 0.34 -1.57 0.00 0.00 175.55 173.36 2ckh s ASP 550 N 1.34 3.43 0.13 2.29 2.15 -1.26 -1.78 116.67 122.97 2ckh s ASP 550 Ca -0.05 -0.49 -0.13 0.00 0.43 0.00 0.00 52.55 52.31 2ckh s ASP 550 Cb -0.19 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 40.93 2ckh s ASP 550 CO -0.07 0.14 1.55 0.77 -0.17 0.00 0.00 175.17 177.40 2ckh h SER 551 N 6.84 0.81 0.35 -0.34 4.64 -1.87 -2.44 113.55 121.54 2ckh h SER 551 Ca -0.24 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2ckh h SER 551 Cb 1.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ckh h SER 551 CO 0.52 0.97 0.00 0.23 -0.87 0.00 0.00 176.83 177.68 2ckh n MET 552 N -4.32 0.17 -0.53 4.77 2.81 -1.26 -1.33 117.12 117.44 2ckh n MET 552 Ca -0.01 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2ckh n MET 552 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2ckh n MET 552 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ckh n GLY 553 N 0.05 0.76 3.76 3.03 0.00 -0.92 -4.93 105.19 106.94 2ckh n GLY 553 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2ckh n GLY 553 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ckh s GLY 554 N -1.55 2.66 0.04 -0.02 0.00 -1.26 -4.82 107.32 102.37 2ckh s GLY 554 Ca 0.00 1.31 -0.16 0.00 0.00 0.00 0.00 44.72 45.86 2ckh s GLY 554 CO 0.00 2.12 0.49 -0.42 0.00 0.00 0.00 173.10 175.28 2ckh s ILE 555 N -0.55 4.90 -0.45 0.90 1.09 -1.26 -4.48 121.20 121.34 2ckh s ILE 555 Ca 0.54 0.99 0.06 0.00 -1.10 0.00 0.00 60.65 61.14 2ckh s ILE 555 Cb -0.41 -3.79 0.22 0.00 -1.06 0.00 0.00 42.46 37.42 2ckh s ILE 555 CO 0.49 0.54 0.50 -3.20 -0.10 0.00 0.00 174.94 173.16 2ckh n ASN 556 N 1.68 0.67 0.20 3.58 2.85 -1.26 -4.95 115.26 118.02 2ckh n ASN 556 Ca -0.12 -2.74 0.03 0.00 -0.11 0.00 0.00 54.58 51.65 2ckh n ASN 556 Cb 0.52 -0.63 0.41 0.00 1.24 0.00 0.00 39.78 41.32 2ckh n ASN 556 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2ckh h ASN 557 N 4.57 0.00 -0.11 1.20 2.35 -1.96 -2.67 115.58 118.96 2ckh h ASN 557 Ca 0.15 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2ckh h ASN 557 Cb 0.85 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.15 2ckh h ASN 557 CO 0.50 0.30 -0.45 -0.08 -1.65 0.00 0.00 177.43 176.05 2ckh h GLU 558 N 0.00 -0.51 -0.90 0.81 4.81 -1.99 -2.16 114.58 114.64 2ckh h GLU 558 Ca -0.00 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.46 2ckh h GLU 558 Cb 0.53 0.12 -0.17 0.00 0.63 0.00 0.00 28.75 29.86 2ckh h GLU 558 CO 0.04 -0.34 -0.15 0.00 -0.73 0.00 0.00 179.01 177.83 2ckh h ALA 559 N -0.02 0.73 0.05 2.92 0.00 -1.90 0.25 119.26 121.29 2ckh h ALA 559 Ca 0.06 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2ckh h ALA 559 Cb 0.65 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ckh h ALA 559 CO -0.39 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.40 2ckh h ARG 561 N -0.07 0.04 0.01 0.00 3.08 0.00 -0.64 114.38 116.80 2ckh h ARG 561 Ca -0.01 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ckh h ARG 561 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2ckh h ARG 561 CO 0.01 0.03 -0.01 0.82 -1.07 0.00 0.00 179.97 179.75 2ckh h ILE 562 N 0.04 1.51 -0.77 2.04 2.04 -0.02 -2.94 117.51 119.41 2ckh h ILE 562 Ca 0.15 -1.69 0.07 0.00 1.00 0.00 0.00 64.86 64.39 2ckh h ILE 562 Cb 0.55 2.64 -0.06 0.00 -0.74 0.00 0.00 36.82 39.21 2ckh h ILE 562 CO -0.01 0.43 0.46 -0.07 0.00 0.00 0.00 178.15 178.96 2ckh h LEU 563 N -0.75 0.69 -0.80 1.44 3.38 -0.59 0.20 115.31 118.87 2ckh h LEU 563 Ca -0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2ckh h LEU 563 Cb 0.72 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2ckh h LEU 563 CO 0.00 0.44 0.48 0.25 0.09 0.00 0.00 178.44 179.70 2ckh h LEU 564 N 0.83 0.74 -0.66 1.67 5.85 -1.20 0.16 115.31 122.69 2ckh h LEU 564 Ca 0.35 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.11 2ckh h LEU 564 Cb 0.21 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2ckh h LEU 564 CO -0.19 0.46 0.43 1.56 -0.34 0.00 0.00 178.44 180.36 2ckh h GLN 565 N 0.87 0.83 0.08 1.25 1.08 -0.90 -1.08 115.11 117.24 2ckh h GLN 565 Ca 0.36 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2ckh h GLN 565 Cb 0.21 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2ckh h GLN 565 CO -0.19 0.55 -0.43 -0.92 -0.95 0.00 0.00 178.83 176.89 2ckh h TYR 566 N 0.86 -1.25 -0.64 2.96 3.20 0.11 -0.45 116.97 121.75 2ckh h TYR 566 Ca 0.25 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.26 2ckh h TYR 566 Cb -0.05 0.54 -0.12 0.00 1.54 0.00 0.00 36.73 38.63 2ckh h TYR 566 CO -0.04 -0.48 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.54 2ckh h LEU 567 N -0.60 -1.36 -0.47 2.82 3.38 -0.47 0.72 115.31 119.34 2ckh h LEU 567 Ca -0.00 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.31 2ckh h LEU 567 Cb 0.61 0.65 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2ckh h LEU 567 CO -0.24 -0.31 -0.25 0.11 0.09 0.00 0.00 178.44 177.83 2ckh h LYS 568 N -0.17 -0.14 -0.02 1.13 1.57 -0.84 -0.43 116.57 117.66 2ckh h LYS 568 Ca 0.22 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2ckh h LYS 568 Cb 0.56 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2ckh h LYS 568 CO -0.73 -0.10 -0.00 1.96 -0.57 0.00 0.00 179.45 180.02 2ckh h GLN 569 N -0.15 0.04 -0.40 3.15 4.20 0.98 -2.86 115.11 120.07 2ckh h GLN 569 Ca 0.21 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.98 2ckh h GLN 569 Cb 0.49 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2ckh h GLN 569 CO -0.56 0.37 0.01 1.49 -0.67 0.00 0.00 178.83 179.47 2ckh h GLU 570 N -0.29 0.12 -0.69 1.46 4.57 0.53 -1.50 114.58 118.79 2ckh h GLU 570 Ca 0.01 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 2ckh h GLU 570 Cb 0.35 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.82 2ckh h GLU 570 CO 0.00 0.08 0.18 1.03 -1.18 0.00 0.00 179.01 179.12 2ckh h SER 571 N 0.12 0.06 -0.23 1.04 0.87 -1.01 0.45 113.55 114.86 2ckh h SER 571 Ca 0.20 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 2ckh h SER 571 Cb 0.27 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2ckh h SER 571 CO -0.32 0.01 -0.06 0.40 -0.53 0.00 0.00 176.83 176.33 2ckh h ILE 572 N 0.30 1.22 0.00 2.23 2.04 -1.15 -1.75 117.51 120.41 2ckh h ILE 572 Ca 0.37 -0.95 -0.17 0.00 1.00 0.00 0.00 64.86 65.12 2ckh h ILE 572 Cb 0.59 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2ckh h ILE 572 CO -0.45 0.32 -1.15 -0.78 0.00 0.00 0.00 178.15 176.10 2ckh h ASP 573 N 0.54 0.00 0.00 1.72 3.58 0.22 -3.20 116.42 119.28 2ckh h ASP 573 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2ckh h ASP 573 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2ckh h ASP 573 CO 0.02 0.66 -0.69 0.29 -2.88 0.00 0.00 179.24 176.63 2ckh n LYS 574 N -3.05 0.37 -1.10 0.28 4.76 0.13 -4.68 118.16 114.87 2ckh n LYS 574 Ca -0.06 0.15 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 2ckh n LYS 574 Cb 0.85 -1.13 0.17 0.00 -1.84 0.00 0.00 35.03 33.07 2ckh n LYS 574 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ckh n LYS 575 N -3.93 2.24 -2.83 1.97 5.02 -0.69 -4.94 118.16 114.99 2ckh n LYS 575 Ca -0.10 -2.72 -0.09 0.00 -2.02 0.00 0.00 58.31 53.38 2ckh n LYS 575 Cb 0.36 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 2ckh n LYS 575 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ckh n ARG 576 N -0.92 -0.97 -3.55 1.97 1.74 -1.02 -4.87 116.66 109.04 2ckh n ARG 576 Ca 0.53 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.46 2ckh n ARG 576 Cb 1.54 -1.03 -0.06 0.00 -1.02 0.00 0.00 32.46 31.89 2ckh n ARG 576 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2ckh s LYS 577 N -3.82 1.00 0.45 5.56 2.20 -1.15 -4.97 119.74 119.01 2ckh s LYS 577 Ca 0.05 0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.71 2ckh s LYS 577 Cb -0.03 0.47 -0.08 0.00 -1.51 0.00 0.00 37.83 36.68 2ckh s LYS 577 CO 0.27 -0.29 1.44 -2.00 -0.36 0.00 0.00 175.35 174.40 2ckh s GLU 578 N -1.03 3.69 0.24 4.03 2.12 -1.26 -3.22 118.70 123.26 2ckh s GLU 578 Ca -0.10 2.44 -0.30 0.00 0.36 0.00 0.00 54.97 57.37 2ckh s GLU 578 Cb -0.01 -2.66 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 2ckh s GLU 578 CO 0.09 -0.82 1.14 0.12 -0.54 0.00 0.00 175.26 175.24 2ckh s PHE 579 N -1.20 3.51 -1.13 5.30 5.36 -1.26 -4.96 117.98 123.60 2ckh s PHE 579 Ca 0.61 1.60 -0.19 0.00 -0.96 0.00 0.00 56.93 57.98 2ckh s PHE 579 Cb -0.44 -3.35 0.09 0.00 -0.34 0.00 0.00 43.02 38.98 2ckh s PHE 579 CO 0.57 -0.81 1.50 0.34 -1.46 0.00 0.00 175.22 175.35 2ckh s ASP 580 N -0.48 6.72 0.25 6.13 3.68 -1.26 -4.84 116.67 126.87 2ckh s ASP 580 Ca 0.48 -2.11 0.20 0.00 2.13 0.00 0.00 52.55 53.25 2ckh s ASP 580 Cb -0.32 -2.52 0.97 0.00 -1.45 0.00 0.00 42.92 39.60 2ckh s ASP 580 CO 0.40 -1.22 1.61 1.07 0.13 0.00 0.00 175.17 177.17 2ckh n THR 581 N 6.18 1.04 -1.66 1.71 5.66 -1.26 -4.82 114.28 121.13 2ckh n THR 581 Ca 0.38 0.51 -0.46 0.00 -3.05 0.00 0.00 64.05 61.42 2ckh n THR 581 Cb 0.48 -1.47 -0.04 0.00 -1.55 0.00 0.00 70.33 67.75 2ckh n THR 581 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ckh n ASN 582 N -2.15 2.74 0.00 1.09 2.85 -1.26 -2.98 115.26 115.55 2ckh n ASN 582 Ca 0.00 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.58 2ckh n ASN 582 Cb 0.11 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.74 2ckh n ASN 582 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ckh n GLY 583 N 2.84 1.74 3.77 8.20 0.00 -1.26 -5.02 105.19 115.45 2ckh n GLY 583 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2ckh n GLY 583 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ckh s TRP 584 N -3.15 3.61 -0.01 1.61 0.52 -1.16 -4.94 118.94 115.41 2ckh s TRP 584 Ca 0.00 1.75 0.01 0.00 0.02 0.00 0.00 56.10 57.88 2ckh s TRP 584 Cb 0.00 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2ckh s TRP 584 CO 0.00 -0.20 0.02 -1.14 0.02 0.00 0.00 176.95 175.65 2ckh s GLN 585 N -1.79 2.88 -0.07 4.98 0.74 -0.58 -5.00 119.66 120.83 2ckh s GLN 585 Ca 0.48 -0.56 0.03 0.00 0.05 0.00 0.00 55.36 55.37 2ckh s GLN 585 Cb -0.25 -2.73 0.01 0.00 1.10 0.00 0.00 33.01 31.13 2ckh s GLN 585 CO 0.32 0.64 -0.15 -0.51 -0.55 0.00 0.00 175.29 175.04 2ckh s LEU 586 N -1.54 1.75 0.00 3.68 1.43 -1.26 -1.73 118.68 121.01 2ckh s LEU 586 Ca 0.20 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2ckh s LEU 586 Cb -0.12 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.19 2ckh s LEU 586 CO 0.10 0.07 0.48 2.22 0.23 0.00 0.00 176.35 179.45 2ckh n PHE 587 N 3.71 -1.39 -4.18 0.29 -0.00 -0.96 -5.03 117.46 109.91 2ckh n PHE 587 Ca -0.22 -0.85 -0.17 0.00 -0.00 0.00 0.00 57.45 56.22 2ckh n PHE 587 Cb 0.52 0.42 -0.12 0.00 -0.00 0.00 0.00 39.48 40.30 2ckh n PHE 587 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2ckh s SER 588 N -2.20 1.33 0.34 5.98 0.01 -1.26 -1.23 113.70 116.68 2ckh s SER 588 Ca 0.10 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 2ckh s SER 588 Cb -0.02 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 2ckh s SER 588 CO 0.05 -0.08 0.71 -0.75 0.41 0.00 0.00 173.24 173.58 2ckh s LYS 589 N -1.43 3.85 0.00 12.44 2.47 -0.75 -4.94 119.74 131.37 2ckh s LYS 589 Ca -0.03 0.48 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 2ckh s LYS 589 Cb -0.09 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 2ckh s LYS 589 CO 0.01 0.10 0.00 1.63 0.16 0.00 0.00 175.35 177.25 2ckh n LYS 590 N -0.80 0.00 -0.56 4.03 5.02 -1.26 -4.67 118.16 119.93 2ckh n LYS 590 Ca 0.02 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 2ckh n LYS 590 Cb 0.53 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.80 2ckh n LYS 590 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2ckh n SER 591 N 0.00 3.94 0.00 4.39 7.64 -1.26 -4.31 113.62 124.02 2ckh n SER 591 Ca 0.00 -2.56 0.12 0.00 1.01 0.00 0.00 58.87 57.44 2ckh n SER 591 Cb 0.00 -0.60 0.24 0.00 -1.01 0.00 0.00 64.21 62.84 2ckh n SER 591 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ckh n GLN 592 N 0.43 0.02 -1.38 1.43 6.02 -1.26 -4.95 117.38 117.68 2ckh n GLN 592 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2ckh n GLN 592 Cb 0.83 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.58 2ckh n GLN 592 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2ckh n ILE 593 N -1.53 0.00 -2.54 5.09 -5.35 -1.26 -5.13 119.36 108.64 2ckh n ILE 593 Ca 0.05 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.13 2ckh n ILE 593 Cb 0.34 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.19 2ckh n ILE 593 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2ckh s PRO 594 N -1.07 4.69 0.14 6.28 0.04 -1.26 -5.04 135.00 138.78 2ckh s PRO 594 Ca 0.00 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2ckh s PRO 594 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2ckh s PRO 594 CO 0.00 0.29 0.25 -0.65 0.04 0.00 0.00 177.00 176.92 2ckh s GLN 595 N -1.38 3.34 0.16 4.56 -1.52 -1.26 -4.75 119.66 118.81 2ckh s GLN 595 Ca 0.44 -0.63 -0.26 0.00 -1.95 0.00 0.00 55.36 52.95 2ckh s GLN 595 Cb -0.31 -2.91 0.02 0.00 -0.22 0.00 0.00 33.01 29.59 2ckh s GLN 595 CO 0.39 0.52 1.57 0.37 -0.25 0.00 0.00 175.29 177.89 2ckh h GLN 596 N 2.30 -0.26 0.00 2.91 5.75 -1.57 -3.45 115.11 120.79 2ckh h GLN 596 Ca -0.48 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2ckh h GLN 596 Cb 1.19 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2ckh h GLN 596 CO 0.68 -0.17 0.00 -1.33 -2.65 0.00 0.00 178.83 175.36 2ckh n MET 597 N -5.41 -0.66 0.00 1.69 2.81 -1.26 -4.87 117.12 109.42 2ckh n MET 597 Ca 0.01 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2ckh n MET 597 Cb 0.35 -3.83 0.00 0.00 -0.71 0.00 0.00 33.22 29.02 2ckh n MET 597 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2ckh n ASN 598 N -0.33 1.66 -0.00 7.83 0.23 -1.26 -5.09 115.26 118.30 2ckh n ASN 598 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 2ckh n ASN 598 Cb 0.17 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.85 2ckh n ASN 598 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ckh n GLY 599 N 0.00 0.54 0.00 4.83 0.00 -1.26 -4.88 105.19 104.43 2ckh n GLY 599 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2ckh n GLY 599 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ckh n SER 600 N -1.19 0.01 -0.63 1.61 3.41 -1.26 -4.86 113.62 110.72 2ckh n SER 600 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2ckh n SER 600 Cb 0.05 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2ckh n SER 600 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ckh n ASP 601 N -0.14 1.46 0.16 4.04 8.00 -1.26 -4.29 116.55 124.52 2ckh n ASP 601 Ca 0.00 -2.03 -0.07 0.00 0.71 0.00 0.00 54.79 53.40 2ckh n ASP 601 Cb 0.01 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 2ckh n ASP 601 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckh h GLY 603 N -0.54 0.00 0.24 0.00 0.00 -1.84 0.46 103.07 101.39 2ckh h GLY 603 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2ckh h GLY 603 CO 0.07 0.00 -0.08 1.98 0.00 0.00 0.00 176.54 178.51 2ckh h MET 604 N 0.00 -0.22 -0.37 4.80 -1.53 -1.80 -2.88 114.93 112.93 2ckh h MET 604 Ca 0.05 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.40 2ckh h MET 604 Cb 0.97 0.05 -0.09 0.00 -0.55 0.00 0.00 31.60 31.98 2ckh h MET 604 CO -0.00 0.09 -0.30 0.74 0.14 0.00 0.00 176.91 177.58 2ckh h PHE 605 N -0.99 -0.81 -0.76 1.39 -1.00 0.18 -0.78 116.94 114.17 2ckh h PHE 605 Ca -0.02 0.05 0.12 0.00 2.81 0.00 0.00 57.97 60.93 2ckh h PHE 605 Cb 0.40 0.41 -0.13 0.00 3.61 0.00 0.00 35.95 40.25 2ckh h PHE 605 CO 0.06 -0.36 -0.39 0.00 -1.61 0.00 0.00 178.31 176.01 2ckh h ALA 606 N 0.82 -0.05 0.76 2.45 0.00 -1.01 1.22 119.26 123.44 2ckh h ALA 606 Ca 0.17 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2ckh h ALA 606 Cb 0.52 0.93 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2ckh h ALA 606 CO -0.51 -0.70 -0.36 0.00 0.00 0.00 0.00 179.25 177.68 2ckh h LYS 608 N -1.09 0.00 0.11 0.00 1.79 -0.72 -0.46 116.57 116.20 2ckh h LYS 608 Ca -0.10 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2ckh h LYS 608 Cb 0.79 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.40 2ckh h LYS 608 CO 0.17 0.14 -0.43 1.88 -1.08 0.00 0.00 179.45 180.13 2ckh h TYR 609 N 0.00 -1.22 -0.38 -1.35 0.99 0.16 -2.63 116.97 112.54 2ckh h TYR 609 Ca -0.00 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.78 2ckh h TYR 609 Cb 0.55 0.52 -0.02 0.00 1.00 0.00 0.00 36.73 38.78 2ckh h TYR 609 CO 0.00 -0.53 0.26 0.00 -0.00 0.00 0.00 178.16 177.89 2ckh h ALA 610 N -0.21 1.82 -0.37 3.88 0.00 -0.59 -2.63 119.26 121.16 2ckh h ALA 610 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ckh h ALA 610 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ckh h ALA 610 CO -0.25 0.14 0.25 0.22 0.00 0.00 0.00 179.25 179.60 2ckh h ASP 611 N 0.43 0.43 -0.24 0.00 1.82 -0.90 0.26 116.42 118.23 2ckh h ASP 611 Ca 0.15 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.70 2ckh h ASP 611 Cb 0.08 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2ckh h ASP 611 CO -0.04 0.32 -0.14 0.00 -1.61 0.00 0.00 179.24 177.78 2ckh h ILE 613 N 0.22 0.61 0.00 0.00 2.04 -1.16 -1.73 117.51 117.49 2ckh h ILE 613 Ca 0.05 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2ckh h ILE 613 Cb 0.65 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2ckh h ILE 613 CO 0.04 0.01 -0.16 0.71 0.00 0.00 0.00 178.15 178.75 2ckh h THR 614 N 0.04 0.52 -0.46 -0.27 1.35 -0.45 -1.26 112.91 112.39 2ckh h THR 614 Ca 0.21 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2ckh h THR 614 Cb 0.32 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2ckh h THR 614 CO -0.41 0.15 0.00 0.29 -0.25 0.00 0.00 175.52 175.31 2ckh n LYS 615 N -3.49 3.67 -0.03 4.72 5.02 -0.69 -4.40 118.16 122.96 2ckh n LYS 615 Ca -0.01 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 2ckh n LYS 615 Cb 0.32 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2ckh n LYS 615 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2ckh n ASP 616 N 0.59 0.00 -4.68 4.39 8.00 -0.48 -4.86 116.55 119.51 2ckh n ASP 616 Ca 0.21 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 2ckh n ASP 616 Cb 0.88 -0.60 0.09 0.00 -0.02 0.00 0.00 41.12 41.47 2ckh n ASP 616 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckh n ARG 617 N -0.61 0.67 -1.03 -1.24 1.74 -0.99 -4.95 116.66 110.25 2ckh n ARG 617 Ca 0.00 0.29 -0.29 0.00 -0.77 0.00 0.00 57.85 57.08 2ckh n ARG 617 Cb 0.00 -2.40 0.17 0.00 -1.02 0.00 0.00 32.46 29.21 2ckh n ARG 617 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2ckh s PRO 618 N -3.55 0.60 0.63 5.56 0.04 -1.26 -4.18 135.00 132.84 2ckh s PRO 618 Ca 0.77 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 2ckh s PRO 618 Cb -0.35 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2ckh s PRO 618 CO 0.46 -2.69 1.06 0.42 0.04 0.00 0.00 177.00 176.29 2ckh s ILE 619 N -2.83 3.84 0.00 0.56 1.01 -1.26 -4.81 121.20 117.72 2ckh s ILE 619 Ca 0.65 0.77 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2ckh s ILE 619 Cb -0.20 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2ckh s ILE 619 CO 0.59 -0.61 0.00 -0.46 0.00 0.00 0.00 174.94 174.46 2ckh n ASN 620 N -2.44 0.00 -4.88 3.58 2.04 -1.26 -5.11 115.26 107.19 2ckh n ASN 620 Ca 0.08 0.00 -0.30 0.00 -0.44 0.00 0.00 54.58 53.92 2ckh n ASN 620 Cb 0.53 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.76 2ckh n ASN 620 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 2ckh s PHE 621 N -0.73 3.53 -0.23 -2.53 -0.12 -1.26 -5.09 117.98 111.54 2ckh s PHE 621 Ca 0.00 1.11 -0.08 0.00 -0.05 0.00 0.00 56.93 57.91 2ckh s PHE 621 Cb 0.00 -2.53 0.10 0.00 -0.63 0.00 0.00 43.02 39.97 2ckh s PHE 621 CO 0.00 -0.32 0.50 0.95 -0.05 0.00 0.00 175.22 176.30 2ckh s THR 622 N -2.68 -0.76 0.00 -4.49 -4.23 -1.26 -4.70 115.64 97.51 2ckh s THR 622 Ca 0.52 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2ckh s THR 622 Cb -0.10 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.96 2ckh s THR 622 CO 0.40 0.05 0.00 1.67 -0.54 0.00 0.00 174.62 176.19 2ckh n GLN 623 N 5.40 0.00 -0.08 3.99 -0.06 -1.26 -2.97 117.38 122.40 2ckh n GLN 623 Ca -0.10 0.00 0.26 0.00 -2.00 0.00 0.00 57.00 55.16 2ckh n GLN 623 Cb 0.49 0.00 0.69 0.00 -4.06 0.00 0.00 30.24 27.36 2ckh n GLN 623 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2ckh h GLN 624 N 0.00 0.00 0.00 3.69 7.50 -1.99 3.35 115.11 127.65 2ckh h GLN 624 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2ckh h GLN 624 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2ckh h GLN 624 CO 0.00 0.00 0.00 0.72 -1.50 0.00 0.00 178.83 178.05 2ckh n HIS 625 N -3.77 0.69 0.04 2.96 8.25 -1.16 -3.74 115.22 118.49 2ckh n HIS 625 Ca 0.15 0.29 -0.07 0.00 -0.26 0.00 0.00 57.72 57.83 2ckh n HIS 625 Cb 0.96 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 2ckh n HIS 625 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2ckh h MET 626 N 0.00 -0.20 -0.97 -0.41 2.86 0.60 0.32 114.93 117.12 2ckh h MET 626 Ca 0.00 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.85 2ckh h MET 626 Cb 0.28 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 2ckh h MET 626 CO 0.00 0.11 0.62 -1.00 1.06 0.00 0.00 176.91 177.69 2ckh h PRO 627 N -0.99 0.60 0.50 -0.22 0.13 -1.68 0.80 132.00 131.14 2ckh h PRO 627 Ca -0.02 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2ckh h PRO 627 Cb 0.40 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2ckh h PRO 627 CO 0.04 0.40 -0.24 -0.92 -0.23 0.00 0.00 178.00 177.04 2ckh h TYR 628 N 0.62 -0.63 -0.35 1.56 3.20 -1.67 -2.41 116.97 117.28 2ckh h TYR 628 Ca 0.54 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.49 2ckh h TYR 628 Cb 1.04 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 2ckh h TYR 628 CO -0.00 -0.35 0.25 0.74 -1.64 0.00 0.00 178.16 177.16 2ckh h PHE 629 N -0.76 0.07 0.70 -3.82 0.04 0.12 0.30 116.94 113.59 2ckh h PHE 629 Ca -0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2ckh h PHE 629 Cb 0.56 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.69 2ckh h PHE 629 CO -0.02 0.03 -0.34 0.00 -0.60 0.00 0.00 178.31 177.39 2ckh h ARG 630 N 0.07 -0.91 0.09 1.51 3.08 0.67 0.62 114.38 119.51 2ckh h ARG 630 Ca 0.17 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.30 2ckh h ARG 630 Cb 0.58 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 2ckh h ARG 630 CO -0.01 -0.60 -0.30 0.87 -1.07 0.00 0.00 179.97 178.85 2ckh h LYS 631 N -1.15 -0.49 -0.79 0.04 1.57 -1.03 -2.23 116.57 112.50 2ckh h LYS 631 Ca -0.10 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.88 2ckh h LYS 631 Cb 0.72 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.04 2ckh h LYS 631 CO 0.16 -0.33 0.30 -0.09 -0.57 0.00 0.00 179.45 178.92 2ckh h ARG 632 N -0.51 0.39 -0.80 3.15 2.43 -0.39 0.80 114.38 119.45 2ckh h ARG 632 Ca 0.04 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2ckh h ARG 632 Cb 0.55 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 2ckh h ARG 632 CO -0.20 0.26 0.42 1.98 -1.51 0.00 0.00 179.97 180.92 2ckh h MET 633 N 0.40 0.65 -0.11 0.20 4.05 0.87 -1.99 114.93 118.99 2ckh h MET 633 Ca 0.45 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.87 2ckh h MET 633 Cb 0.74 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.34 2ckh h MET 633 CO -0.46 0.43 -0.19 0.28 0.23 0.00 0.00 176.91 177.21 2ckh h VAL 634 N 0.67 0.52 -0.27 -5.77 2.07 -0.60 0.30 116.25 113.17 2ckh h VAL 634 Ca 0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 2ckh h VAL 634 Cb 0.48 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2ckh h VAL 634 CO -0.30 0.00 0.13 -0.25 0.02 0.00 0.00 177.57 177.17 2ckh h TRP 635 N -0.25 0.39 -0.91 1.57 7.01 -1.55 -1.18 115.95 121.04 2ckh h TRP 635 Ca 0.09 -0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.32 2ckh h TRP 635 Cb 0.38 -0.12 -0.14 0.00 -2.10 0.00 0.00 29.16 27.18 2ckh h TRP 635 CO -0.29 0.36 0.36 0.93 -2.79 0.00 0.00 178.44 177.02 2ckh h GLU 636 N 0.31 0.29 0.48 2.65 5.08 -0.52 -1.53 114.58 121.34 2ckh h GLU 636 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2ckh h GLU 636 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2ckh h GLU 636 CO -0.01 0.19 -0.23 0.82 -1.00 0.00 0.00 179.01 178.78 2ckh h ILE 637 N 0.29 0.14 -0.89 3.13 1.08 0.52 -2.21 117.51 119.57 2ckh h ILE 637 Ca 0.60 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 2ckh h ILE 637 Cb 1.23 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 2ckh h ILE 637 CO -0.61 0.03 0.55 -0.07 -0.69 0.00 0.00 178.15 177.36 2ckh h LEU 638 N -1.12 0.87 -0.89 1.44 3.38 -0.85 -2.01 115.31 116.12 2ckh h LEU 638 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ckh h LEU 638 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ckh h LEU 638 CO 0.11 0.55 -0.09 1.41 0.09 0.00 0.00 178.44 180.51 2ckh n HIS 639 N -4.60 0.00 -1.52 1.13 8.25 -0.61 -4.93 115.22 112.93 2ckh n HIS 639 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2ckh n HIS 639 Cb 0.19 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.26 2ckh n HIS 639 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ckh n ARG 640 N 0.00 -0.48 0.00 -0.41 1.85 -0.76 -5.05 116.66 111.82 2ckh n ARG 640 Ca 0.16 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 2ckh n ARG 640 Cb 0.37 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.38 2ckh n ARG 640 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ckh n LYS 641 N 1.84 0.00 -3.84 2.89 3.00 -1.01 -5.04 118.16 115.99 2ckh n LYS 641 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2ckh n LYS 641 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 2ckh n LYS 641 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ckh s LEU 642 N 0.00 3.04 0.00 3.14 1.02 -1.26 -4.17 118.68 120.45 2ckh s LEU 642 Ca 0.00 -1.75 0.19 0.00 0.02 0.00 0.00 54.13 52.59 2ckh s LEU 642 Cb 0.00 -1.13 1.12 0.00 0.02 0.00 0.00 46.19 46.20 2ckh s LEU 642 CO 0.00 -0.39 1.51 0.18 0.02 0.00 0.00 176.35 177.68