#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqy s PRO 419 N 0.00 4.66 -0.04 -2.82 0.04 -1.26 -1.23 135.00 134.34 1cqy s PRO 419 Ca 0.00 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1cqy s PRO 419 Cb 0.00 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.41 1cqy s PRO 419 CO 0.00 0.27 0.10 0.08 0.04 0.00 0.00 177.00 177.49 1cqy s VAL 420 N -1.22 -0.03 0.13 -0.36 1.01 0.08 -4.89 120.40 115.12 1cqy s VAL 420 Ca 0.45 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1cqy s VAL 420 Cb -0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 1cqy s VAL 420 CO 0.37 0.04 1.01 -0.32 0.00 0.00 0.00 175.10 176.20 1cqy s MET 421 N 0.58 4.66 0.09 2.72 1.75 -1.26 -0.68 119.30 127.16 1cqy s MET 421 Ca -0.04 1.55 0.04 0.00 -1.25 0.00 0.00 55.69 55.99 1cqy s MET 421 Cb -0.06 -3.34 -0.03 0.00 2.84 0.00 0.00 34.83 34.23 1cqy s MET 421 CO -0.02 0.15 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.73 1cqy s GLN 422 N -0.08 0.86 -0.19 4.11 -1.52 0.28 -4.25 119.66 118.87 1cqy s GLN 422 Ca 0.48 -1.10 -0.05 0.00 -1.95 0.00 0.00 55.36 52.74 1cqy s GLN 422 Cb -0.25 -0.68 -0.03 0.00 -0.22 0.00 0.00 33.01 31.83 1cqy s GLN 422 CO 0.31 0.13 -0.00 0.99 -0.25 0.00 0.00 175.29 176.47 1cqy s THR 423 N -2.00 4.00 -0.16 -0.19 2.01 -0.87 -0.81 115.64 117.62 1cqy s THR 423 Ca 0.03 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1cqy s THR 423 Cb -0.06 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1cqy s THR 423 CO 0.01 0.44 0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1cqy s ILE 424 N 0.88 4.64 -0.06 1.82 -1.09 -0.30 -1.65 121.20 125.44 1cqy s ILE 424 Ca 0.01 -0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1cqy s ILE 424 Cb -0.14 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1cqy s ILE 424 CO 0.02 0.50 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.38 1cqy s VAL 425 N 0.03 1.45 -0.10 2.92 1.01 0.29 -2.07 120.40 123.94 1cqy s VAL 425 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1cqy s VAL 425 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1cqy s VAL 425 CO 0.01 0.42 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1cqy s VAL 426 N 0.33 1.29 0.12 2.92 1.01 0.53 -1.79 120.40 124.81 1cqy s VAL 426 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1cqy s VAL 426 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1cqy s VAL 426 CO 0.04 0.40 0.25 -0.54 0.00 0.00 0.00 175.10 175.25 1cqy s LYS 427 N 1.03 3.40 -1.40 2.72 1.02 0.52 -1.46 119.74 125.58 1cqy s LYS 427 Ca -0.07 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 1cqy s LYS 427 Cb -0.15 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1cqy s LYS 427 CO -0.01 0.55 0.56 0.09 -0.92 0.00 0.00 175.35 175.62 1cqy n ASN 428 N -0.26 -5.69 -4.71 2.83 5.03 -1.26 0.22 115.26 111.42 1cqy n ASN 428 Ca -0.06 -0.26 -0.41 0.00 0.87 0.00 0.00 54.58 54.71 1cqy n ASN 428 Cb 0.53 -4.51 -0.04 0.00 -1.02 0.00 0.00 39.78 34.74 1cqy n ASN 428 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1cqy s VAL 429 N -3.12 4.92 -0.74 2.41 1.01 -1.26 -4.58 120.40 119.03 1cqy s VAL 429 Ca 0.28 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.89 1cqy s VAL 429 Cb -0.12 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.12 1cqy s VAL 429 CO 0.34 0.18 1.03 -2.16 0.00 0.00 0.00 175.10 174.49 1cqy s PRO 430 N 1.03 3.26 0.22 2.72 0.04 -1.26 -5.02 135.00 135.99 1cqy s PRO 430 Ca 0.47 -1.08 0.05 0.00 0.04 0.00 0.00 61.00 60.48 1cqy s PRO 430 Cb -0.20 -4.45 -0.03 0.00 0.04 0.00 0.00 34.50 29.86 1cqy s PRO 430 CO 0.24 -1.83 0.30 0.95 0.04 0.00 0.00 177.00 176.70 1cqy s THR 431 N 3.77 5.05 0.20 1.26 -4.23 -1.26 -5.10 115.64 115.33 1cqy s THR 431 Ca 0.26 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1cqy s THR 431 Cb -0.13 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1cqy s THR 431 CO 0.04 -0.28 0.12 0.28 -0.54 0.00 0.00 174.62 174.24 1cqy s THR 432 N -1.96 0.07 0.20 3.99 -1.32 -1.26 -5.05 115.64 110.31 1cqy s THR 432 Ca 0.34 -1.99 -0.31 0.00 -1.21 0.00 0.00 61.69 58.51 1cqy s THR 432 Cb -0.09 -2.47 -0.16 0.00 -1.51 0.00 0.00 72.50 68.27 1cqy s THR 432 CO 0.28 -0.04 0.98 0.00 -2.21 0.00 0.00 174.62 173.62 1cqy n ILE 433 N -0.27 1.37 -0.04 5.08 3.06 -1.26 -0.94 119.36 126.36 1cqy n ILE 433 Ca 0.01 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.92 1cqy n ILE 433 Cb 0.66 -0.65 0.00 0.00 0.54 0.00 0.00 39.64 40.19 1cqy n ILE 433 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cqy n GLY 434 N 1.75 2.10 3.83 4.50 0.00 -1.26 -4.96 105.19 111.15 1cqy n GLY 434 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1cqy n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cqy s ASP 435 N -3.42 6.91 -0.01 1.61 -0.00 -0.11 -1.30 116.67 120.35 1cqy s ASP 435 Ca 0.00 1.23 0.01 0.00 -0.00 0.00 0.00 52.55 53.79 1cqy s ASP 435 Cb 0.00 -2.35 0.01 0.00 -0.00 0.00 0.00 42.92 40.58 1cqy s ASP 435 CO 0.00 0.05 -0.04 -0.89 -0.00 0.00 0.00 175.17 174.29 1cqy s THR 436 N -1.53 0.37 -0.13 -1.27 2.01 -0.84 -4.85 115.64 109.40 1cqy s THR 436 Ca 0.41 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1cqy s THR 436 Cb -0.15 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1cqy s THR 436 CO 0.20 0.13 0.19 -0.69 -0.69 0.00 0.00 174.62 173.76 1cqy s VAL 437 N 0.24 5.40 0.30 3.82 1.01 -1.26 -1.95 120.40 127.96 1cqy s VAL 437 Ca -0.02 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1cqy s VAL 437 Cb -0.06 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1cqy s VAL 437 CO -0.00 0.54 0.15 -0.31 0.00 0.00 0.00 175.10 175.47 1cqy s TYR 438 N -0.46 1.61 0.03 5.22 2.02 -0.61 -0.80 117.35 124.37 1cqy s TYR 438 Ca 0.14 -1.33 -0.00 0.00 -0.37 0.00 0.00 57.07 55.51 1cqy s TYR 438 Cb -0.12 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1cqy s TYR 438 CO 0.03 -0.47 -0.03 0.96 -1.57 0.00 0.00 175.55 174.47 1cqy s ILE 439 N -3.60 0.16 0.15 2.71 -4.36 -0.52 -0.72 121.20 115.02 1cqy s ILE 439 Ca 0.35 -1.30 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 1cqy s ILE 439 Cb 0.05 -0.81 0.03 0.00 1.25 0.00 0.00 42.46 42.98 1cqy s ILE 439 CO 0.17 -0.72 0.44 0.28 0.24 0.00 0.00 174.94 175.35 1cqy s THR 440 N -2.53 0.05 0.00 8.37 -1.32 -0.85 -1.64 115.64 117.71 1cqy s THR 440 Ca -0.06 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 1cqy s THR 440 Cb -0.02 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 1cqy s THR 440 CO -0.05 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1cqy n GLY 441 N -0.27 2.09 0.23 6.08 0.00 -1.15 -1.27 105.19 110.91 1cqy n GLY 441 Ca -0.14 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.12 1cqy n GLY 441 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cqy h ASN 442 N 0.00 0.00 -3.49 1.61 -1.07 -1.54 0.13 115.58 111.22 1cqy h ASN 442 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 1cqy h ASN 442 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1cqy h ASN 442 CO 0.00 0.00 -0.05 -0.13 0.07 0.00 0.00 177.43 177.32 1cqy s ARG 443 N -3.53 3.89 0.23 4.14 1.81 -1.26 -4.62 118.95 119.61 1cqy s ARG 443 Ca 0.03 0.42 -0.07 0.00 -1.72 0.00 0.00 55.73 54.39 1cqy s ARG 443 Cb 0.09 -2.65 0.30 0.00 -0.45 0.00 0.00 34.95 32.25 1cqy s ARG 443 CO 0.50 0.31 1.83 0.00 -0.68 0.00 0.00 175.30 177.26 1cqy h ALA 444 N 2.66 1.08 0.00 2.13 0.00 -1.93 0.44 119.26 123.64 1cqy h ALA 444 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cqy h ALA 444 Cb 1.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1cqy h ALA 444 CO 0.68 0.19 0.00 0.39 0.00 0.00 0.00 179.25 180.50 1cqy n GLU 445 N -4.68 0.13 0.00 0.00 4.71 -1.26 -0.31 120.64 119.22 1cqy n GLU 445 Ca 0.11 0.59 0.08 0.00 -0.01 0.00 0.00 57.16 57.93 1cqy n GLU 445 Cb 0.18 -1.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.72 1cqy n GLU 445 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cqy n LEU 446 N -2.17 1.75 0.00 -4.62 7.99 0.14 -4.93 117.00 115.17 1cqy n LEU 446 Ca -0.01 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.21 1cqy n LEU 446 Cb 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1cqy n LEU 446 CO 0.10 0.33 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 1cqy n GLY 447 N 1.17 0.45 3.59 -0.72 0.00 0.57 -2.92 105.19 107.33 1cqy n GLY 447 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1cqy n GLY 447 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cqy n SER 448 N 0.00 -1.56 -1.13 1.61 7.64 -0.77 -2.32 113.62 117.10 1cqy n SER 448 Ca 0.00 -0.74 -0.15 0.00 1.01 0.00 0.00 58.87 58.99 1cqy n SER 448 Cb 0.00 -4.48 -0.06 0.00 -1.01 0.00 0.00 64.21 58.66 1cqy n SER 448 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1cqy n TRP 449 N -4.21 0.00 -3.18 1.43 7.02 0.42 -4.93 117.44 113.99 1cqy n TRP 449 Ca -0.29 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 55.80 1cqy n TRP 449 Cb 0.67 -2.78 -0.05 0.00 -2.42 0.00 0.00 31.31 26.73 1cqy n TRP 449 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1cqy s ASP 450 N -2.70 6.88 -0.00 -0.99 -1.08 -0.98 -4.95 116.67 112.86 1cqy s ASP 450 Ca 0.00 1.06 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 1cqy s ASP 450 Cb 0.00 -2.36 -0.18 0.00 -1.46 0.00 0.00 42.92 38.92 1cqy s ASP 450 CO 0.00 -0.01 0.69 0.35 0.52 0.00 0.00 175.17 176.72 1cqy n THR 451 N 3.41 0.00 -0.02 1.71 -2.24 -1.26 -3.93 114.28 111.95 1cqy n THR 451 Ca -0.05 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1cqy n THR 451 Cb 0.51 0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1cqy n THR 451 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1cqy h LYS 452 N 0.00 0.00 0.00 -0.78 3.64 -1.97 -3.43 116.57 114.03 1cqy h LYS 452 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1cqy h LYS 452 Cb 0.40 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1cqy h LYS 452 CO 0.00 0.00 -0.38 1.96 -2.27 0.00 0.00 179.45 178.76 1cqy h GLN 453 N -0.30 0.00 -0.82 1.90 4.20 -1.98 -3.43 115.11 114.68 1cqy h GLN 453 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1cqy h GLN 453 Cb 0.03 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 27.52 1cqy h GLN 453 CO 0.00 0.20 0.26 0.66 -0.67 0.00 0.00 178.83 179.28 1cqy n TYR 454 N -4.65 2.71 -2.27 2.96 4.02 -1.26 -5.02 117.16 113.65 1cqy n TYR 454 Ca -0.08 -2.41 -0.34 0.00 -0.01 0.00 0.00 57.90 55.06 1cqy n TYR 454 Cb 0.24 -0.94 -0.00 0.00 -0.02 0.00 0.00 39.34 38.62 1cqy n TYR 454 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1cqy s PRO 455 N -3.59 3.45 -0.22 -0.72 0.04 -1.25 -4.17 135.00 128.53 1cqy s PRO 455 Ca 0.57 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1cqy s PRO 455 Cb 0.46 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 1cqy s PRO 455 CO 0.02 -0.74 0.49 0.42 0.04 0.00 0.00 177.00 177.24 1cqy s ILE 456 N -2.04 5.11 0.33 0.56 1.01 -0.65 -4.90 121.20 120.62 1cqy s ILE 456 Ca 0.68 0.88 -0.27 0.00 0.00 0.00 0.00 60.65 61.94 1cqy s ILE 456 Cb -0.19 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1cqy s ILE 456 CO 0.28 0.16 1.10 -1.58 0.00 0.00 0.00 174.94 174.91 1cqy s GLN 457 N 1.78 4.41 0.20 2.79 0.74 -1.26 -1.44 119.66 126.87 1cqy s GLN 457 Ca 0.22 1.75 0.09 0.00 0.05 0.00 0.00 55.36 57.47 1cqy s GLN 457 Cb -0.15 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 1cqy s GLN 457 CO 0.09 0.02 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.25 1cqy s LEU 458 N -1.95 2.98 0.04 3.68 1.43 0.02 -4.63 118.68 120.26 1cqy s LEU 458 Ca 0.50 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1cqy s LEU 458 Cb -0.29 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1cqy s LEU 458 CO 0.37 0.08 -0.18 -0.31 0.23 0.00 0.00 176.35 176.55 1cqy s TYR 459 N -1.85 1.56 -0.19 0.29 1.51 0.22 -4.49 117.35 114.41 1cqy s TYR 459 Ca 0.26 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1cqy s TYR 459 Cb -0.08 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1cqy s TYR 459 CO 0.16 0.07 1.13 -0.47 -1.11 0.00 0.00 175.55 175.33 1cqy s TYR 460 N -0.83 3.16 -0.45 2.71 5.04 -1.26 -0.35 117.35 125.37 1cqy s TYR 460 Ca 0.05 1.29 -0.14 0.00 -2.44 0.00 0.00 57.07 55.83 1cqy s TYR 460 Cb -0.08 -3.36 0.07 0.00 0.35 0.00 0.00 41.96 38.93 1cqy s TYR 460 CO 0.02 -0.97 0.34 0.34 -1.34 0.00 0.00 175.55 173.94 1cqy s ASP 461 N 1.50 5.99 0.57 4.32 3.68 0.23 -4.96 116.67 128.00 1cqy s ASP 461 Ca 0.49 -1.31 0.28 0.00 2.13 0.00 0.00 52.55 54.13 1cqy s ASP 461 Cb -0.18 -2.12 1.72 0.00 -1.45 0.00 0.00 42.92 40.89 1cqy s ASP 461 CO 0.11 -0.58 2.23 0.77 0.13 0.00 0.00 175.17 177.82 1cqy h SER 462 N 8.63 0.00 0.07 -0.34 4.64 -1.94 0.29 113.55 124.90 1cqy h SER 462 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1cqy h SER 462 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1cqy h SER 462 CO 0.82 0.01 -0.03 0.45 -0.87 0.00 0.00 176.83 177.21 1cqy h HIS 463 N 0.00 -0.09 0.00 4.77 3.86 -1.95 -3.28 115.15 118.46 1cqy h HIS 463 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cqy h HIS 463 Cb 0.04 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1cqy h HIS 463 CO 0.00 0.49 -0.01 0.66 0.86 0.00 0.00 177.93 179.93 1cqy h SER 464 N -0.83 0.00 -4.79 2.45 4.64 -1.99 -3.47 113.55 109.56 1cqy h SER 464 Ca -0.01 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 1cqy h SER 464 Cb 0.62 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.83 1cqy h SER 464 CO 0.02 0.00 -0.58 -3.20 -0.87 0.00 0.00 176.83 172.20 1cqy n ASN 465 N -2.72 -2.51 -2.47 4.97 4.05 0.10 -5.02 115.26 111.65 1cqy n ASN 465 Ca 0.05 -0.47 -0.10 0.00 0.45 0.00 0.00 54.58 54.51 1cqy n ASN 465 Cb 0.49 -4.04 -0.01 0.00 1.23 0.00 0.00 39.78 37.44 1cqy n ASN 465 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1cqy n ASP 466 N -2.54 -1.27 -4.49 1.20 3.85 -1.11 -4.77 116.55 107.42 1cqy n ASP 466 Ca -0.19 -2.37 -0.34 0.00 -0.71 0.00 0.00 54.79 51.18 1cqy n ASP 466 Cb 0.62 2.26 -0.12 0.00 -1.35 0.00 0.00 41.12 42.53 1cqy n ASP 466 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1cqy s TRP 467 N -3.55 2.99 0.08 2.11 0.51 -0.53 -0.60 118.94 119.94 1cqy s TRP 467 Ca 0.19 -0.32 -0.09 0.00 -2.12 0.00 0.00 56.10 53.76 1cqy s TRP 467 Cb -0.02 -1.92 -0.00 0.00 -0.81 0.00 0.00 33.47 30.73 1cqy s TRP 467 CO 0.14 -0.02 0.20 -0.98 -0.51 0.00 0.00 176.95 175.77 1cqy s ARG 468 N 0.24 0.84 0.00 4.98 1.70 0.53 -0.35 118.95 126.89 1cqy s ARG 468 Ca -0.04 -0.92 -0.28 0.00 -0.47 0.00 0.00 55.73 54.02 1cqy s ARG 468 Cb -0.14 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.67 1cqy s ARG 468 CO 0.03 -0.26 0.80 0.20 -1.08 0.00 0.00 175.30 174.99 1cqy s GLY 469 N -2.79 -0.49 0.04 3.88 0.00 -0.88 0.71 107.32 107.80 1cqy s GLY 469 Ca 0.04 1.10 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 1cqy s GLY 469 CO -0.10 0.50 0.22 -1.31 0.00 0.00 0.00 173.10 172.40 1cqy s ASN 470 N -2.13 6.38 -0.15 1.64 0.01 -1.26 -1.15 114.94 118.27 1cqy s ASN 470 Ca 0.01 0.34 -0.14 0.00 -0.71 0.00 0.00 52.86 52.36 1cqy s ASN 470 Cb -0.01 -1.99 0.04 0.00 0.41 0.00 0.00 41.25 39.70 1cqy s ASN 470 CO -0.05 0.20 0.41 0.54 -1.51 0.00 0.00 177.10 176.69 1cqy s VAL 471 N -1.44 -0.00 -0.18 1.60 0.11 0.01 -4.97 120.40 115.53 1cqy s VAL 471 Ca 0.32 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.14 1cqy s VAL 471 Cb -0.13 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1cqy s VAL 471 CO 0.24 0.00 0.78 -0.69 -3.33 0.00 0.00 175.10 172.10 1cqy s VAL 472 N 0.27 4.92 0.25 2.04 1.01 -1.26 -0.55 120.40 127.07 1cqy s VAL 472 Ca -0.00 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.58 1cqy s VAL 472 Cb -0.03 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1cqy s VAL 472 CO -0.00 0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.23 1cqy s LEU 473 N 2.13 2.57 -0.41 3.92 1.43 0.15 -4.89 118.68 123.58 1cqy s LEU 473 Ca 0.35 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 1cqy s LEU 473 Cb -0.16 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1cqy s LEU 473 CO 0.11 -0.10 1.17 -2.16 0.23 0.00 0.00 176.35 175.60 1cqy s PRO 474 N -3.59 3.81 0.43 1.29 0.04 -1.26 -0.74 135.00 134.97 1cqy s PRO 474 Ca 0.27 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1cqy s PRO 474 Cb -0.02 -3.88 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 1cqy s PRO 474 CO 0.11 -1.26 1.36 0.00 0.04 0.00 0.00 177.00 177.26 1cqy s ALA 475 N 4.36 3.23 0.00 8.56 0.00 -0.37 -2.72 121.76 134.82 1cqy s ALA 475 Ca 0.50 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1cqy s ALA 475 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1cqy s ALA 475 CO 0.27 -1.01 0.00 0.39 0.00 0.00 0.00 175.76 175.41 1cqy n GLU 476 N -0.07 -0.04 -4.25 0.00 1.02 -0.17 -4.68 120.64 112.45 1cqy n GLU 476 Ca 0.05 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 1cqy n GLU 476 Cb 0.43 -2.80 -0.09 0.00 -0.02 0.00 0.00 31.44 28.97 1cqy n GLU 476 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cqy s ARG 477 N -0.12 2.63 0.36 3.49 1.81 -1.10 -4.76 118.95 121.25 1cqy s ARG 477 Ca 0.00 -0.73 -0.19 0.00 -1.72 0.00 0.00 55.73 53.09 1cqy s ARG 477 Cb 0.00 -2.58 -0.10 0.00 -0.45 0.00 0.00 34.95 31.82 1cqy s ARG 477 CO 0.00 0.58 0.84 -0.80 -0.68 0.00 0.00 175.30 175.25 1cqy s ASN 478 N -1.86 6.92 0.06 0.23 0.01 -1.26 -1.55 114.94 117.49 1cqy s ASN 478 Ca 0.22 1.51 -0.03 0.00 -0.71 0.00 0.00 52.86 53.85 1cqy s ASN 478 Cb -0.11 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1cqy s ASN 478 CO 0.13 -0.24 0.03 0.27 -1.51 0.00 0.00 177.10 175.79 1cqy s ILE 479 N -1.99 0.19 -0.02 0.60 -4.36 -0.90 -4.96 121.20 109.76 1cqy s ILE 479 Ca 0.56 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 1cqy s ILE 479 Cb -0.11 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.18 1cqy s ILE 479 CO 0.16 -0.88 -0.05 -1.61 0.24 0.00 0.00 174.94 172.81 1cqy s GLU 480 N -3.80 0.52 0.27 0.37 2.02 -1.26 -2.06 118.70 114.75 1cqy s GLU 480 Ca 0.06 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.75 1cqy s GLU 480 Cb 0.06 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.77 1cqy s GLU 480 CO -0.10 0.05 0.54 -0.59 0.02 0.00 0.00 175.26 175.19 1cqy s PHE 481 N 0.21 0.28 -0.09 1.61 -0.12 -0.66 -1.29 117.98 117.92 1cqy s PHE 481 Ca -0.02 -0.67 -0.21 0.00 -0.05 0.00 0.00 56.93 55.98 1cqy s PHE 481 Cb -0.06 0.31 0.05 0.00 -0.63 0.00 0.00 43.02 42.69 1cqy s PHE 481 CO -0.00 -1.08 0.49 0.15 -0.05 0.00 0.00 175.22 174.73 1cqy s LYS 482 N -3.86 0.76 0.26 1.99 1.02 -0.39 -0.91 119.74 118.60 1cqy s LYS 482 Ca 0.20 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.46 1cqy s LYS 482 Cb -0.02 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1cqy s LYS 482 CO 0.09 -0.19 0.44 0.00 -0.92 0.00 0.00 175.35 174.77 1cqy s ALA 483 N -0.73 3.81 0.12 5.17 0.00 -1.26 -2.02 121.76 126.85 1cqy s ALA 483 Ca -0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1cqy s ALA 483 Cb -0.03 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1cqy s ALA 483 CO 0.05 0.24 0.36 -0.59 0.00 0.00 0.00 175.76 175.82 1cqy s PHE 484 N -2.04 -0.10 -0.16 0.00 -0.71 0.10 -0.04 117.98 115.02 1cqy s PHE 484 Ca 0.38 -0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 1cqy s PHE 484 Cb -0.10 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1cqy s PHE 484 CO 0.31 -0.68 -0.02 0.42 -1.34 0.00 0.00 175.22 173.91 1cqy s ILE 485 N -3.83 4.00 -0.08 -4.49 1.01 -0.36 -1.57 121.20 115.89 1cqy s ILE 485 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1cqy s ILE 485 Cb 0.02 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1cqy s ILE 485 CO -0.11 0.49 -0.15 -0.75 0.00 0.00 0.00 174.94 174.42 1cqy s LYS 486 N 0.39 2.00 0.69 2.79 2.20 -0.82 0.07 119.74 127.06 1cqy s LYS 486 Ca -0.03 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1cqy s LYS 486 Cb -0.14 -1.62 0.05 0.00 -1.51 0.00 0.00 37.83 34.60 1cqy s LYS 486 CO 0.03 0.05 1.02 -1.54 -0.36 0.00 0.00 175.35 174.54 1cqy s SER 487 N 0.64 5.04 0.24 1.43 1.04 0.11 -1.99 113.70 120.21 1cqy s SER 487 Ca -0.15 0.64 -0.05 0.00 0.48 0.00 0.00 55.95 56.87 1cqy s SER 487 Cb -0.16 -1.37 0.43 0.00 0.10 0.00 0.00 66.02 65.02 1cqy s SER 487 CO 0.04 -1.47 1.73 0.50 0.98 0.00 0.00 173.24 175.02 1cqy h LYS 488 N -0.56 0.41 0.00 4.02 3.64 -1.52 -1.05 116.57 121.51 1cqy h LYS 488 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1cqy h LYS 488 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1cqy h LYS 488 CO 0.62 0.27 0.00 -0.40 -2.27 0.00 0.00 179.45 177.67 1cqy n ASP 489 N -5.01 0.00 0.00 4.20 5.68 -1.26 -4.81 116.55 115.35 1cqy n ASP 489 Ca 0.13 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1cqy n ASP 489 Cb 0.39 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1cqy n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cqy n GLY 490 N -0.42 0.72 3.71 6.12 0.00 -0.40 -5.08 105.19 109.84 1cqy n GLY 490 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1cqy n GLY 490 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cqy s THR 491 N -2.00 4.79 -0.30 2.61 2.01 -1.25 -4.82 115.64 116.69 1cqy s THR 491 Ca 0.00 2.06 -0.18 0.00 0.31 0.00 0.00 61.69 63.88 1cqy s THR 491 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1cqy s THR 491 CO 0.00 0.19 0.51 -0.69 -0.69 0.00 0.00 174.62 173.94 1cqy s VAL 492 N 0.79 5.05 -0.10 3.82 1.01 -1.26 0.09 120.40 129.80 1cqy s VAL 492 Ca 0.51 0.66 -0.23 0.00 0.00 0.00 0.00 61.98 62.91 1cqy s VAL 492 Cb -0.21 -3.87 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 1cqy s VAL 492 CO 0.28 -0.03 0.75 0.11 0.00 0.00 0.00 175.10 176.21 1cqy h LYS 493 N 8.21 -0.04 -3.23 2.72 1.57 -0.74 -3.49 116.57 121.57 1cqy h LYS 493 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1cqy h LYS 493 Cb 1.14 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.36 1cqy h LYS 493 CO 0.73 0.66 0.08 -1.54 -0.57 0.00 0.00 179.45 178.81 1cqy s SER 494 N -5.93 -0.29 0.15 0.86 1.04 -1.25 -5.00 113.70 103.29 1cqy s SER 494 Ca -0.15 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 55.91 1cqy s SER 494 Cb -0.01 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1cqy s SER 494 CO 0.56 -1.11 -0.25 0.26 0.98 0.00 0.00 173.24 173.67 1cqy s TRP 495 N -3.88 2.27 0.47 5.02 0.52 -1.26 -1.23 118.94 120.86 1cqy s TRP 495 Ca 0.10 -0.38 -0.22 0.00 0.02 0.00 0.00 56.10 55.62 1cqy s TRP 495 Cb -0.02 -1.19 -0.09 0.00 -1.15 0.00 0.00 33.47 31.02 1cqy s TRP 495 CO -0.01 0.39 0.96 0.94 0.02 0.00 0.00 176.95 179.26 1cqy n GLN 496 N 0.66 1.19 0.30 4.98 7.27 0.94 -4.91 117.38 127.81 1cqy n GLN 496 Ca -0.16 0.44 -0.17 0.00 0.07 0.00 0.00 57.00 57.18 1cqy n GLN 496 Cb 0.54 -2.05 -0.08 0.00 2.41 0.00 0.00 30.24 31.06 1cqy n GLN 496 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1cqy h THR 497 N 1.21 0.30 -3.60 1.69 2.02 -1.87 -3.44 112.91 109.21 1cqy h THR 497 Ca -0.46 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.04 1cqy h THR 497 Cb 1.35 0.30 -0.18 0.00 -1.74 0.00 0.00 68.15 67.88 1cqy h THR 497 CO 0.55 0.00 -0.68 -0.63 0.37 0.00 0.00 175.52 175.12 1cqy s ILE 498 N -6.03 3.79 0.21 3.11 -1.09 -1.26 -5.08 121.20 114.85 1cqy s ILE 498 Ca -0.17 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 1cqy s ILE 498 Cb 0.05 -2.57 -0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1cqy s ILE 498 CO 0.63 0.56 1.40 -1.58 -1.23 0.00 0.00 174.94 174.71 1cqy s GLN 499 N -0.94 4.31 0.31 2.79 0.74 -1.26 -4.93 119.66 120.68 1cqy s GLN 499 Ca 0.14 2.20 0.06 0.00 0.05 0.00 0.00 55.36 57.80 1cqy s GLN 499 Cb -0.11 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 1cqy s GLN 499 CO 0.03 -0.37 0.43 -0.65 -0.55 0.00 0.00 175.29 174.18 1cqy s GLN 500 N -0.05 3.17 0.12 1.67 -1.52 -0.09 -4.96 119.66 118.00 1cqy s GLN 500 Ca 0.60 -0.97 -0.18 0.00 -1.95 0.00 0.00 55.36 52.86 1cqy s GLN 500 Cb -0.40 -2.82 0.04 0.00 -0.22 0.00 0.00 33.01 29.62 1cqy s GLN 500 CO 0.39 0.16 0.45 -1.54 -0.25 0.00 0.00 175.29 174.50 1cqy s SER 501 N -4.11 -0.32 -0.28 5.90 1.04 -1.26 -1.66 113.70 113.01 1cqy s SER 501 Ca 0.42 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.63 1cqy s SER 501 Cb -0.09 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.62 1cqy s SER 501 CO 0.30 -0.84 0.12 0.86 0.98 0.00 0.00 173.24 174.67 1cqy s TRP 502 N -3.52 0.36 -0.42 5.02 -0.11 -0.88 -5.00 118.94 114.39 1cqy s TRP 502 Ca 0.01 -0.85 0.00 0.00 1.22 0.00 0.00 56.10 56.48 1cqy s TRP 502 Cb 0.01 -0.91 0.11 0.00 -1.50 0.00 0.00 33.47 31.18 1cqy s TRP 502 CO -0.10 -0.80 0.18 -0.80 -4.62 0.00 0.00 176.95 170.81 1cqy s ASN 503 N 2.08 4.98 0.58 5.86 -0.87 -1.26 -2.13 114.94 124.19 1cqy s ASN 503 Ca 0.08 -2.28 0.09 0.00 -1.57 0.00 0.00 52.86 49.19 1cqy s ASN 503 Cb -0.16 -1.74 0.09 0.00 -0.02 0.00 0.00 41.25 39.42 1cqy s ASN 503 CO -0.33 -0.43 0.77 -2.16 -2.57 0.00 0.00 177.10 172.37 1cqy s PRO 504 N 0.77 2.27 0.14 -0.60 0.04 -1.26 -5.05 135.00 131.31 1cqy s PRO 504 Ca 0.11 -1.71 -0.31 0.00 0.04 0.00 0.00 61.00 59.13 1cqy s PRO 504 Cb -0.21 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 1cqy s PRO 504 CO -0.05 -0.87 1.45 0.08 0.04 0.00 0.00 177.00 177.64 1cqy s VAL 505 N -2.70 3.04 0.93 -0.36 1.01 -0.59 -4.85 120.40 116.88 1cqy s VAL 505 Ca 0.59 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 1cqy s VAL 505 Cb -0.05 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 33.00 1cqy s VAL 505 CO 0.37 0.07 1.11 -2.84 0.00 0.00 0.00 175.10 173.81 1cqy s PRO 506 N 0.97 0.92 0.09 2.72 0.02 -1.26 -1.00 135.00 137.45 1cqy s PRO 506 Ca 0.66 1.30 0.27 0.00 0.02 0.00 0.00 61.00 63.25 1cqy s PRO 506 Cb -0.39 -1.73 1.05 0.00 0.02 0.00 0.00 34.50 33.44 1cqy s PRO 506 CO 0.32 -2.62 1.85 -0.11 -0.33 0.00 0.00 177.00 176.11 1cqy n LEU 507 N -4.20 0.33 -4.45 -5.54 7.94 -1.26 -4.54 117.00 105.28 1cqy n LEU 507 Ca 0.09 0.53 -0.26 0.00 -1.11 0.00 0.00 56.01 55.27 1cqy n LEU 507 Cb 0.53 -0.43 -0.11 0.00 0.53 0.00 0.00 43.42 43.94 1cqy n LEU 507 CO 0.52 -0.09 -0.51 -1.59 -1.11 0.00 0.00 177.39 174.61 1cqy s LYS 508 N -3.05 1.60 -0.09 1.96 -2.85 -1.26 -5.01 119.74 111.04 1cqy s LYS 508 Ca 0.12 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.22 1cqy s LYS 508 Cb 0.16 -1.84 -0.04 0.00 -2.06 0.00 0.00 37.83 34.05 1cqy s LYS 508 CO 0.54 0.38 1.39 0.99 0.10 0.00 0.00 175.35 178.76 1cqy s THR 509 N -1.90 3.96 0.00 3.79 2.01 -1.26 -4.92 115.64 117.32 1cqy s THR 509 Ca 0.24 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1cqy s THR 509 Cb -0.07 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1cqy s THR 509 CO 0.12 -0.08 0.00 1.07 -0.69 0.00 0.00 174.62 175.04 1cqy n THR 510 N 5.18 0.00 -3.93 -0.82 5.66 -1.26 -5.04 114.28 114.07 1cqy n THR 510 Ca 0.14 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.06 1cqy n THR 510 Cb 0.44 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.14 1cqy n THR 510 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cqy s SER 511 N 1.37 0.23 -0.12 1.09 1.04 -1.26 -2.04 113.70 114.01 1cqy s SER 511 Ca 0.00 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1cqy s SER 511 Cb 0.00 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1cqy s SER 511 CO 0.00 -0.68 -0.16 -2.28 0.98 0.00 0.00 173.24 171.09 1cqy s HIS 512 N -3.83 2.12 -0.03 5.02 2.46 -0.66 -4.98 115.29 115.39 1cqy s HIS 512 Ca 0.05 -1.02 0.06 0.00 0.47 0.00 0.00 55.06 54.62 1cqy s HIS 512 Cb 0.06 -1.51 -0.02 0.00 -0.13 0.00 0.00 32.58 30.98 1cqy s HIS 512 CO -0.10 -0.51 -0.21 0.99 -2.47 0.00 0.00 174.74 172.43 1cqy s THR 513 N 0.98 2.45 0.18 0.89 2.01 -1.26 -0.55 115.64 120.34 1cqy s THR 513 Ca -0.06 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1cqy s THR 513 Cb -0.15 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1cqy s THR 513 CO -0.02 0.58 0.49 -0.94 -0.69 0.00 0.00 174.62 174.05 1cqy s SER 514 N -0.64 -0.24 0.10 3.53 1.04 -0.74 -5.00 113.70 111.75 1cqy s SER 514 Ca 0.10 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.11 1cqy s SER 514 Cb -0.10 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1cqy s SER 514 CO -0.00 -1.01 -0.05 -0.44 0.98 0.00 0.00 173.24 172.71 1cqy s SER 515 N -2.87 4.70 0.00 7.02 0.01 -1.26 -0.35 113.70 120.95 1cqy s SER 515 Ca 0.09 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1cqy s SER 515 Cb -0.00 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1cqy s SER 515 CO -0.04 0.17 0.29 1.87 0.41 0.00 0.00 173.24 175.94