#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqe s SER 423 N 0.00 -0.38 -0.00 1.61 0.01 -1.26 -5.17 113.70 108.51 2cqe s SER 423 Ca 0.00 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.76 2cqe s SER 423 Cb 0.00 0.59 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 2cqe s SER 423 CO 0.00 -0.36 0.03 -0.94 0.41 0.00 0.00 173.24 172.39 2cqe s SER 424 N -0.68 0.05 0.00 2.44 1.04 -1.26 -4.99 113.70 110.30 2cqe s SER 424 Ca -0.08 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2cqe s SER 424 Cb -0.04 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2cqe s SER 424 CO 0.04 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2cqe n GLY 425 N 2.43 0.52 0.10 7.32 0.00 -1.26 -5.07 105.19 109.23 2cqe n GLY 425 Ca -0.17 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 2cqe n GLY 425 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cqe h SER 426 N 0.00 0.18 -3.42 1.61 4.64 -2.08 -3.46 113.55 111.02 2cqe h SER 426 Ca 0.00 -0.81 -0.66 0.00 -0.47 0.00 0.00 61.79 59.85 2cqe h SER 426 Cb 0.00 -0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 61.78 2cqe h SER 426 CO 0.00 1.40 -0.74 -0.55 -0.87 0.00 0.00 176.83 176.07 2cqe s SER 427 N -6.76 4.24 -0.33 4.97 0.15 -1.26 -5.02 113.70 109.69 2cqe s SER 427 Ca -0.21 -0.24 0.17 0.00 0.70 0.00 0.00 55.95 56.36 2cqe s SER 427 Cb 0.02 -1.53 0.45 0.00 -1.71 0.00 0.00 66.02 63.26 2cqe s SER 427 CO 0.70 0.20 0.95 0.61 1.20 0.00 0.00 173.24 176.90 2cqe n GLY 428 N 3.29 1.74 2.82 9.45 0.00 -1.26 -5.01 105.19 116.21 2cqe n GLY 428 Ca -0.18 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2cqe n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqe s GLU 429 N -3.11 1.57 0.57 1.61 2.02 -1.26 -5.11 118.70 114.99 2cqe s GLU 429 Ca 0.28 -2.24 -0.12 0.00 0.02 0.00 0.00 54.97 52.91 2cqe s GLU 429 Cb 0.45 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2cqe s GLU 429 CO 0.03 -1.13 0.98 -0.51 0.02 0.00 0.00 175.26 174.65 2cqe s LEU 430 N 0.12 3.39 0.00 1.80 1.02 -1.26 -4.93 118.68 118.81 2cqe s LEU 430 Ca 0.17 1.39 0.12 0.00 0.02 0.00 0.00 54.13 55.83 2cqe s LEU 430 Cb -0.25 -4.39 0.73 0.00 0.02 0.00 0.00 46.19 42.30 2cqe s LEU 430 CO -0.00 -0.76 1.16 -0.81 0.02 0.00 0.00 176.35 175.96 2cqe n PRO 431 N -2.38 0.49 -4.17 1.29 -0.04 -1.26 -4.76 135.00 124.17 2cqe n PRO 431 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 2cqe n PRO 431 Cb 0.54 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 2cqe n PRO 431 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2cqe s LYS 432 N -2.00 1.85 0.01 0.54 1.02 -1.26 -4.85 119.74 115.05 2cqe s LYS 432 Ca 0.18 -1.87 0.01 0.00 0.02 0.00 0.00 55.97 54.32 2cqe s LYS 432 Cb 0.08 0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2cqe s LYS 432 CO 0.14 -0.73 -0.05 0.15 -0.92 0.00 0.00 175.35 173.94 2cqe s LYS 433 N -3.21 0.37 -0.47 1.68 1.02 0.58 -4.98 119.74 114.72 2cqe s LYS 433 Ca 0.35 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.99 2cqe s LYS 433 Cb 0.01 -0.25 0.52 0.00 -0.52 0.00 0.00 37.83 37.59 2cqe s LYS 433 CO 0.23 0.06 1.90 2.89 -0.92 0.00 0.00 175.35 179.51 2cqe n ARG 434 N 2.39 2.26 -4.35 1.68 -4.01 -1.26 -4.03 116.66 109.33 2cqe n ARG 434 Ca -0.17 -2.77 -0.30 0.00 -1.04 0.00 0.00 57.85 53.58 2cqe n ARG 434 Cb 0.57 -2.08 -0.11 0.00 -3.04 0.00 0.00 32.46 27.79 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 2cqe s GLU 435 N -3.11 1.87 -0.59 2.89 -6.30 -1.26 -4.98 118.70 107.22 2cqe s GLU 435 Ca 0.53 -1.13 -0.28 0.00 -2.50 0.00 0.00 54.97 51.59 2cqe s GLU 435 Cb 0.44 -2.15 0.03 0.00 0.00 0.00 0.00 34.13 32.45 2cqe s GLU 435 CO 0.06 0.49 1.24 -1.17 0.02 0.00 0.00 175.26 175.90 2cqe s LEU 436 N -2.03 3.42 0.05 2.70 2.96 -1.26 -2.16 118.68 122.35 2cqe s LEU 436 Ca 0.18 0.09 -0.38 0.00 -0.22 0.00 0.00 54.13 53.80 2cqe s LEU 436 Cb -0.11 -3.10 -0.19 0.00 0.50 0.00 0.00 46.19 43.30 2cqe s LEU 436 CO 0.10 -1.55 1.05 0.00 -1.32 0.00 0.00 176.35 174.63 2cqe n LYS 438 N 1.61 1.16 0.00 0.00 4.76 -1.26 -3.47 118.16 120.96 2cqe n LYS 438 Ca 0.19 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2cqe n LYS 438 Cb 0.13 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cqe n PHE 439 N 0.10 0.00 0.24 2.13 3.01 -1.26 -4.74 117.46 116.94 2cqe n PHE 439 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 2cqe n PHE 439 Cb 0.34 0.03 0.61 0.00 -0.01 0.00 0.00 39.48 40.45 2cqe n PHE 439 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2cqe h TYR 440 N 0.00 0.00 -1.15 1.38 3.20 -1.75 -2.66 116.97 115.99 2cqe h TYR 440 Ca 0.00 0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.23 2cqe h TYR 440 Cb 0.73 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.88 2cqe h TYR 440 CO 0.00 0.15 0.72 0.82 -1.64 0.00 0.00 178.16 178.21 2cqe h ILE 441 N 0.00 0.28 0.00 1.81 2.04 -1.85 0.21 117.51 120.00 2cqe h ILE 441 Ca -0.00 -0.08 -0.27 0.00 1.00 0.00 0.00 64.86 65.51 2cqe h ILE 441 Cb 0.32 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2cqe h ILE 441 CO 0.02 0.04 -2.22 1.07 0.00 0.00 0.00 178.15 177.06 2cqe n THR 442 N -4.78 1.01 0.00 -0.27 5.66 -1.06 -5.00 114.28 109.84 2cqe n THR 442 Ca 0.32 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2cqe n THR 442 Cb 1.15 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 2cqe n THR 442 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqe n GLY 443 N 1.72 1.27 3.38 1.09 0.00 0.06 -5.08 105.19 107.64 2cqe n GLY 443 Ca -0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 2cqe n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqe s PHE 444 N -2.00 3.25 -0.05 1.61 2.19 -1.13 -4.89 117.98 116.96 2cqe s PHE 444 Ca 0.00 -0.95 -0.01 0.00 0.33 0.00 0.00 56.93 56.30 2cqe s PHE 444 Cb 0.00 -3.08 0.03 0.00 -1.31 0.00 0.00 43.02 38.66 2cqe s PHE 444 CO 0.00 -0.78 0.03 0.00 1.83 0.00 0.00 175.22 176.31 2cqe h ALA 446 N 8.14 -0.44 -2.13 0.00 0.00 -1.96 -3.36 119.26 119.52 2cqe h ALA 446 Ca -0.21 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.09 2cqe h ALA 446 Cb 1.12 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 2cqe h ALA 446 CO 0.25 -0.50 0.46 1.03 0.00 0.00 0.00 179.25 180.49 2cqe s ARG 447 N -3.68 3.79 0.00 0.00 0.52 -1.26 -4.97 118.95 113.36 2cqe s ARG 447 Ca -0.04 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 2cqe s ARG 447 Cb 0.02 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2cqe s ARG 447 CO 0.16 -0.88 0.00 0.00 0.02 0.00 0.00 175.30 174.60 2cqe n ALA 448 N 6.54 0.00 1.53 2.13 0.00 -1.26 -3.51 120.51 125.94 2cqe n ALA 448 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2cqe n ALA 448 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 2cqe n ALA 448 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2cqe n GLU 449 N -0.65 1.20 -0.01 0.00 0.28 -1.26 -2.90 120.64 117.30 2cqe n GLU 449 Ca 0.00 -0.25 0.02 0.00 -0.16 0.00 0.00 57.16 56.78 2cqe n GLU 449 Cb 0.00 -1.19 0.02 0.00 1.43 0.00 0.00 31.44 31.70 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cqe n ASN 450 N -0.21 1.52 -4.60 -1.84 4.13 -1.26 -4.97 115.26 108.02 2cqe n ASN 450 Ca 0.02 -1.32 -0.43 0.00 1.68 0.00 0.00 54.58 54.54 2cqe n ASN 450 Cb 0.13 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.34 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cqe n PRO 452 N 7.68 0.49 -2.42 0.00 -0.04 -1.26 -4.74 135.00 134.71 2cqe n PRO 452 Ca 0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2cqe n PRO 452 Cb 0.49 -1.15 0.05 0.00 -0.04 0.00 0.00 33.50 32.85 2cqe n PRO 452 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cqe n TYR 453 N -0.65 -2.54 -3.57 0.54 4.02 -1.26 0.21 117.16 113.92 2cqe n TYR 453 Ca 0.03 -1.54 -0.37 0.00 -0.01 0.00 0.00 57.90 56.02 2cqe n TYR 453 Cb 0.02 -0.42 -0.08 0.00 -0.02 0.00 0.00 39.34 38.83 2cqe n TYR 453 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2cqe s MET 454 N -3.99 4.14 0.00 -0.72 -1.94 -0.92 -4.83 119.30 111.04 2cqe s MET 454 Ca 0.45 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.36 2cqe s MET 454 Cb -0.03 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.29 2cqe s MET 454 CO 0.29 0.08 0.00 0.72 -0.01 0.00 0.00 175.02 176.10 2cqe n HIS 455 N 4.17 0.00 -0.05 -0.03 8.25 -1.26 -3.68 115.22 122.62 2cqe n HIS 455 Ca -0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2cqe n HIS 455 Cb 0.52 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 2cqe n HIS 455 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2cqe h GLY 456 N 0.00 0.00 -0.72 -1.41 0.00 -1.94 -3.35 103.07 95.65 2cqe h GLY 456 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 2cqe h GLY 456 CO 0.00 0.00 0.08 1.22 0.00 0.00 0.00 176.54 177.84 2cqe n ASP 457 N -4.69 -0.03 -4.59 0.19 8.00 -1.26 -2.79 116.55 111.38 2cqe n ASP 457 Ca -0.00 1.23 -0.54 0.00 0.71 0.00 0.00 54.79 56.19 2cqe n ASP 457 Cb 0.01 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2cqe n PHE 458 N -4.93 1.47 -2.18 1.24 7.35 -1.26 -4.63 117.46 114.51 2cqe n PHE 458 Ca 0.19 0.69 -0.35 0.00 -0.76 0.00 0.00 57.45 57.22 2cqe n PHE 458 Cb 0.62 -2.31 0.01 0.00 0.35 0.00 0.00 39.48 38.15 2cqe n PHE 458 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cqe s PRO 459 N 0.80 3.27 0.48 -7.13 0.04 -1.26 -2.52 135.00 128.67 2cqe s PRO 459 Ca 0.87 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 63.29 2cqe s PRO 459 Cb -1.01 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 2cqe s PRO 459 CO 0.51 -0.91 1.03 0.00 0.04 0.00 0.00 177.00 177.66 2cqe h LYS 461 N 1.60 0.00 -0.51 0.00 3.64 -1.95 -3.34 116.57 116.01 2cqe h LYS 461 Ca -0.49 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2cqe h LYS 461 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 2cqe h LYS 461 CO 0.59 0.00 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.23 2cqe h LEU 462 N -0.15 -1.59 -0.99 5.20 3.38 -1.95 0.67 115.31 119.87 2cqe h LEU 462 Ca 0.00 0.24 0.26 0.00 0.09 0.00 0.00 57.88 58.47 2cqe h LEU 462 Cb 0.00 0.70 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2cqe h LEU 462 CO 0.00 -0.36 1.16 0.22 0.09 0.00 0.00 178.44 179.56 2cqe h TYR 463 N -0.28 0.00 0.00 1.13 3.20 -1.65 0.38 116.97 119.74 2cqe h TYR 463 Ca 0.14 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.70 2cqe h TYR 463 Cb 0.57 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 2cqe h TYR 463 CO -0.71 0.00 -2.02 0.72 -1.64 0.00 0.00 178.16 174.51 2cqe n HIS 464 N -3.19 0.01 -0.25 -3.82 8.25 0.20 -1.70 115.22 114.73 2cqe n HIS 464 Ca 0.20 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.83 2cqe n HIS 464 Cb 1.43 -0.83 0.32 0.00 1.12 0.00 0.00 29.99 32.03 2cqe n HIS 464 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cqe n THR 465 N -4.32 -0.31 0.00 1.59 -2.24 0.74 -2.82 114.28 106.91 2cqe n THR 465 Ca -0.41 1.56 0.00 0.00 -2.27 0.00 0.00 64.05 62.93 2cqe n THR 465 Cb 0.76 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 2cqe n THR 465 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cqe n THR 466 N -4.85 0.00 0.00 4.28 -2.24 -0.91 -5.06 114.28 105.50 2cqe n THR 466 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2cqe n THR 466 Cb 0.75 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2cqe n THR 466 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqe n GLY 467 N 2.74 4.04 3.87 3.38 0.00 -0.69 -5.07 105.19 113.46 2cqe n GLY 467 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 2cqe n GLY 467 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cqe s ASN 468 N -0.03 5.03 -0.06 1.61 2.47 -1.20 -4.50 114.94 118.27 2cqe s ASN 468 Ca 0.00 -0.75 0.04 0.00 0.42 0.00 0.00 52.86 52.57 2cqe s ASN 468 Cb 0.00 -0.58 -0.00 0.00 -1.45 0.00 0.00 41.25 39.22 2cqe s ASN 468 CO 0.00 -0.64 -0.19 0.00 -3.72 0.00 0.00 177.10 172.55 2cqe h ILE 470 N 5.39 1.24 -0.23 0.00 6.09 -2.00 -3.01 117.51 124.99 2cqe h ILE 470 Ca -0.30 -0.70 0.06 0.00 -1.37 0.00 0.00 64.86 62.55 2cqe h ILE 470 Cb 1.19 0.28 -0.07 0.00 0.47 0.00 0.00 36.82 38.69 2cqe h ILE 470 CO 0.47 0.29 -0.32 0.78 -3.07 0.00 0.00 178.15 176.31 2cqe h ASN 471 N 1.08 -1.03 0.00 2.19 4.21 -1.97 -3.49 115.58 116.57 2cqe h ASN 471 Ca 0.26 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.93 2cqe h ASN 471 Cb 0.13 0.46 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2cqe h ASN 471 CO -0.03 -0.34 0.00 0.61 -1.29 0.00 0.00 177.43 176.38 2cqe n GLY 472 N -1.41 0.62 0.20 2.83 0.00 -1.14 -4.72 105.19 101.57 2cqe n GLY 472 Ca -0.02 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.89 2cqe n GLY 472 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2cqe h ASP 473 N 0.00 0.00 -1.72 1.61 2.03 -1.94 -3.16 116.42 113.25 2cqe h ASP 473 Ca 0.00 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.56 2cqe h ASP 473 Cb 0.00 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 38.23 2cqe h ASP 473 CO 0.00 0.30 1.01 0.47 -1.03 0.00 0.00 179.24 179.99 2cqe n ASP 474 N -3.47 7.58 -4.81 4.15 8.00 -1.26 -5.00 116.55 121.74 2cqe n ASP 474 Ca -0.00 -3.82 -0.34 0.00 0.71 0.00 0.00 54.79 51.34 2cqe n ASP 474 Cb 0.47 -1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqe n MET 476 N -0.63 1.12 -4.22 0.00 0.00 -1.26 -4.79 117.12 107.34 2cqe n MET 476 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 57.70 57.51 2cqe n MET 476 Cb 0.53 -1.45 -0.11 0.00 0.00 0.00 0.00 33.22 32.19 2cqe n MET 476 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2cqe s PHE 477 N -1.19 1.23 -0.03 3.17 0.08 -1.26 -4.80 117.98 115.18 2cqe s PHE 477 Ca 0.02 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.13 2cqe s PHE 477 Cb 0.01 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 2cqe s PHE 477 CO 0.01 0.07 1.03 -1.12 -0.10 0.00 0.00 175.22 175.11 2cqe s SER 478 N -2.60 7.28 -0.32 1.36 0.01 -1.05 -4.83 113.70 113.55 2cqe s SER 478 Ca 0.09 1.67 0.10 0.00 1.31 0.00 0.00 55.95 59.12 2cqe s SER 478 Cb -0.02 -2.57 0.69 0.00 0.21 0.00 0.00 66.02 64.33 2cqe s SER 478 CO 0.01 -0.36 1.74 1.41 0.41 0.00 0.00 173.24 176.45 2cqe n HIS 479 N 4.32 2.21 -1.22 2.43 8.25 -1.26 -1.69 115.22 128.26 2cqe n HIS 479 Ca 0.07 -1.30 -0.31 0.00 -0.26 0.00 0.00 57.72 55.93 2cqe n HIS 479 Cb 0.49 -0.66 0.10 0.00 1.12 0.00 0.00 29.99 31.04 2cqe n HIS 479 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cqe s ASP 480 N -1.35 4.34 -0.17 0.41 1.01 -1.26 -4.94 116.67 114.70 2cqe s ASP 480 Ca 0.53 1.83 -0.29 0.00 0.71 0.00 0.00 52.55 55.32 2cqe s ASP 480 Cb 0.43 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.83 2cqe s ASP 480 CO 0.11 -2.14 1.58 -2.16 0.21 0.00 0.00 175.17 172.77 2cqe s PRO 481 N -4.89 3.95 0.35 8.23 0.04 -1.26 -4.94 135.00 136.47 2cqe s PRO 481 Ca 0.62 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 63.21 2cqe s PRO 481 Cb -0.18 -3.99 -0.16 0.00 0.04 0.00 0.00 34.50 30.22 2cqe s PRO 481 CO 0.56 -1.10 0.22 1.28 0.04 0.00 0.00 177.00 178.00 2cqe n LEU 482 N 7.87 -2.34 -4.25 -3.56 4.77 -1.26 -4.98 117.00 113.25 2cqe n LEU 482 Ca 0.18 0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 56.92 2cqe n LEU 482 Cb 0.45 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 2cqe n LEU 482 CO 0.63 -3.83 -0.40 0.42 -1.33 0.00 0.00 177.39 172.88 2cqe s THR 483 N -1.48 1.13 0.51 -5.08 -4.23 -1.26 -4.89 115.64 100.32 2cqe s THR 483 Ca 0.61 -2.05 0.41 0.00 -1.18 0.00 0.00 61.69 59.47 2cqe s THR 483 Cb -0.72 -1.86 0.62 0.00 1.34 0.00 0.00 72.50 71.88 2cqe s THR 483 CO 0.61 -0.74 1.61 -0.08 -0.54 0.00 0.00 174.62 175.48 2cqe h GLU 484 N 2.78 0.02 0.00 3.99 4.81 -1.98 0.59 114.58 124.79 2cqe h GLU 484 Ca -0.37 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2cqe h GLU 484 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2cqe h GLU 484 CO 0.64 0.02 0.00 -1.91 -0.73 0.00 0.00 179.01 177.02 2cqe n GLU 485 N -4.30 0.00 -0.16 1.92 2.13 -1.26 -3.66 120.64 115.31 2cqe n GLU 485 Ca 0.40 0.42 -0.04 0.00 0.66 0.00 0.00 57.16 58.61 2cqe n GLU 485 Cb 1.72 -0.96 0.03 0.00 0.27 0.00 0.00 31.44 32.50 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2cqe h THR 486 N 0.00 0.39 -0.97 6.31 1.35 -1.77 -1.51 112.91 116.71 2cqe h THR 486 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.03 2cqe h THR 486 Cb 0.00 0.39 -0.17 0.00 -1.73 0.00 0.00 68.15 66.65 2cqe h THR 486 CO 0.00 0.00 -0.33 -1.14 -0.25 0.00 0.00 175.52 173.80 2cqe n ARG 487 N -5.40 -0.18 -0.15 4.72 0.00 0.20 0.37 116.66 116.23 2cqe n ARG 487 Ca 0.04 1.51 -0.03 0.00 -0.00 0.00 0.00 57.85 59.37 2cqe n ARG 487 Cb 0.30 -2.24 0.03 0.00 0.00 0.00 0.00 32.46 30.55 2cqe n ARG 487 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2cqe h GLU 488 N 0.00 0.02 -0.29 -0.14 4.81 -1.34 -2.70 114.58 114.93 2cqe h GLU 488 Ca 0.39 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 2cqe h GLU 488 Cb 0.63 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2cqe h GLU 488 CO -0.98 0.01 -0.27 -0.07 -0.73 0.00 0.00 179.01 176.97 2cqe h LEU 489 N 0.02 -0.95 -1.00 1.64 3.38 -0.04 -1.51 115.31 116.85 2cqe h LEU 489 Ca 0.23 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.45 2cqe h LEU 489 Cb 0.35 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 41.36 2cqe h LEU 489 CO -0.46 -0.17 -0.50 -0.07 0.09 0.00 0.00 178.44 177.33 2cqe h LEU 490 N -0.13 -1.84 -0.99 1.67 3.38 -1.32 0.94 115.31 117.02 2cqe h LEU 490 Ca 0.05 0.32 0.32 0.00 0.09 0.00 0.00 57.88 58.66 2cqe h LEU 490 Cb 0.26 0.87 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 2cqe h LEU 490 CO -0.34 -0.26 0.54 0.44 0.09 0.00 0.00 178.44 178.91 2cqe h ASP 491 N -0.00 0.47 0.04 -0.43 5.19 -1.14 0.36 116.42 120.90 2cqe h ASP 491 Ca 0.25 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.85 2cqe h ASP 491 Cb 0.50 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2cqe h ASP 491 CO -0.96 -0.14 -0.02 0.50 -3.12 0.00 0.00 179.24 175.49 2cqe h LYS 492 N 0.31 -0.05 0.22 3.56 1.63 0.13 -2.83 116.57 119.54 2cqe h LYS 492 Ca 0.72 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.52 2cqe h LYS 492 Cb 1.64 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.26 2cqe h LYS 492 CO -0.62 0.60 -0.29 1.98 -3.45 0.00 0.00 179.45 177.68 2cqe h MET 493 N -0.89 -0.50 -0.35 1.90 4.05 0.95 0.33 114.93 120.42 2cqe h MET 493 Ca -0.01 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.52 2cqe h MET 493 Cb 0.68 0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 31.51 2cqe h MET 493 CO 0.01 -0.34 -0.41 -0.07 0.23 0.00 0.00 176.91 176.34 2cqe h LEU 494 N -0.52 -1.34 -0.36 3.39 3.38 -0.53 0.18 115.31 119.51 2cqe h LEU 494 Ca -0.03 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2cqe h LEU 494 Cb 0.47 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 2cqe h LEU 494 CO -0.07 -0.37 -0.37 0.00 0.09 0.00 0.00 178.44 177.71 2cqe h ALA 495 N 0.43 -0.33 -0.31 1.53 0.00 -1.37 -1.51 119.26 117.70 2cqe h ALA 495 Ca 0.13 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2cqe h ALA 495 Cb 0.58 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2cqe h ALA 495 CO -0.53 -0.80 0.05 0.22 0.00 0.00 0.00 179.25 178.19 2cqe h ASP 496 N -0.31 -0.02 -0.88 0.00 3.58 -0.11 0.59 116.42 119.26 2cqe h ASP 496 Ca 0.15 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.73 2cqe h ASP 496 Cb 0.57 0.08 -0.11 0.00 1.72 0.00 0.00 39.33 41.59 2cqe h ASP 496 CO -0.53 0.03 -0.52 -0.67 -2.88 0.00 0.00 179.24 174.67 2cqe n ASP 497 N -5.10 -0.94 -0.04 2.28 -0.08 0.55 -0.13 116.55 113.09 2cqe n ASP 497 Ca 0.00 1.63 -0.06 0.00 -1.51 0.00 0.00 54.79 54.85 2cqe n ASP 497 Cb 0.14 -0.23 -0.05 0.00 2.34 0.00 0.00 41.12 43.32 2cqe n ASP 497 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cqe h ALA 498 N 0.39 -0.04 -0.77 -1.67 0.00 -1.29 -3.33 119.26 112.54 2cqe h ALA 498 Ca 0.14 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.09 2cqe h ALA 498 Cb 0.36 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 2cqe h ALA 498 CO -0.83 -0.05 0.08 -1.91 0.00 0.00 0.00 179.25 176.54 2cqe n GLU 499 N -4.75 -0.06 -1.09 0.00 4.07 0.20 -4.38 120.64 114.64 2cqe n GLU 499 Ca -0.04 1.14 -0.28 0.00 -0.06 0.00 0.00 57.16 57.92 2cqe n GLU 499 Cb 0.19 -1.85 -0.12 0.00 -0.06 0.00 0.00 31.44 29.60 2cqe n GLU 499 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cqe n ALA 500 N -3.15 0.28 0.04 4.31 0.00 0.82 -4.64 120.51 118.17 2cqe n ALA 500 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2cqe n ALA 500 Cb 0.65 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2cqe n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqe n GLY 501 N 4.63 -0.04 3.97 0.00 0.00 -1.26 -5.06 105.19 107.43 2cqe n GLY 501 Ca 0.48 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 2cqe n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqe s ALA 502 N -2.00 3.20 0.10 4.61 0.00 -1.26 -5.12 121.76 121.28 2cqe s ALA 502 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 2cqe s ALA 502 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2cqe s ALA 502 CO 0.00 -1.80 0.22 -1.83 0.00 0.00 0.00 175.76 172.36 2cqe s GLU 503 N -5.40 0.89 -0.30 0.00 -1.05 -1.26 -5.16 118.70 106.42 2cqe s GLU 503 Ca 0.69 -0.94 -0.13 0.00 -0.15 0.00 0.00 54.97 54.44 2cqe s GLU 503 Cb -0.05 0.36 0.15 0.00 -0.44 0.00 0.00 34.13 34.16 2cqe s GLU 503 CO 0.47 -0.29 0.86 0.34 0.95 0.00 0.00 175.26 177.59 2cqe s ASP 504 N -2.86 -0.79 0.71 0.83 2.15 -1.26 -5.17 116.67 110.28 2cqe s ASP 504 Ca 0.05 1.06 -0.07 0.00 0.43 0.00 0.00 52.55 54.01 2cqe s ASP 504 Cb 0.04 1.89 0.06 0.00 -0.30 0.00 0.00 42.92 44.61 2cqe s ASP 504 CO -0.11 -0.15 1.03 -1.61 -0.17 0.00 0.00 175.17 174.16 2cqe s GLU 505 N 2.63 2.24 0.75 4.34 2.02 -1.26 -5.08 118.70 124.33 2cqe s GLU 505 Ca -0.03 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 2cqe s GLU 505 Cb -0.08 -2.14 0.07 0.00 0.10 0.00 0.00 34.13 32.08 2cqe s GLU 505 CO -0.18 -1.25 1.08 0.15 0.02 0.00 0.00 175.26 175.09 2cqe s LYS 506 N -5.28 2.07 0.30 1.61 1.02 -1.26 -5.11 119.74 113.09 2cqe s LYS 506 Ca 0.60 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.49 2cqe s LYS 506 Cb -0.11 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 2cqe s LYS 506 CO 0.46 -1.40 0.08 -1.83 -0.92 0.00 0.00 175.35 171.73 2cqe s GLU 507 N -5.39 1.56 -0.25 1.68 -1.05 -1.26 -5.14 118.70 108.85 2cqe s GLU 507 Ca 0.61 -1.86 0.03 0.00 -0.15 0.00 0.00 54.97 53.60 2cqe s GLU 507 Cb -0.11 -0.59 0.06 0.00 -0.44 0.00 0.00 34.13 33.05 2cqe s GLU 507 CO 0.47 -0.25 -0.11 0.54 0.95 0.00 0.00 175.26 176.86 2cqe s VAL 508 N -3.49 2.10 0.82 1.83 0.11 -1.26 -5.12 120.40 115.39 2cqe s VAL 508 Ca 0.37 -1.57 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 2cqe s VAL 508 Cb 0.08 -2.22 0.09 0.00 -1.53 0.00 0.00 36.38 32.80 2cqe s VAL 508 CO 0.15 -0.02 1.10 -0.70 -3.33 0.00 0.00 175.10 172.30 2cqe s GLU 509 N 1.14 1.86 0.58 1.54 2.12 -1.26 -4.97 118.70 119.71 2cqe s GLU 509 Ca -0.08 1.20 -0.20 0.00 0.36 0.00 0.00 54.97 56.25 2cqe s GLU 509 Cb -0.20 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 2cqe s GLU 509 CO -0.05 -1.93 1.29 -1.21 -0.54 0.00 0.00 175.26 172.82 2cqe s GLU 510 N -4.85 2.96 0.36 4.30 8.01 -1.26 -4.99 118.70 123.23 2cqe s GLU 510 Ca 0.63 2.07 -0.05 0.00 0.01 0.00 0.00 54.97 57.62 2cqe s GLU 510 Cb -0.18 -2.07 0.08 0.00 -4.31 0.00 0.00 34.13 27.65 2cqe s GLU 510 CO 0.57 -1.28 0.18 1.28 0.01 0.00 0.00 175.26 176.01 2cqe n LEU 511 N -1.39 0.00 -2.22 1.80 4.77 -1.26 -4.65 117.00 114.05 2cqe n LEU 511 Ca 0.13 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 2cqe n LEU 511 Cb 0.47 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 2cqe n LEU 511 CO 0.49 -1.71 1.43 2.29 -1.33 0.00 0.00 177.39 178.56 2cqe n LYS 512 N -1.68 1.56 -1.47 3.23 2.85 -1.26 -4.92 118.16 116.48 2cqe n LYS 512 Ca 0.03 -0.81 -0.57 0.00 -1.05 0.00 0.00 58.31 55.91 2cqe n LYS 512 Cb 0.12 -1.92 -0.08 0.00 -0.65 0.00 0.00 35.03 32.50 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2cqe n LYS 513 N 2.73 0.00 -3.69 -1.58 4.81 -1.26 -4.90 118.16 114.26 2cqe n LYS 513 Ca 0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.74 2cqe n LYS 513 Cb 0.64 -1.35 -0.01 0.00 0.02 0.00 0.00 35.03 34.32 2cqe n LYS 513 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2cqe s SER 514 N 1.38 -0.18 -0.29 3.14 0.15 -1.26 -5.18 113.70 111.46 2cqe s SER 514 Ca 0.88 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 57.04 2cqe s SER 514 Cb -1.25 0.41 0.17 0.00 -1.71 0.00 0.00 66.02 63.64 2cqe s SER 514 CO 0.63 -0.74 1.19 -0.83 1.20 0.00 0.00 173.24 174.68 2cqe s GLY 515 N -2.87 0.25 0.63 9.45 0.00 -1.26 -5.18 107.32 108.34 2cqe s GLY 515 Ca 0.11 3.36 -0.11 0.00 0.00 0.00 0.00 44.72 48.09 2cqe s GLY 515 CO -0.00 2.34 0.56 -1.55 0.00 0.00 0.00 173.10 174.45 2cqe n PRO 516 N 2.72 -2.12 -3.70 2.90 -0.04 -1.26 -5.10 135.00 128.41 2cqe n PRO 516 Ca -0.15 -0.90 -0.13 0.00 -0.04 0.00 0.00 63.50 62.28 2cqe n PRO 516 Cb 0.57 -0.84 -0.09 0.00 -0.04 0.00 0.00 33.50 33.10 2cqe n PRO 516 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cqe s SER 517 N -3.02 -0.51 0.43 3.54 0.01 -1.26 -5.18 113.70 107.71 2cqe s SER 517 Ca 0.36 0.97 0.06 0.00 1.31 0.00 0.00 55.95 58.66 2cqe s SER 517 Cb -0.04 0.98 -0.06 0.00 0.21 0.00 0.00 66.02 67.12 2cqe s SER 517 CO 0.28 -0.19 0.08 -0.44 0.41 0.00 0.00 173.24 173.38 2cqe s SER 518 N 0.19 4.11 0.00 2.44 0.01 -1.26 -5.39 113.70 113.79 2cqe s SER 518 Ca -0.01 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2cqe s SER 518 Cb -0.03 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2cqe s SER 518 CO 0.01 -0.55 0.34 0.61 0.41 0.00 0.00 173.24 174.06