#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqe n SER 423 N 0.00 -4.86 -4.81 1.61 7.64 -1.26 -4.98 113.62 106.95 2cqe n SER 423 Ca 0.00 -0.46 -0.34 0.00 1.01 0.00 0.00 58.87 59.08 2cqe n SER 423 Cb 0.00 -4.26 -0.07 0.00 -1.01 0.00 0.00 64.21 58.87 2cqe n SER 423 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqe s SER 424 N -3.45 7.01 0.00 6.43 1.04 -1.26 -5.08 113.70 118.40 2cqe s SER 424 Ca 0.38 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.53 2cqe s SER 424 Cb -0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2cqe s SER 424 CO 0.60 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2cqe n GLY 425 N -0.41 1.82 3.84 7.32 0.00 -1.26 -5.16 105.19 111.35 2cqe n GLY 425 Ca 0.06 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 2cqe n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqe s SER 426 N -1.00 -0.19 0.12 1.61 1.04 -1.26 -5.17 113.70 108.84 2cqe s SER 426 Ca 0.00 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2cqe s SER 426 Cb 0.00 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 2cqe s SER 426 CO 0.00 -1.43 0.22 -0.94 0.98 0.00 0.00 173.24 172.07 2cqe s SER 427 N -2.96 6.15 -0.46 7.02 1.04 -1.26 -5.04 113.70 118.20 2cqe s SER 427 Ca 0.12 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.73 2cqe s SER 427 Cb -0.06 -1.82 0.43 0.00 0.10 0.00 0.00 66.02 64.68 2cqe s SER 427 CO 0.08 0.10 1.36 0.61 0.98 0.00 0.00 173.24 176.37 2cqe n GLY 428 N -0.20 6.09 3.72 7.32 0.00 -1.26 -5.05 105.19 115.82 2cqe n GLY 428 Ca -0.07 -2.64 -0.42 0.00 0.00 0.00 0.00 46.02 42.89 2cqe n GLY 428 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cqe s GLU 429 N -3.66 4.12 0.25 1.61 2.56 -1.26 -4.99 118.70 117.32 2cqe s GLU 429 Ca 0.52 2.61 0.02 0.00 0.00 0.00 0.00 54.97 58.12 2cqe s GLU 429 Cb 0.42 -3.07 -0.03 0.00 2.00 0.00 0.00 34.13 33.45 2cqe s GLU 429 CO -0.11 -0.75 0.41 -0.51 -0.56 0.00 0.00 175.26 173.75 2cqe s LEU 430 N 1.01 4.21 0.00 2.70 1.02 -1.26 -4.97 118.68 121.39 2cqe s LEU 430 Ca 0.74 0.28 0.11 0.00 0.02 0.00 0.00 54.13 55.28 2cqe s LEU 430 Cb -0.50 -3.08 0.65 0.00 0.02 0.00 0.00 46.19 43.29 2cqe s LEU 430 CO 0.34 -0.11 1.09 -0.81 0.02 0.00 0.00 176.35 176.87 2cqe n PRO 431 N -1.20 0.49 -3.15 1.29 -0.04 -1.26 -4.74 135.00 126.39 2cqe n PRO 431 Ca -0.06 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.01 2cqe n PRO 431 Cb 0.56 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 4.35 0.11 0.54 -0.14 -1.26 -4.91 119.74 116.43 2cqe s LYS 432 Ca 0.16 0.90 0.08 0.00 -1.36 0.00 0.00 55.97 55.75 2cqe s LYS 432 Cb 0.07 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 2cqe s LYS 432 CO 0.13 0.58 -0.12 0.15 -0.76 0.00 0.00 175.35 175.32 2cqe s LYS 433 N -1.00 2.03 -0.38 1.68 1.02 0.16 -5.05 119.74 118.19 2cqe s LYS 433 Ca 0.32 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 55.30 2cqe s LYS 433 Cb -0.21 -2.25 0.44 0.00 -0.52 0.00 0.00 37.83 35.29 2cqe s LYS 433 CO 0.22 0.50 1.20 0.54 -0.92 0.00 0.00 175.35 176.89 2cqe n ARG 434 N 0.74 3.48 -4.42 1.68 3.00 -1.26 -4.17 116.66 115.71 2cqe n ARG 434 Ca -0.14 -4.28 -0.27 0.00 -0.01 0.00 0.00 57.85 53.15 2cqe n ARG 434 Cb 0.52 -2.27 -0.12 0.00 0.00 0.00 0.00 32.46 30.60 2cqe n ARG 434 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2cqe s GLU 435 N -3.59 1.52 0.08 5.56 2.02 -1.26 -4.86 118.70 118.16 2cqe s GLU 435 Ca 0.50 -1.53 -0.31 0.00 0.02 0.00 0.00 54.97 53.65 2cqe s GLU 435 Cb 0.41 -1.83 -0.07 0.00 0.10 0.00 0.00 34.13 32.75 2cqe s GLU 435 CO -0.08 0.39 1.34 -1.17 0.02 0.00 0.00 175.26 175.76 2cqe s LEU 436 N -2.70 4.36 0.18 1.80 2.96 -1.26 -1.03 118.68 122.98 2cqe s LEU 436 Ca 0.21 2.19 -0.31 0.00 -0.22 0.00 0.00 54.13 56.00 2cqe s LEU 436 Cb -0.08 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 2cqe s LEU 436 CO 0.10 -0.61 1.48 0.00 -1.32 0.00 0.00 176.35 175.99 2cqe n LYS 438 N 3.44 0.72 -0.03 0.00 4.01 -1.26 -3.43 118.16 121.60 2cqe n LYS 438 Ca 0.11 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.84 2cqe n LYS 438 Cb 0.40 -1.37 -0.03 0.00 -0.51 0.00 0.00 35.03 33.52 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cqe n PHE 439 N -0.87 0.00 -0.33 2.13 3.72 -1.26 -4.66 117.46 116.19 2cqe n PHE 439 Ca 0.13 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.79 2cqe n PHE 439 Cb 0.06 -0.25 0.57 0.00 -0.94 0.00 0.00 39.48 38.91 2cqe n PHE 439 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2cqe h TYR 440 N -0.19 0.53 -1.55 1.38 3.20 -1.78 0.51 116.97 119.07 2cqe h TYR 440 Ca -0.17 0.02 0.49 0.00 3.14 0.00 0.00 58.73 62.21 2cqe h TYR 440 Cb 1.17 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 39.18 2cqe h TYR 440 CO -0.02 0.02 1.05 0.82 -1.64 0.00 0.00 178.16 178.39 2cqe h ILE 441 N 0.29 0.06 0.00 1.81 2.04 -1.82 0.35 117.51 120.24 2cqe h ILE 441 Ca 0.61 -0.01 -0.38 0.00 1.00 0.00 0.00 64.86 66.08 2cqe h ILE 441 Cb 1.74 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2cqe h ILE 441 CO -0.26 0.01 -2.40 0.35 0.00 0.00 0.00 178.15 175.85 2cqe n THR 442 N -4.44 1.43 0.00 -0.27 -2.24 0.15 -5.01 114.28 103.89 2cqe n THR 442 Ca 0.40 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2cqe n THR 442 Cb 1.66 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2cqe n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqe n GLY 443 N 1.91 1.32 3.31 3.38 0.00 0.12 -5.07 105.19 110.17 2cqe n GLY 443 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 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 3.33 -0.18 1.61 2.19 -1.25 -4.92 117.98 116.76 2cqe s PHE 444 Ca 0.00 -1.40 -0.03 0.00 0.33 0.00 0.00 56.93 55.83 2cqe s PHE 444 Cb 0.00 -3.80 0.05 0.00 -1.31 0.00 0.00 43.02 37.97 2cqe s PHE 444 CO 0.00 -1.01 0.03 0.00 1.83 0.00 0.00 175.22 176.06 2cqe h ALA 446 N 8.25 -0.44 -1.97 0.00 0.00 -2.00 -3.32 119.26 119.79 2cqe h ALA 446 Ca -0.17 0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 2cqe h ALA 446 Cb 1.12 1.30 -0.11 0.00 0.00 0.00 0.00 17.79 20.10 2cqe h ALA 446 CO 0.33 -0.77 0.56 1.03 0.00 0.00 0.00 179.25 180.40 2cqe s ARG 447 N -4.98 3.59 0.00 0.00 0.52 -1.26 -4.95 118.95 111.87 2cqe s ARG 447 Ca -0.10 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 2cqe s ARG 447 Cb 0.09 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.66 2cqe s ARG 447 CO 0.49 -1.14 0.00 0.00 0.02 0.00 0.00 175.30 174.67 2cqe n ALA 448 N 7.02 0.00 1.88 2.13 0.00 -1.25 -3.56 120.51 126.73 2cqe n ALA 448 Ca 0.06 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2cqe n ALA 448 Cb 0.48 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.71 2cqe n ALA 448 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cqe n GLU 449 N -0.72 1.14 0.00 0.00 -0.58 -1.26 -3.00 120.64 116.22 2cqe n GLU 449 Ca 0.00 -0.21 0.10 0.00 -0.42 0.00 0.00 57.16 56.63 2cqe n GLU 449 Cb 0.00 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2cqe n GLU 449 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2cqe n ASN 450 N -0.71 1.82 -4.61 1.62 5.15 -1.26 -4.92 115.26 112.35 2cqe n ASN 450 Ca 0.21 -1.41 -0.43 0.00 -0.60 0.00 0.00 54.58 52.35 2cqe n ASN 450 Cb 0.15 0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 39.88 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cqe n PRO 452 N 8.04 0.49 -2.28 0.00 -0.04 -1.26 -4.74 135.00 135.20 2cqe n PRO 452 Ca 0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2cqe n PRO 452 Cb 0.46 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.86 -2.50 -3.71 0.54 4.02 -1.26 0.38 117.16 113.76 2cqe n TYR 453 Ca 0.08 -1.35 -0.37 0.00 -0.01 0.00 0.00 57.90 56.25 2cqe n TYR 453 Cb 0.04 -0.35 -0.06 0.00 -0.02 0.00 0.00 39.34 38.95 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 -3.67 3.70 0.00 -0.72 -1.94 -0.20 -4.91 119.30 111.56 2cqe s MET 454 Ca 0.38 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 2cqe s MET 454 Cb -0.03 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2cqe s MET 454 CO 0.24 0.68 0.00 0.72 -0.01 0.00 0.00 175.02 176.66 2cqe n HIS 455 N 2.12 0.00 -0.04 -0.03 8.25 -1.26 -3.23 115.22 121.03 2cqe n HIS 455 Ca -0.17 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2cqe n HIS 455 Cb 0.54 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.71 -1.41 0.00 -1.95 -3.36 103.07 95.64 2cqe h GLY 456 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 2cqe h GLY 456 CO 0.00 0.00 -0.20 1.22 0.00 0.00 0.00 176.54 177.56 2cqe n ASP 457 N -4.15 -0.30 -4.56 0.19 8.00 -1.26 -3.28 116.55 111.19 2cqe n ASP 457 Ca -0.00 1.22 -0.60 0.00 0.71 0.00 0.00 54.79 56.12 2cqe n ASP 457 Cb 0.01 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 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 -5.13 0.95 -2.25 1.24 7.35 -1.26 -4.72 117.46 113.63 2cqe n PHE 458 Ca 0.10 1.03 -0.40 0.00 -0.76 0.00 0.00 57.45 57.42 2cqe n PHE 458 Cb 0.34 -2.14 -0.03 0.00 0.35 0.00 0.00 39.48 38.00 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 0.66 4.42 0.49 -7.13 0.04 -1.26 -3.56 135.00 128.65 2cqe s PRO 459 Ca 0.93 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.77 2cqe s PRO 459 Cb -1.28 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.12 2cqe s PRO 459 CO 0.61 -0.07 1.36 0.00 0.04 0.00 0.00 177.00 178.94 2cqe h LYS 461 N 1.87 -0.02 -0.53 0.00 3.64 -1.93 -3.33 116.57 116.27 2cqe h LYS 461 Ca -0.50 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 2cqe h LYS 461 Cb 1.29 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2cqe h LYS 461 CO 0.59 -0.01 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.20 2cqe h LEU 462 N -0.12 -1.68 -0.97 5.20 3.38 -1.93 0.68 115.31 119.88 2cqe h LEU 462 Ca -0.00 0.25 0.27 0.00 0.09 0.00 0.00 57.88 58.49 2cqe h LEU 462 Cb 0.01 0.73 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2cqe h LEU 462 CO 0.00 -0.36 1.19 0.22 0.09 0.00 0.00 178.44 179.59 2cqe h TYR 463 N -0.29 0.00 0.00 1.13 3.20 -1.75 0.87 116.97 120.14 2cqe h TYR 463 Ca 0.14 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.65 2cqe h TYR 463 Cb 0.57 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 2cqe h TYR 463 CO -0.73 0.00 -2.17 0.72 -1.64 0.00 0.00 178.16 174.34 2cqe n HIS 464 N -3.18 0.00 -0.22 -3.82 8.25 0.20 -1.50 115.22 114.95 2cqe n HIS 464 Ca 0.21 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.87 2cqe n HIS 464 Cb 1.47 -0.87 0.37 0.00 1.12 0.00 0.00 29.99 32.08 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 -4.29 -0.28 0.00 1.59 -2.24 0.82 -2.39 114.28 107.48 2cqe n THR 465 Ca -0.45 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.71 2cqe n THR 465 Cb 0.80 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 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 -4.58 0.00 0.00 4.28 -2.24 -0.98 -5.06 114.28 105.71 2cqe n THR 466 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2cqe n THR 466 Cb 0.81 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.92 3.45 3.65 3.38 0.00 -0.56 -5.08 105.19 111.95 2cqe n GLY 467 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.07 4.86 -0.18 1.61 3.84 -1.18 -4.50 114.94 119.32 2cqe s ASN 468 Ca 0.00 -0.21 -0.08 0.00 0.21 0.00 0.00 52.86 52.78 2cqe s ASN 468 Cb 0.00 -1.12 -0.04 0.00 -0.55 0.00 0.00 41.25 39.54 2cqe s ASN 468 CO 0.00 0.19 0.09 0.00 -2.79 0.00 0.00 177.10 174.59 2cqe h ILE 470 N 4.68 0.32 -0.56 0.00 6.09 -1.99 -3.29 117.51 122.75 2cqe h ILE 470 Ca -0.41 -1.30 0.11 0.00 -1.37 0.00 0.00 64.86 61.89 2cqe h ILE 470 Cb 1.17 2.03 -0.09 0.00 0.47 0.00 0.00 36.82 40.40 2cqe h ILE 470 CO 0.71 0.17 0.01 0.78 -3.07 0.00 0.00 178.15 176.74 2cqe h ASN 471 N 0.00 -0.23 -3.94 2.19 4.21 -1.99 -3.48 115.58 112.35 2cqe h ASN 471 Ca -0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 2cqe h ASN 471 Cb 1.02 0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2cqe h ASN 471 CO 0.02 -0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.69 2cqe n GLY 472 N -1.34 0.70 0.20 2.83 0.00 -1.24 -4.83 105.19 101.51 2cqe n GLY 472 Ca 0.07 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 2cqe n GLY 472 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cqe h ASP 473 N 0.00 0.39 -2.49 1.61 5.19 -1.93 -3.28 116.42 115.90 2cqe h ASP 473 Ca 0.00 -0.18 -0.79 0.00 -0.62 0.00 0.00 57.03 55.44 2cqe h ASP 473 Cb 0.00 -0.11 -0.29 0.00 0.18 0.00 0.00 39.33 39.11 2cqe h ASP 473 CO 0.00 0.79 0.78 0.47 -3.12 0.00 0.00 179.24 178.16 2cqe n ASP 474 N -3.99 6.71 -4.80 6.45 8.00 -1.26 -5.03 116.55 122.64 2cqe n ASP 474 Ca -0.02 -3.58 -0.33 0.00 0.71 0.00 0.00 54.79 51.57 2cqe n ASP 474 Cb 0.53 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqe h MET 476 N 0.70 0.00 -6.20 0.00 -0.00 -1.95 -3.45 114.93 104.02 2cqe h MET 476 Ca -0.48 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 58.73 2cqe h MET 476 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.79 2cqe h MET 476 CO 0.57 0.00 -0.48 -0.06 -0.00 0.00 0.00 176.91 176.95 2cqe s PHE 477 N -3.42 3.15 0.45 -0.10 0.08 -1.26 -4.85 117.98 112.04 2cqe s PHE 477 Ca 0.04 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 2cqe s PHE 477 Cb 0.07 -1.54 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 2cqe s PHE 477 CO 0.61 0.41 0.96 -1.12 -0.10 0.00 0.00 175.22 175.99 2cqe s SER 478 N -3.92 6.85 -0.27 1.36 0.01 -1.21 -4.84 113.70 111.68 2cqe s SER 478 Ca 0.35 1.66 0.09 0.00 1.31 0.00 0.00 55.95 59.36 2cqe s SER 478 Cb -0.08 -2.53 0.48 0.00 0.21 0.00 0.00 66.02 64.10 2cqe s SER 478 CO 0.26 -0.43 1.39 1.41 0.41 0.00 0.00 173.24 176.29 2cqe n HIS 479 N -0.91 0.81 -1.36 2.43 8.25 -1.26 -1.35 115.22 121.83 2cqe n HIS 479 Ca 0.07 -1.60 -0.32 0.00 -0.26 0.00 0.00 57.72 55.61 2cqe n HIS 479 Cb 0.54 -0.43 0.09 0.00 1.12 0.00 0.00 29.99 31.31 2cqe n HIS 479 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2cqe s ASP 480 N -2.77 4.46 0.13 0.41 -4.77 -1.26 -4.97 116.67 107.91 2cqe s ASP 480 Ca 0.43 1.98 -0.31 0.00 -3.30 0.00 0.00 52.55 51.35 2cqe s ASP 480 Cb 0.40 -2.54 -0.08 0.00 -1.09 0.00 0.00 42.92 39.61 2cqe s ASP 480 CO -0.02 -2.06 1.34 -2.16 0.70 0.00 0.00 175.17 172.97 2cqe s PRO 481 N -4.52 4.35 0.60 2.11 0.04 -1.26 -4.90 135.00 131.43 2cqe s PRO 481 Ca 0.65 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.54 2cqe s PRO 481 Cb -0.20 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2cqe s PRO 481 CO 0.51 -0.36 1.04 1.28 0.04 0.00 0.00 177.00 179.51 2cqe n LEU 482 N 3.57 4.19 -4.11 -3.56 4.77 -1.26 -5.03 117.00 115.57 2cqe n LEU 482 Ca 0.10 0.82 -0.11 0.00 -0.03 0.00 0.00 56.01 56.79 2cqe n LEU 482 Cb 0.43 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 39.98 2cqe n LEU 482 CO 0.58 -1.63 -0.39 0.42 -1.33 0.00 0.00 177.39 175.04 2cqe s THR 483 N -1.47 0.57 0.56 -5.08 -4.23 -1.26 -4.92 115.64 99.80 2cqe s THR 483 Ca 0.77 -1.49 0.49 0.00 -1.18 0.00 0.00 61.69 60.28 2cqe s THR 483 Cb -0.41 -1.12 0.72 0.00 1.34 0.00 0.00 72.50 73.03 2cqe s THR 483 CO 0.46 -0.64 1.54 -1.84 -0.54 0.00 0.00 174.62 173.60 2cqe n GLU 484 N 0.73 0.00 0.00 3.99 -0.00 -1.26 0.27 120.64 124.38 2cqe n GLU 484 Ca -0.18 1.07 0.00 0.00 -0.00 0.00 0.00 57.16 58.06 2cqe n GLU 484 Cb 0.58 -2.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.52 2cqe n GLU 484 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2cqe n GLU 485 N -3.87 0.00 -0.18 3.44 1.02 -1.26 -3.67 120.64 116.12 2cqe n GLU 485 Ca 0.43 0.26 -0.03 0.00 -0.02 0.00 0.00 57.16 57.80 2cqe n GLU 485 Cb 1.99 -0.78 0.04 0.00 -0.02 0.00 0.00 31.44 32.67 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2cqe h THR 486 N 0.00 0.40 -0.98 2.62 1.35 -1.76 -0.85 112.91 113.69 2cqe h THR 486 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 2cqe h THR 486 Cb 0.00 0.40 -0.19 0.00 -1.73 0.00 0.00 68.15 66.64 2cqe h THR 486 CO 0.00 0.00 -0.13 -0.09 -0.25 0.00 0.00 175.52 175.05 2cqe h ARG 487 N -0.04 0.00 -0.96 4.72 1.12 -0.38 1.05 114.38 119.91 2cqe h ARG 487 Ca 0.26 -0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.28 2cqe h ARG 487 Cb 0.43 -0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.30 2cqe h ARG 487 CO -0.58 0.00 0.57 1.49 -3.11 0.00 0.00 179.97 178.34 2cqe h GLU 488 N 0.00 0.77 0.30 0.20 4.22 -1.22 -2.48 114.58 116.37 2cqe h GLU 488 Ca 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.92 2cqe h GLU 488 Cb 0.93 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2cqe h GLU 488 CO -0.97 0.51 -0.46 -0.07 -2.18 0.00 0.00 179.01 175.84 2cqe h LEU 489 N 0.79 -1.31 -0.84 1.64 3.38 0.12 -2.78 115.31 116.30 2cqe h LEU 489 Ca 0.52 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.72 2cqe h LEU 489 Cb 0.71 0.46 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 2cqe h LEU 489 CO -0.34 -0.55 -0.46 -0.07 0.09 0.00 0.00 178.44 177.11 2cqe h LEU 490 N -0.80 -1.66 -1.00 1.67 3.38 -1.34 0.65 115.31 116.21 2cqe h LEU 490 Ca -0.03 0.29 0.37 0.00 0.09 0.00 0.00 57.88 58.60 2cqe h LEU 490 Cb 0.73 0.79 -0.17 0.00 0.09 0.00 0.00 40.66 42.10 2cqe h LEU 490 CO -0.14 -0.29 0.51 0.44 0.09 0.00 0.00 178.44 179.04 2cqe h ASP 491 N -0.08 0.33 0.00 -0.43 3.32 -1.36 0.49 116.42 118.68 2cqe h ASP 491 Ca 0.23 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.52 2cqe h ASP 491 Cb 0.53 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2cqe h ASP 491 CO -0.87 -0.31 -0.01 0.50 -1.72 0.00 0.00 179.24 176.83 2cqe h LYS 492 N 0.13 0.00 -0.09 3.56 1.63 0.30 -3.28 116.57 118.81 2cqe h LYS 492 Ca 0.78 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.61 2cqe h LYS 492 Cb 1.93 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.50 2cqe h LYS 492 CO -0.72 0.28 -0.51 1.98 -3.45 0.00 0.00 179.45 177.03 2cqe h MET 493 N -1.00 -0.56 -0.98 1.90 4.05 0.55 -0.78 114.93 118.12 2cqe h MET 493 Ca -0.00 0.04 0.30 0.00 -0.28 0.00 0.00 59.70 59.75 2cqe h MET 493 Cb 0.29 0.13 -0.18 0.00 -0.80 0.00 0.00 31.60 31.04 2cqe h MET 493 CO -0.00 -0.37 0.16 -0.07 0.23 0.00 0.00 176.91 176.86 2cqe h LEU 494 N -0.58 -0.26 -0.76 3.39 3.38 -0.26 1.04 115.31 121.26 2cqe h LEU 494 Ca 0.02 0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2cqe h LEU 494 Cb 0.66 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2cqe h LEU 494 CO -0.39 -0.35 0.27 0.00 0.09 0.00 0.00 178.44 178.06 2cqe h ALA 495 N 1.96 0.99 -0.91 1.53 0.00 -1.24 0.17 119.26 121.76 2cqe h ALA 495 Ca 0.64 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.52 2cqe h ALA 495 Cb 1.42 -0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2cqe h ALA 495 CO -0.86 0.65 0.49 0.22 0.00 0.00 0.00 179.25 179.76 2cqe h ASP 496 N 1.12 0.58 0.00 0.00 3.58 0.21 0.56 116.42 122.47 2cqe h ASP 496 Ca 0.25 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.74 2cqe h ASP 496 Cb 0.27 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2cqe h ASP 496 CO -0.01 0.19 -0.51 -0.78 -2.88 0.00 0.00 179.24 175.25 2cqe h ASP 497 N 0.62 0.00 -0.76 2.28 1.82 -1.19 -3.32 116.42 115.87 2cqe h ASP 497 Ca 0.53 -0.32 0.11 0.00 -0.39 0.00 0.00 57.03 56.96 2cqe h ASP 497 Cb 0.83 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.71 2cqe h ASP 497 CO -0.40 0.95 -0.43 0.00 -1.61 0.00 0.00 179.24 177.74 2cqe h ALA 498 N -0.68 -0.17 -0.48 -0.78 0.00 -0.53 0.96 119.26 117.58 2cqe h ALA 498 Ca -0.10 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2cqe h ALA 498 Cb 0.70 1.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 2cqe h ALA 498 CO -0.06 -0.76 -0.23 1.49 0.00 0.00 0.00 179.25 179.69 2cqe h GLU 499 N -0.12 -0.12 0.78 0.00 4.57 -1.08 -2.59 114.58 116.02 2cqe h GLU 499 Ca 0.23 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 2cqe h GLU 499 Cb 0.55 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2cqe h GLU 499 CO -0.81 -0.08 -0.47 0.00 -1.18 0.00 0.00 179.01 176.47 2cqe h ALA 500 N 1.18 -1.27 0.00 2.92 0.00 -1.04 -3.49 119.26 117.57 2cqe h ALA 500 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cqe h ALA 500 Cb 0.47 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2cqe h ALA 500 CO -0.56 -1.22 0.00 0.41 0.00 0.00 0.00 179.25 177.88 2cqe n GLY 501 N -1.61 0.79 2.65 0.00 0.00 0.11 -4.99 105.19 102.14 2cqe n GLY 501 Ca -0.14 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2cqe n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqe n ALA 502 N 0.00 0.21 -2.04 4.61 0.00 -1.26 -4.73 120.51 117.30 2cqe n ALA 502 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2cqe n ALA 502 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 2cqe n ALA 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cqe s GLU 503 N 6.42 2.62 -0.74 0.00 2.12 -1.26 -4.93 118.70 122.94 2cqe s GLU 503 Ca 1.02 0.55 -0.22 0.00 0.36 0.00 0.00 54.97 56.68 2cqe s GLU 503 Cb -1.01 -4.43 0.08 0.00 0.26 0.00 0.00 34.13 29.04 2cqe s GLU 503 CO 0.40 -2.77 1.03 0.34 -0.54 0.00 0.00 175.26 173.73 2cqe s ASP 504 N 8.07 6.28 0.28 -1.70 2.15 -1.26 -5.01 116.67 125.48 2cqe s ASP 504 Ca 0.67 -1.22 0.08 0.00 0.43 0.00 0.00 52.55 52.51 2cqe s ASP 504 Cb -0.12 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 2cqe s ASP 504 CO 0.19 -1.38 0.13 -0.70 -0.17 0.00 0.00 175.17 173.24 2cqe s GLU 505 N 3.87 2.60 -0.04 4.34 2.12 -1.26 -5.13 118.70 125.20 2cqe s GLU 505 Ca 0.26 -1.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.29 2cqe s GLU 505 Cb -0.13 -2.35 0.03 0.00 0.26 0.00 0.00 34.13 31.94 2cqe s GLU 505 CO 0.05 0.31 0.06 0.21 -0.54 0.00 0.00 175.26 175.35 2cqe s LYS 506 N -3.80 -0.04 0.38 4.30 2.20 -1.26 -5.15 119.74 116.37 2cqe s LYS 506 Ca 0.34 0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 56.07 2cqe s LYS 506 Cb -0.06 -0.36 -0.10 0.00 -1.51 0.00 0.00 37.83 35.80 2cqe s LYS 506 CO 0.23 -0.25 0.87 -2.00 -0.36 0.00 0.00 175.35 173.84 2cqe s GLU 507 N 1.64 4.17 -0.18 4.03 2.56 -1.26 -5.06 118.70 124.60 2cqe s GLU 507 Ca -0.02 0.96 -0.02 0.00 0.00 0.00 0.00 54.97 55.89 2cqe s GLU 507 Cb -0.12 -2.33 -0.01 0.00 2.00 0.00 0.00 34.13 33.67 2cqe s GLU 507 CO -0.03 0.07 -0.08 0.54 -0.56 0.00 0.00 175.26 175.19 2cqe s VAL 508 N -2.05 3.24 -0.00 3.70 0.11 -1.26 -5.11 120.40 119.02 2cqe s VAL 508 Ca 0.58 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2cqe s VAL 508 Cb -0.10 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2cqe s VAL 508 CO 0.15 0.47 -0.10 -1.83 -3.33 0.00 0.00 175.10 170.47 2cqe s GLU 509 N 1.00 2.48 0.93 1.54 4.04 -1.26 -5.10 118.70 122.32 2cqe s GLU 509 Ca -0.01 -0.75 -0.13 0.00 0.04 0.00 0.00 54.97 54.12 2cqe s GLU 509 Cb -0.15 -2.44 0.02 0.00 0.02 0.00 0.00 34.13 31.59 2cqe s GLU 509 CO -0.00 0.60 0.38 0.39 -1.84 0.00 0.00 175.26 174.78 2cqe n GLU 510 N 1.73 -0.22 0.00 -4.83 4.71 -1.26 -4.96 120.64 115.81 2cqe n GLU 510 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2cqe n GLU 510 Cb 0.52 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 2cqe n GLU 510 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2cqe n LEU 511 N -1.05 0.45 -2.38 -4.62 -0.00 -1.26 -4.84 117.00 103.31 2cqe n LEU 511 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.73 2cqe n LEU 511 Cb 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.02 2cqe n LEU 511 CO 0.51 0.08 1.39 1.17 -0.00 0.00 0.00 177.39 180.54 2cqe n LYS 512 N -1.40 2.75 -2.60 1.47 4.81 -1.26 -4.93 118.16 117.01 2cqe n LYS 512 Ca 0.00 -3.37 -0.41 0.00 -0.87 0.00 0.00 58.31 53.66 2cqe n LYS 512 Cb 0.13 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 32.86 2cqe n LYS 512 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2cqe s LYS 513 N -3.84 3.37 0.26 1.64 2.47 -1.26 -4.97 119.74 117.40 2cqe s LYS 513 Ca 0.63 -0.72 0.05 0.00 -1.56 0.00 0.00 55.97 54.37 2cqe s LYS 513 Cb 0.50 -4.70 -0.06 0.00 -1.46 0.00 0.00 37.83 32.11 2cqe s LYS 513 CO -0.06 -2.13 -0.03 0.45 0.16 0.00 0.00 175.35 173.74 2cqe s SER 514 N 4.23 2.39 0.01 1.43 0.15 -1.26 -5.16 113.70 115.48 2cqe s SER 514 Ca 0.38 -1.21 0.02 0.00 0.70 0.00 0.00 55.95 55.84 2cqe s SER 514 Cb -0.05 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2cqe s SER 514 CO 0.03 -0.42 -0.06 -0.83 1.20 0.00 0.00 173.24 173.15 2cqe s GLY 515 N -3.39 0.36 0.70 9.45 0.00 -1.26 -5.16 107.32 108.02 2cqe s GLY 515 Ca 0.29 -0.42 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 2cqe s GLY 515 CO 0.11 -0.40 0.62 -1.55 0.00 0.00 0.00 173.10 171.88 2cqe n PRO 516 N 2.46 -2.24 -3.87 2.90 -0.04 -1.26 -5.10 135.00 127.85 2cqe n PRO 516 Ca -0.16 -0.99 -0.10 0.00 -0.04 0.00 0.00 63.50 62.20 2cqe n PRO 516 Cb 0.57 -0.93 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 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 -3.18 0.07 0.03 3.54 0.01 -1.26 -5.17 113.70 107.73 2cqe s SER 517 Ca 0.40 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 2cqe s SER 517 Cb -0.04 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.51 2cqe s SER 517 CO 0.31 -0.52 0.59 -0.44 0.41 0.00 0.00 173.24 173.59 2cqe s SER 518 N -1.98 -0.54 0.00 2.44 0.01 -1.26 -5.39 113.70 106.98 2cqe s SER 518 Ca -0.07 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2cqe s SER 518 Cb -0.02 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2cqe s SER 518 CO -0.03 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.51