#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 6.79 0.07 1.61 0.15 -1.26 -5.07 113.70 115.99 2cqe s SER 423 Ca 0.00 0.94 0.06 0.00 0.70 0.00 0.00 55.95 57.66 2cqe s SER 423 Cb 0.00 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2cqe s SER 423 CO 0.00 -0.01 -0.17 -0.55 1.20 0.00 0.00 173.24 173.71 2cqe s SER 424 N 0.57 2.00 0.03 5.45 0.15 -1.26 -5.16 113.70 115.49 2cqe s SER 424 Ca 0.29 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 56.28 2cqe s SER 424 Cb -0.16 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2cqe s SER 424 CO 0.13 0.01 0.12 -0.83 1.20 0.00 0.00 173.24 173.86 2cqe s GLY 425 N -1.62 0.13 0.16 9.45 0.00 -1.26 -5.17 107.32 109.01 2cqe s GLY 425 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 2cqe s GLY 425 CO 0.03 -0.57 0.35 -0.45 0.00 0.00 0.00 173.10 172.45 2cqe s SER 426 N -1.96 -0.05 0.11 1.64 0.15 -1.26 -5.18 113.70 107.15 2cqe s SER 426 Ca -0.07 -0.69 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 2cqe s SER 426 Cb -0.03 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2cqe s SER 426 CO -0.03 -0.91 0.24 -0.44 1.20 0.00 0.00 173.24 173.30 2cqe s SER 427 N -2.91 0.06 0.00 5.45 0.01 -1.26 -5.16 113.70 109.89 2cqe s SER 427 Ca 0.12 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2cqe s SER 427 Cb 0.02 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2cqe s SER 427 CO -0.03 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.44 2cqe n GLY 428 N -0.12 3.66 3.56 3.44 0.00 -1.26 -5.01 105.19 109.46 2cqe n GLY 428 Ca -0.13 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.70 2.89 0.42 1.61 0.41 -1.26 -4.97 118.70 115.10 2cqe s GLU 429 Ca 0.00 0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 55.01 2cqe s GLU 429 Cb 0.00 -4.30 -0.08 0.00 -1.78 0.00 0.00 34.13 27.97 2cqe s GLU 429 CO 0.00 -2.42 1.25 -0.48 -0.49 0.00 0.00 175.26 173.12 2cqe s LEU 430 N 8.05 4.17 0.00 1.80 -0.00 -1.26 -5.02 118.68 126.42 2cqe s LEU 430 Ca 0.66 2.53 0.00 0.00 -0.00 0.00 0.00 54.13 57.32 2cqe s LEU 430 Cb -0.14 -3.99 0.00 0.00 -0.00 0.00 0.00 46.19 42.06 2cqe s LEU 430 CO 0.24 -0.84 0.00 -0.81 -0.00 0.00 0.00 176.35 174.93 2cqe n PRO 431 N -0.01 0.00 -1.89 1.48 -0.04 -1.26 -4.80 135.00 128.49 2cqe n PRO 431 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 2cqe n PRO 431 Cb 0.45 -0.20 -0.03 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.00 4.19 -0.06 0.54 -0.14 -1.26 -4.87 119.74 118.14 2cqe s LYS 432 Ca 0.00 2.42 0.12 0.00 -1.36 0.00 0.00 55.97 57.15 2cqe s LYS 432 Cb 0.00 -3.13 0.45 0.00 -1.68 0.00 0.00 37.83 33.47 2cqe s LYS 432 CO 0.00 -0.64 1.31 1.63 -0.76 0.00 0.00 175.35 176.89 2cqe n LYS 433 N 3.90 2.66 -4.15 1.68 5.02 -0.36 -4.92 118.16 121.98 2cqe n LYS 433 Ca 0.14 -1.78 -0.29 0.00 -2.02 0.00 0.00 58.31 54.37 2cqe n LYS 433 Cb 0.38 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 2cqe n LYS 433 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cqe n ARG 434 N 0.64 -0.92 -4.01 1.97 5.12 -1.26 -4.92 116.66 113.27 2cqe n ARG 434 Ca 0.16 0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2cqe n ARG 434 Cb 0.58 -3.21 -0.13 0.00 -1.16 0.00 0.00 32.46 28.55 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2cqe s GLU 435 N -6.99 0.31 -0.33 5.56 2.12 -1.26 -4.97 118.70 113.14 2cqe s GLU 435 Ca 0.02 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.67 2cqe s GLU 435 Cb -0.01 -0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.24 2cqe s GLU 435 CO 0.91 0.03 1.49 -1.17 -0.54 0.00 0.00 175.26 175.97 2cqe s LEU 436 N -0.80 3.71 0.28 2.70 2.96 -1.26 -0.71 118.68 125.56 2cqe s LEU 436 Ca -0.06 1.16 -0.26 0.00 -0.22 0.00 0.00 54.13 54.75 2cqe s LEU 436 Cb -0.06 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 2cqe s LEU 436 CO -0.00 -1.35 0.58 0.00 -1.32 0.00 0.00 176.35 174.26 2cqe n LYS 438 N 0.91 0.43 -0.05 0.00 2.85 -1.26 -3.84 118.16 117.21 2cqe n LYS 438 Ca 0.14 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.30 2cqe n LYS 438 Cb 0.31 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.15 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2cqe n PHE 439 N -1.28 0.00 -0.01 5.58 3.01 -1.26 -4.56 117.46 118.94 2cqe n PHE 439 Ca 0.14 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.80 2cqe n PHE 439 Cb 0.24 -0.39 0.38 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.49 0.00 -0.99 1.38 3.20 -1.74 0.31 116.97 118.64 2cqe h TYR 440 Ca -0.21 0.00 0.20 0.00 3.14 0.00 0.00 58.73 61.86 2cqe h TYR 440 Cb 0.98 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.14 2cqe h TYR 440 CO -0.11 0.00 0.59 0.82 -1.64 0.00 0.00 178.16 177.82 2cqe h ILE 441 N 0.00 0.66 -0.47 1.81 2.04 -1.80 0.34 117.51 120.08 2cqe h ILE 441 Ca 0.31 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2cqe h ILE 441 Cb 2.37 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2cqe h ILE 441 CO -0.00 0.13 0.00 0.35 0.00 0.00 0.00 178.15 178.63 2cqe n THR 442 N -4.81 0.61 -0.04 -0.27 -2.24 0.11 -4.93 114.28 102.72 2cqe n THR 442 Ca 0.24 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2cqe n THR 442 Cb 0.61 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.55 2.90 3.33 3.38 0.00 0.12 -4.96 105.19 111.50 2cqe n GLY 443 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.03 3.24 -0.09 1.61 2.19 -1.25 -4.90 117.98 115.76 2cqe s PHE 444 Ca 0.00 -1.22 0.00 0.00 0.33 0.00 0.00 56.93 56.04 2cqe s PHE 444 Cb 0.00 -3.70 0.02 0.00 -1.31 0.00 0.00 43.02 38.03 2cqe s PHE 444 CO 0.00 -0.99 -0.06 0.00 1.83 0.00 0.00 175.22 176.00 2cqe h ALA 446 N 7.88 -1.02 -1.98 0.00 0.00 -1.98 -3.37 119.26 118.78 2cqe h ALA 446 Ca -0.29 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 53.83 2cqe h ALA 446 Cb 1.14 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 19.51 2cqe h ALA 446 CO 0.39 -1.12 0.38 1.03 0.00 0.00 0.00 179.25 179.93 2cqe s ARG 447 N -5.89 3.34 0.00 0.00 0.52 -1.26 -4.95 118.95 110.71 2cqe s ARG 447 Ca -0.17 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 2cqe s ARG 447 Cb 0.05 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.52 2cqe s ARG 447 CO 0.61 -1.25 0.00 0.00 0.02 0.00 0.00 175.30 174.68 2cqe n ALA 448 N 6.88 0.00 0.73 2.13 0.00 -1.26 -3.44 120.51 125.55 2cqe n ALA 448 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2cqe n ALA 448 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 2cqe n ALA 448 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cqe n GLU 449 N -0.98 1.32 0.00 0.00 2.13 -1.26 -2.93 120.64 118.92 2cqe n GLU 449 Ca 0.00 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.42 2cqe n GLU 449 Cb 0.00 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.35 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2cqe n ASN 450 N 0.19 0.39 -4.61 4.31 3.02 -1.26 -5.03 115.26 112.26 2cqe n ASN 450 Ca 0.06 -1.03 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 2cqe n ASN 450 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cqe n PRO 452 N 7.65 0.49 -2.27 0.00 -0.04 -1.26 -4.74 135.00 134.82 2cqe n PRO 452 Ca 0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 2cqe n PRO 452 Cb 0.48 -1.24 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.74 -2.55 -3.55 0.54 4.02 -1.26 -1.22 117.16 112.39 2cqe n TYR 453 Ca 0.06 -1.37 -0.37 0.00 -0.01 0.00 0.00 57.90 56.21 2cqe n TYR 453 Cb 0.03 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 38.92 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 -3.71 4.04 0.00 -0.72 -1.94 0.11 -4.89 119.30 112.20 2cqe s MET 454 Ca 0.40 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 2cqe s MET 454 Cb -0.03 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.48 2cqe s MET 454 CO 0.25 0.45 0.00 0.72 -0.01 0.00 0.00 175.02 176.43 2cqe n HIS 455 N 2.80 0.00 -0.04 -0.03 8.25 -1.26 -3.39 115.22 121.55 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 -0.74 -1.41 0.00 -1.94 -3.36 103.07 95.62 2cqe h GLY 456 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 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 -4.18 -0.30 -4.65 0.19 8.00 -1.26 -2.97 116.55 111.38 2cqe n ASP 457 Ca -0.00 1.27 -0.64 0.00 0.71 0.00 0.00 54.79 56.13 2cqe n ASP 457 Cb 0.01 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 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 -5.18 1.32 -2.11 1.24 7.35 -1.26 -4.66 117.46 114.17 2cqe n PHE 458 Ca 0.11 1.11 -0.34 0.00 -0.76 0.00 0.00 57.45 57.56 2cqe n PHE 458 Cb 0.36 -2.18 0.02 0.00 0.35 0.00 0.00 39.48 38.02 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 1.82 3.19 0.41 -7.13 0.04 -1.26 -2.79 135.00 129.27 2cqe s PRO 459 Ca 0.99 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 2cqe s PRO 459 Cb -1.40 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2cqe s PRO 459 CO 0.72 -0.97 1.08 0.00 0.04 0.00 0.00 177.00 177.87 2cqe h LYS 461 N 2.42 -0.02 -0.58 0.00 3.64 -1.95 -3.33 116.57 116.76 2cqe h LYS 461 Ca -0.48 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2cqe h LYS 461 Cb 1.22 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 2cqe h LYS 461 CO 0.62 -0.01 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.16 2cqe h LEU 462 N -0.20 -1.92 -1.02 5.20 3.38 -1.95 0.76 115.31 119.56 2cqe h LEU 462 Ca -0.00 0.27 0.29 0.00 0.09 0.00 0.00 57.88 58.53 2cqe h LEU 462 Cb 0.01 0.81 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2cqe h LEU 462 CO 0.00 -0.35 1.20 0.00 0.09 0.00 0.00 178.44 179.38 2cqe n TYR 463 N -5.35 0.00 -0.12 1.13 9.36 -1.09 -0.46 117.16 120.63 2cqe n TYR 463 Ca -0.02 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.97 2cqe n TYR 463 Cb 0.32 -0.25 -0.08 0.00 -0.63 0.00 0.00 39.34 38.70 2cqe n TYR 463 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2cqe n HIS 464 N -3.20 0.09 -0.36 2.98 8.25 0.23 -1.24 115.22 121.98 2cqe n HIS 464 Ca 0.23 0.04 0.30 0.00 -0.26 0.00 0.00 57.72 58.03 2cqe n HIS 464 Cb 1.50 -0.87 0.51 0.00 1.12 0.00 0.00 29.99 32.25 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 -4.33 -0.18 0.00 1.59 -2.24 0.90 -2.81 114.28 107.21 2cqe n THR 465 Ca -0.41 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.70 2cqe n THR 465 Cb 0.76 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 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 -4.15 0.00 0.00 4.28 -2.24 -0.94 -5.07 114.28 106.16 2cqe n THR 466 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2cqe n THR 466 Cb 1.18 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.98 4.65 3.86 3.38 0.00 -0.37 -5.07 105.19 113.62 2cqe n GLY 467 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2cqe n GLY 467 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqe s ASN 468 N 0.00 5.29 0.13 1.61 4.22 -1.18 -4.49 114.94 120.51 2cqe s ASN 468 Ca 0.00 -0.51 0.10 0.00 -2.14 0.00 0.00 52.86 50.31 2cqe s ASN 468 Cb 0.00 -0.93 -0.04 0.00 1.28 0.00 0.00 41.25 41.56 2cqe s ASN 468 CO 0.00 -0.40 -0.22 0.00 -2.04 0.00 0.00 177.10 174.44 2cqe h ILE 470 N 3.67 1.50 0.14 0.00 6.09 -2.00 -3.36 117.51 123.54 2cqe h ILE 470 Ca -0.50 -3.05 -0.00 0.00 -1.37 0.00 0.00 64.86 59.94 2cqe h ILE 470 Cb 1.17 2.92 -0.01 0.00 0.47 0.00 0.00 36.82 41.37 2cqe h ILE 470 CO 0.43 0.89 -0.20 0.78 -3.07 0.00 0.00 178.15 176.98 2cqe h ASN 471 N 0.08 -0.57 -4.21 2.19 4.21 -1.97 -3.49 115.58 111.82 2cqe h ASN 471 Ca -0.13 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2cqe h ASN 471 Cb 1.95 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 39.35 2cqe h ASN 471 CO 0.20 -0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.71 2cqe n GLY 472 N -1.21 0.85 0.38 2.83 0.00 -1.26 -4.84 105.19 101.95 2cqe n GLY 472 Ca -0.04 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 0.46 -2.25 1.61 3.04 -1.95 -2.51 116.42 114.83 2cqe h ASP 473 Ca 0.00 0.03 -0.81 0.00 -3.24 0.00 0.00 57.03 53.01 2cqe h ASP 473 Cb 0.00 -0.07 -0.27 0.00 -1.04 0.00 0.00 39.33 37.95 2cqe h ASP 473 CO 0.00 0.24 1.02 0.47 -2.04 0.00 0.00 179.24 178.93 2cqe n ASP 474 N -4.50 7.34 -4.83 4.15 9.92 -1.26 -5.02 116.55 122.36 2cqe n ASP 474 Ca 0.15 -3.69 -0.33 0.00 -0.53 0.00 0.00 54.79 50.39 2cqe n ASP 474 Cb 0.51 -1.16 -0.05 0.00 -0.64 0.00 0.00 41.12 39.78 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cqe h MET 476 N 1.31 0.00 -6.19 0.00 -0.00 -1.95 -3.44 114.93 104.66 2cqe h MET 476 Ca -0.48 0.00 -0.51 0.00 -0.00 0.00 0.00 59.70 58.71 2cqe h MET 476 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.74 2cqe h MET 476 CO 0.61 0.08 -0.53 -0.06 -0.00 0.00 0.00 176.91 177.01 2cqe s PHE 477 N -3.79 3.13 0.25 -0.10 0.08 -1.26 -4.82 117.98 111.47 2cqe s PHE 477 Ca -0.00 -0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 2cqe s PHE 477 Cb 0.10 -1.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.04 2cqe s PHE 477 CO 0.56 0.52 0.96 -1.12 -0.10 0.00 0.00 175.22 176.04 2cqe s SER 478 N -3.76 7.56 -0.30 1.36 0.01 -1.12 -4.81 113.70 112.64 2cqe s SER 478 Ca 0.33 1.99 0.11 0.00 1.31 0.00 0.00 55.95 59.69 2cqe s SER 478 Cb -0.08 -2.61 0.67 0.00 0.21 0.00 0.00 66.02 64.21 2cqe s SER 478 CO 0.25 0.09 1.69 1.41 0.41 0.00 0.00 173.24 177.09 2cqe n HIS 479 N 1.36 1.99 -1.31 2.43 8.25 -1.26 -0.91 115.22 125.78 2cqe n HIS 479 Ca -0.02 -1.22 -0.34 0.00 -0.26 0.00 0.00 57.72 55.89 2cqe n HIS 479 Cb 0.47 -0.60 0.11 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.44 3.94 -0.09 0.41 1.47 -1.26 -4.92 116.67 114.79 2cqe s ASP 480 Ca 0.51 2.39 -0.30 0.00 1.18 0.00 0.00 52.55 56.34 2cqe s ASP 480 Cb 0.42 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 40.37 2cqe s ASP 480 CO 0.11 -2.44 1.52 -2.16 0.68 0.00 0.00 175.17 172.88 2cqe s PRO 481 N -3.97 4.20 0.30 2.11 0.04 -1.26 -4.88 135.00 131.54 2cqe s PRO 481 Ca 0.75 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 63.55 2cqe s PRO 481 Cb -0.30 -3.91 -0.16 0.00 0.04 0.00 0.00 34.50 30.17 2cqe s PRO 481 CO 0.47 -0.80 0.31 1.28 0.04 0.00 0.00 177.00 178.31 2cqe n LEU 482 N 6.93 -2.00 -4.28 -3.56 4.77 -1.26 -4.98 117.00 112.62 2cqe n LEU 482 Ca 0.16 0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 56.91 2cqe n LEU 482 Cb 0.43 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.49 2cqe n LEU 482 CO 0.60 -3.56 -0.48 0.42 -1.33 0.00 0.00 177.39 173.04 2cqe s THR 483 N -1.33 1.60 0.54 -5.08 -4.23 -1.26 -4.92 115.64 100.96 2cqe s THR 483 Ca 0.62 -1.72 0.48 0.00 -1.18 0.00 0.00 61.69 59.89 2cqe s THR 483 Cb -0.78 -1.63 0.71 0.00 1.34 0.00 0.00 72.50 72.14 2cqe s THR 483 CO 0.59 -0.27 1.58 1.05 -0.54 0.00 0.00 174.62 177.03 2cqe h GLU 484 N 3.61 0.00 0.00 3.99 4.11 -1.99 0.37 114.58 124.67 2cqe h GLU 484 Ca -0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2cqe h GLU 484 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2cqe h GLU 484 CO 0.47 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.64 2cqe n GLU 485 N -4.04 0.00 -0.27 1.06 4.07 -1.26 -3.99 120.64 116.20 2cqe n GLU 485 Ca 0.44 0.31 0.06 0.00 -0.06 0.00 0.00 57.16 57.91 2cqe n GLU 485 Cb 1.96 -0.81 0.16 0.00 -0.06 0.00 0.00 31.44 32.69 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2cqe h THR 486 N 0.00 0.26 -0.98 6.31 1.35 -1.78 0.19 112.91 118.26 2cqe h THR 486 Ca 0.00 -0.02 0.36 0.00 -0.55 0.00 0.00 66.41 66.20 2cqe h THR 486 Cb 0.00 0.19 -0.18 0.00 -1.73 0.00 0.00 68.15 66.43 2cqe h THR 486 CO 0.00 0.01 0.35 -1.14 -0.25 0.00 0.00 175.52 174.50 2cqe n ARG 487 N -5.41 -0.07 -0.20 4.72 0.00 0.12 0.15 116.66 115.98 2cqe n ARG 487 Ca 0.14 1.40 -0.07 0.00 -0.00 0.00 0.00 57.85 59.32 2cqe n ARG 487 Cb 0.50 -2.41 0.03 0.00 0.00 0.00 0.00 32.46 30.58 2cqe n ARG 487 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2cqe h GLU 488 N 0.00 0.80 -0.28 -0.14 4.39 -0.75 -3.17 114.58 115.43 2cqe h GLU 488 Ca 0.75 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 60.40 2cqe h GLU 488 Cb 1.87 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 30.31 2cqe h GLU 488 CO -0.82 0.60 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.24 2cqe h LEU 489 N 0.78 -1.07 -0.99 1.33 3.38 0.13 -1.79 115.31 117.07 2cqe h LEU 489 Ca 0.20 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.44 2cqe h LEU 489 Cb 0.02 0.44 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 2cqe h LEU 489 CO -0.04 -0.21 -0.49 0.18 0.09 0.00 0.00 178.44 177.97 2cqe n LEU 490 N -4.21 -0.86 -0.33 1.67 4.77 -1.18 0.67 117.00 117.52 2cqe n LEU 490 Ca -0.02 1.75 0.22 0.00 -0.03 0.00 0.00 56.01 57.94 2cqe n LEU 490 Cb 0.18 -0.31 0.42 0.00 -2.33 0.00 0.00 43.42 41.39 2cqe n LEU 490 CO -0.01 -1.49 0.92 0.44 -1.33 0.00 0.00 177.39 175.92 2cqe h ASP 491 N 0.00 -0.11 0.01 -1.43 5.19 -1.35 0.71 116.42 119.44 2cqe h ASP 491 Ca 0.25 0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2cqe h ASP 491 Cb 0.49 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2cqe h ASP 491 CO -0.96 -0.38 -0.00 0.50 -3.12 0.00 0.00 179.24 175.27 2cqe h LYS 492 N 0.02 -0.01 0.26 3.56 1.63 0.48 -3.15 116.57 119.35 2cqe h LYS 492 Ca 0.71 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.51 2cqe h LYS 492 Cb 1.67 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.28 2cqe h LYS 492 CO -0.85 0.76 -0.35 1.98 -3.45 0.00 0.00 179.45 177.54 2cqe h MET 493 N -0.96 -0.60 -0.86 1.90 4.05 0.14 0.37 114.93 118.96 2cqe h MET 493 Ca -0.00 0.04 0.22 0.00 -0.28 0.00 0.00 59.70 59.68 2cqe h MET 493 Cb 0.78 0.14 -0.15 0.00 -0.80 0.00 0.00 31.60 31.57 2cqe h MET 493 CO 0.00 -0.40 0.08 -0.07 0.23 0.00 0.00 176.91 176.75 2cqe h LEU 494 N -0.63 -0.28 -0.55 3.39 3.38 0.14 0.37 115.31 121.14 2cqe h LEU 494 Ca -0.03 0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2cqe h LEU 494 Cb 0.57 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2cqe h LEU 494 CO -0.09 -0.22 0.01 0.00 0.09 0.00 0.00 178.44 178.23 2cqe h ALA 495 N 1.81 0.74 -0.65 1.53 0.00 -1.40 -1.90 119.26 119.40 2cqe h ALA 495 Ca 0.51 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2cqe h ALA 495 Cb 1.00 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2cqe h ALA 495 CO -0.74 0.55 0.28 0.22 0.00 0.00 0.00 179.25 179.56 2cqe h ASP 496 N 0.84 0.33 0.33 0.00 3.58 0.39 0.11 116.42 122.00 2cqe h ASP 496 Ca 0.16 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2cqe h ASP 496 Cb 0.52 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2cqe h ASP 496 CO 0.03 0.19 -0.16 0.44 -2.88 0.00 0.00 179.24 176.86 2cqe h ASP 497 N 0.49 -0.37 -0.68 2.28 5.19 -1.15 -2.39 116.42 119.78 2cqe h ASP 497 Ca 0.33 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.85 2cqe h ASP 497 Cb 0.38 0.10 -0.12 0.00 0.18 0.00 0.00 39.33 39.86 2cqe h ASP 497 CO -0.29 -0.11 -0.41 0.00 -3.12 0.00 0.00 179.24 175.31 2cqe h ALA 498 N -1.48 -0.19 -0.68 3.45 0.00 -1.28 0.14 119.26 119.23 2cqe h ALA 498 Ca -0.05 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2cqe h ALA 498 Cb 0.34 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2cqe h ALA 498 CO 0.07 -0.76 0.29 1.49 0.00 0.00 0.00 179.25 180.34 2cqe h GLU 499 N -0.16 0.47 -2.01 0.00 4.81 -0.89 -1.91 114.58 114.89 2cqe h GLU 499 Ca 0.22 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2cqe h GLU 499 Cb 0.56 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2cqe h GLU 499 CO -0.76 0.31 -0.24 0.00 -0.73 0.00 0.00 179.01 177.59 2cqe n ALA 500 N -2.46 5.48 0.00 2.92 0.00 0.48 -4.86 120.51 122.07 2cqe n ALA 500 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2cqe n ALA 500 Cb 0.31 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 2.14 0.59 3.15 0.00 0.00 -0.72 -4.95 105.19 105.41 2cqe n GLY 501 Ca 0.27 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.71 -2.63 0.05 4.61 0.00 -1.25 -3.98 121.76 115.84 2cqe s ALA 502 Ca 0.00 1.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 2cqe s ALA 502 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2cqe s ALA 502 CO 0.00 -1.39 0.12 -1.21 0.00 0.00 0.00 175.76 173.28 2cqe s GLU 503 N 2.89 0.64 0.19 0.00 8.01 -1.26 -5.15 118.70 124.02 2cqe s GLU 503 Ca 0.14 -0.79 -0.20 0.00 0.01 0.00 0.00 54.97 54.13 2cqe s GLU 503 Cb -0.13 0.25 0.04 0.00 -4.31 0.00 0.00 34.13 29.99 2cqe s GLU 503 CO -0.18 -0.17 0.57 0.34 0.01 0.00 0.00 175.26 175.83 2cqe s ASP 504 N -2.28 -0.38 -0.16 -0.19 2.15 -1.26 -5.18 116.67 109.37 2cqe s ASP 504 Ca -0.03 -0.29 -0.33 0.00 0.43 0.00 0.00 52.55 52.33 2cqe s ASP 504 Cb 0.00 0.60 0.13 0.00 -0.30 0.00 0.00 42.92 43.36 2cqe s ASP 504 CO -0.06 -1.05 1.14 -0.70 -0.17 0.00 0.00 175.17 174.34 2cqe s GLU 505 N -3.82 0.41 0.32 4.34 2.56 -1.26 -5.19 118.70 116.06 2cqe s GLU 505 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.97 54.83 2cqe s GLU 505 Cb -0.02 0.19 0.01 0.00 2.00 0.00 0.00 34.13 36.31 2cqe s GLU 505 CO -0.06 -0.17 0.52 0.15 -0.56 0.00 0.00 175.26 175.13 2cqe s LYS 506 N -2.39 1.85 -0.20 4.30 1.02 -1.26 -5.18 119.74 117.89 2cqe s LYS 506 Ca 0.08 -1.58 -0.27 0.00 0.02 0.00 0.00 55.97 54.22 2cqe s LYS 506 Cb -0.01 0.47 0.09 0.00 -0.52 0.00 0.00 37.83 37.87 2cqe s LYS 506 CO -0.05 -0.78 0.83 -2.00 -0.92 0.00 0.00 175.35 172.43 2cqe s GLU 507 N -3.21 0.77 -0.29 1.68 -6.30 -1.26 -5.14 118.70 104.95 2cqe s GLU 507 Ca 0.26 0.56 0.01 0.00 -2.50 0.00 0.00 54.97 53.31 2cqe s GLU 507 Cb -0.01 0.37 0.09 0.00 0.00 0.00 0.00 34.13 34.58 2cqe s GLU 507 CO 0.16 -0.17 0.03 0.08 0.02 0.00 0.00 175.26 175.38 2cqe s VAL 508 N -0.33 1.60 1.12 3.70 1.01 -1.26 -5.12 120.40 121.12 2cqe s VAL 508 Ca -0.02 -1.67 -0.17 0.00 0.00 0.00 0.00 61.98 60.11 2cqe s VAL 508 Cb -0.03 -2.08 0.18 0.00 0.00 0.00 0.00 36.38 34.46 2cqe s VAL 508 CO 0.02 -0.45 0.29 -0.62 0.00 0.00 0.00 175.10 174.34 2cqe n GLU 509 N 4.57 -2.40 -0.94 2.72 4.71 -1.26 -4.94 120.64 123.10 2cqe n GLU 509 Ca -0.03 -0.70 -0.29 0.00 -0.01 0.00 0.00 57.16 56.12 2cqe n GLU 509 Cb 0.43 -1.64 0.18 0.00 -1.01 0.00 0.00 31.44 29.39 2cqe n GLU 509 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2cqe s GLU 510 N -3.70 0.49 -0.11 3.49 2.02 -1.26 -5.06 118.70 114.56 2cqe s GLU 510 Ca 0.49 0.88 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 2cqe s GLU 510 Cb -0.10 -1.71 0.05 0.00 0.10 0.00 0.00 34.13 32.47 2cqe s GLU 510 CO 0.50 -2.79 0.24 -0.48 0.02 0.00 0.00 175.26 172.76 2cqe s LEU 511 N -6.59 0.38 -1.39 1.80 0.05 -1.26 -4.88 118.68 106.79 2cqe s LEU 511 Ca 0.66 0.52 -0.10 0.00 0.05 0.00 0.00 54.13 55.26 2cqe s LEU 511 Cb -0.21 0.72 0.07 0.00 -2.05 0.00 0.00 46.19 44.73 2cqe s LEU 511 CO 0.59 -0.17 0.61 1.17 -0.55 0.00 0.00 176.35 178.00 2cqe n LYS 512 N 4.30 -3.95 -1.04 1.48 3.00 -1.26 -4.84 118.16 115.84 2cqe n LYS 512 Ca -0.24 0.55 -0.34 0.00 -0.00 0.00 0.00 58.31 58.27 2cqe n LYS 512 Cb 0.53 -5.31 0.02 0.00 0.00 0.00 0.00 35.03 30.27 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2cqe n LYS 513 N -3.98 0.00 -0.85 1.64 4.81 -1.26 -4.82 118.16 113.70 2cqe n LYS 513 Ca -0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 2cqe n LYS 513 Cb 0.55 -0.91 0.10 0.00 0.02 0.00 0.00 35.03 34.79 2cqe n LYS 513 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2cqe n SER 514 N 2.64 -3.14 0.00 3.14 2.88 -1.26 -5.00 113.62 112.88 2cqe n SER 514 Ca 0.04 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2cqe n SER 514 Cb 0.46 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2cqe n SER 514 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqe n GLY 515 N 2.63 -1.93 1.77 0.46 0.00 -1.26 -5.18 105.19 101.68 2cqe n GLY 515 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 2cqe n GLY 515 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqe n PRO 516 N 0.00 -2.11 -3.78 1.61 -0.04 -1.26 -5.10 135.00 124.32 2cqe n PRO 516 Ca 0.00 -0.88 -0.05 0.00 -0.04 0.00 0.00 63.50 62.52 2cqe n PRO 516 Cb 0.00 -0.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 2cqe n PRO 516 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqe s SER 517 N -2.99 -0.23 0.33 3.54 1.04 -1.26 -5.19 113.70 108.93 2cqe s SER 517 Ca 0.36 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2cqe s SER 517 Cb -0.04 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2cqe s SER 517 CO 0.27 -1.08 0.38 -0.44 0.98 0.00 0.00 173.24 173.35 2cqe s SER 518 N -2.91 1.14 0.00 7.02 0.01 -1.26 -5.38 113.70 112.32 2cqe s SER 518 Ca 0.11 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2cqe s SER 518 Cb -0.03 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2cqe s SER 518 CO 0.03 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.12