#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 4.29 -0.30 1.61 1.04 -1.26 -5.08 113.70 113.99 2cqe s SER 423 Ca 0.00 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.10 2cqe s SER 423 Cb 0.00 -1.45 0.07 0.00 0.10 0.00 0.00 66.02 64.74 2cqe s SER 423 CO 0.00 -0.20 -0.02 -0.44 0.98 0.00 0.00 173.24 173.55 2cqe s SER 424 N 1.18 4.70 -0.19 7.02 0.01 -1.26 -5.10 113.70 120.07 2cqe s SER 424 Ca -0.08 -1.58 -0.07 0.00 1.31 0.00 0.00 55.95 55.53 2cqe s SER 424 Cb -0.20 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 2cqe s SER 424 CO -0.05 -0.28 0.05 -0.83 0.41 0.00 0.00 173.24 172.54 2cqe s GLY 425 N 1.16 1.86 0.22 3.44 0.00 -1.26 -5.10 107.32 107.64 2cqe s GLY 425 Ca -0.02 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 43.96 2cqe s GLY 425 CO -0.05 0.12 -0.13 -0.45 0.00 0.00 0.00 173.10 172.59 2cqe s SER 426 N 0.56 2.56 -0.96 1.64 0.15 -1.26 -5.09 113.70 111.30 2cqe s SER 426 Ca 0.02 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 55.54 2cqe s SER 426 Cb -0.13 -0.13 0.24 0.00 -1.71 0.00 0.00 66.02 64.29 2cqe s SER 426 CO 0.01 -0.21 0.91 -0.94 1.20 0.00 0.00 173.24 174.22 2cqe s SER 427 N -3.33 6.75 0.09 5.45 1.04 -1.26 -4.89 113.70 117.54 2cqe s SER 427 Ca 0.24 -3.37 0.00 0.00 0.48 0.00 0.00 55.95 53.29 2cqe s SER 427 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2cqe s SER 427 CO 0.07 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2cqe n GLY 428 N 2.96 -5.02 1.76 7.32 0.00 -1.26 -4.70 105.19 106.25 2cqe n GLY 428 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 2cqe n GLY 428 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cqe n GLU 429 N 1.40 1.44 -3.49 1.61 1.02 -1.26 -4.78 120.64 116.59 2cqe n GLU 429 Ca 0.00 -0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 56.55 2cqe n GLU 429 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2cqe n GLU 429 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2cqe s LEU 430 N 0.00 -0.28 -0.69 -4.62 2.34 -1.26 -5.10 118.68 109.07 2cqe s LEU 430 Ca 0.32 -0.04 -0.26 0.00 0.06 0.00 0.00 54.13 54.20 2cqe s LEU 430 Cb 0.15 2.36 -0.03 0.00 -0.56 0.00 0.00 46.19 48.12 2cqe s LEU 430 CO 0.00 -0.91 1.88 -2.16 -1.06 0.00 0.00 176.35 174.11 2cqe s PRO 431 N -3.58 2.60 -0.03 1.48 0.04 -1.26 -4.92 135.00 129.34 2cqe s PRO 431 Ca 0.01 0.38 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 2cqe s PRO 431 Cb -0.00 -4.56 0.03 0.00 0.04 0.00 0.00 34.50 30.01 2cqe s PRO 431 CO -0.11 -2.90 0.34 0.15 0.04 0.00 0.00 177.00 174.52 2cqe s LYS 432 N 7.04 0.68 -0.03 4.56 -0.14 -1.26 -4.98 119.74 125.62 2cqe s LYS 432 Ca 0.68 -0.11 0.05 0.00 -1.36 0.00 0.00 55.97 55.24 2cqe s LYS 432 Cb -0.11 0.31 -0.01 0.00 -1.68 0.00 0.00 37.83 36.33 2cqe s LYS 432 CO 0.15 -0.19 -0.19 0.15 -0.76 0.00 0.00 175.35 174.52 2cqe s LYS 433 N -1.21 1.71 -0.69 1.68 -0.14 0.82 -5.03 119.74 116.89 2cqe s LYS 433 Ca -0.12 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 2cqe s LYS 433 Cb -0.05 -1.58 0.39 0.00 -1.68 0.00 0.00 37.83 34.91 2cqe s LYS 433 CO 0.04 0.36 1.78 0.54 -0.76 0.00 0.00 175.35 177.31 2cqe n ARG 434 N 2.80 2.95 -4.71 1.68 3.00 -1.26 -3.78 116.66 117.33 2cqe n ARG 434 Ca -0.16 -3.74 -0.26 0.00 -0.01 0.00 0.00 57.85 53.68 2cqe n ARG 434 Cb 0.53 -2.27 -0.14 0.00 0.00 0.00 0.00 32.46 30.58 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 -3.89 1.43 -0.59 5.56 2.02 -1.26 -4.87 118.70 117.10 2cqe s GLU 435 Ca 0.53 -0.88 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 2cqe s GLU 435 Cb 0.44 -1.50 -0.00 0.00 0.10 0.00 0.00 34.13 33.17 2cqe s GLU 435 CO -0.27 0.39 1.60 -1.17 0.02 0.00 0.00 175.26 175.84 2cqe s LEU 436 N -1.00 3.33 -0.29 1.80 2.96 -1.26 -2.82 118.68 121.39 2cqe s LEU 436 Ca 0.07 0.28 -0.44 0.00 -0.22 0.00 0.00 54.13 53.82 2cqe s LEU 436 Cb -0.08 -2.80 -0.20 0.00 0.50 0.00 0.00 46.19 43.60 2cqe s LEU 436 CO 0.01 -2.00 1.38 0.00 -1.32 0.00 0.00 176.35 174.43 2cqe n LYS 438 N 2.98 0.28 -0.12 0.00 2.85 -1.26 -2.98 118.16 119.91 2cqe n LYS 438 Ca 0.26 0.09 -0.24 0.00 -1.05 0.00 0.00 58.31 57.38 2cqe n LYS 438 Cb -0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.15 0.00 -0.34 5.58 3.72 -1.26 -4.50 117.46 119.50 2cqe n PHE 439 Ca 0.08 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.70 2cqe n PHE 439 Cb 0.07 -0.81 0.48 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.88 0.78 -1.79 1.38 3.20 -1.77 0.13 116.97 118.01 2cqe h TYR 440 Ca -0.53 0.03 0.53 0.00 3.14 0.00 0.00 58.73 61.90 2cqe h TYR 440 Cb 1.45 -0.22 -0.09 0.00 1.54 0.00 0.00 36.73 39.41 2cqe h TYR 440 CO -0.12 0.01 1.27 0.82 -1.64 0.00 0.00 178.16 178.50 2cqe h ILE 441 N 0.41 0.06 0.00 1.81 2.04 -1.77 0.33 117.51 120.38 2cqe h ILE 441 Ca 0.64 -0.00 -0.32 0.00 1.00 0.00 0.00 64.86 66.18 2cqe h ILE 441 Cb 1.54 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2cqe h ILE 441 CO -0.39 0.00 -2.21 0.35 0.00 0.00 0.00 178.15 175.90 2cqe n THR 442 N -4.10 1.21 0.00 -0.27 -2.24 0.40 -5.02 114.28 104.27 2cqe n THR 442 Ca 0.42 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2cqe n THR 442 Cb 1.85 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 2.14 1.32 3.31 3.38 0.00 0.11 -5.07 105.19 110.40 2cqe n GLY 443 Ca -0.32 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.01 3.36 -0.20 1.61 2.19 -1.25 -4.91 117.98 116.78 2cqe s PHE 444 Ca 0.00 -1.44 -0.02 0.00 0.33 0.00 0.00 56.93 55.79 2cqe s PHE 444 Cb 0.00 -3.81 0.06 0.00 -1.31 0.00 0.00 43.02 37.96 2cqe s PHE 444 CO 0.00 -1.01 0.03 0.00 1.83 0.00 0.00 175.22 176.06 2cqe n ALA 446 N 5.01 0.00 -2.47 0.00 0.00 -1.26 -3.89 120.51 117.90 2cqe n ALA 446 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2cqe n ALA 446 Cb 0.47 0.49 -0.02 0.00 0.00 0.00 0.00 19.45 20.38 2cqe n ALA 446 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cqe s ARG 447 N -2.95 3.62 0.00 0.00 0.52 -1.26 -4.93 118.95 113.95 2cqe s ARG 447 Ca 0.00 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 2cqe s ARG 447 Cb 0.00 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2cqe s ARG 447 CO 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 175.30 173.80 2cqe n ALA 448 N 8.43 0.00 1.84 2.13 0.00 -1.25 -3.24 120.51 128.42 2cqe n ALA 448 Ca 0.14 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 2cqe n ALA 448 Cb 0.49 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.95 1.14 -0.01 0.00 2.13 -1.26 -3.08 120.64 118.61 2cqe n GLU 449 Ca 0.00 -0.21 0.09 0.00 0.66 0.00 0.00 57.16 57.70 2cqe n GLU 449 Cb 0.00 -1.24 -0.14 0.00 0.27 0.00 0.00 31.44 30.33 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 -0.51 0.82 -4.60 4.31 3.02 -1.26 -4.93 115.26 112.11 2cqe n ASN 450 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 2cqe n ASN 450 Cb 0.10 1.83 -0.03 0.00 -0.61 0.00 0.00 39.78 41.07 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 8.71 0.49 -3.02 0.00 -0.04 -1.26 -4.75 135.00 135.13 2cqe n PRO 452 Ca 0.29 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 2cqe n PRO 452 Cb 0.45 -1.29 0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2cqe n PRO 452 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2cqe s TYR 453 N -2.00 1.45 0.04 0.54 1.51 -1.26 -0.12 117.35 117.50 2cqe s TYR 453 Ca 0.13 -0.71 -0.16 0.00 -1.01 0.00 0.00 57.07 55.32 2cqe s TYR 453 Cb 0.06 -2.23 -0.06 0.00 -0.11 0.00 0.00 41.96 39.62 2cqe s TYR 453 CO 0.10 -1.15 0.48 -1.64 -1.11 0.00 0.00 175.55 172.23 2cqe s MET 454 N -4.67 4.02 0.00 -0.62 -1.94 -1.13 -4.90 119.30 110.07 2cqe s MET 454 Ca 0.62 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 2cqe s MET 454 Cb -0.06 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2cqe s MET 454 CO 0.39 0.66 0.00 0.72 -0.01 0.00 0.00 175.02 176.78 2cqe n HIS 455 N 1.70 0.00 -0.03 -0.03 8.25 -1.26 -3.53 115.22 120.32 2cqe n HIS 455 Ca -0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2cqe n HIS 455 Cb 0.52 0.01 -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 -0.63 -1.41 0.00 -1.95 -3.36 103.07 95.73 2cqe h GLY 456 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2cqe h GLY 456 CO 0.00 0.00 -0.06 1.34 0.00 0.00 0.00 176.54 177.82 2cqe n ASP 457 N -3.41 -0.14 -4.60 0.19 2.03 -1.26 -3.62 116.55 105.74 2cqe n ASP 457 Ca -0.00 1.08 -0.62 0.00 0.52 0.00 0.00 54.79 55.76 2cqe n ASP 457 Cb 0.01 -0.36 -0.09 0.00 -0.72 0.00 0.00 41.12 39.96 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2cqe n PHE 458 N -4.91 1.14 -1.69 -0.67 7.35 -1.26 -4.67 117.46 112.76 2cqe n PHE 458 Ca 0.13 1.06 -0.33 0.00 -0.76 0.00 0.00 57.45 57.55 2cqe n PHE 458 Cb 0.41 -2.16 0.05 0.00 0.35 0.00 0.00 39.48 38.13 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 1.26 2.73 0.42 -7.13 0.04 -1.26 -3.20 135.00 127.85 2cqe s PRO 459 Ca 0.96 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2cqe s PRO 459 Cb -1.34 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 2cqe s PRO 459 CO 0.66 -1.30 1.09 0.00 0.04 0.00 0.00 177.00 177.49 2cqe h LYS 461 N 2.38 -0.00 -0.59 0.00 3.64 -1.95 -3.34 116.57 116.71 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 1.22 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 2cqe h LYS 461 CO 0.62 -0.00 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.17 2cqe h LEU 462 N -0.05 -1.91 -1.08 5.20 3.38 -1.95 0.76 115.31 119.67 2cqe h LEU 462 Ca -0.00 0.27 0.31 0.00 0.09 0.00 0.00 57.88 58.55 2cqe h LEU 462 Cb 0.00 0.81 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2cqe h LEU 462 CO 0.00 -0.35 1.21 0.00 0.09 0.00 0.00 178.44 179.40 2cqe n TYR 463 N -5.35 0.00 -0.13 1.13 9.36 -1.12 -0.24 117.16 120.81 2cqe n TYR 463 Ca -0.01 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.93 2cqe n TYR 463 Cb 0.32 -0.27 -0.10 0.00 -0.63 0.00 0.00 39.34 38.67 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 -3.24 0.11 -0.26 2.98 8.25 0.23 -1.54 115.22 121.74 2cqe n HIS 464 Ca 0.24 0.05 0.18 0.00 -0.26 0.00 0.00 57.72 57.93 2cqe n HIS 464 Cb 1.54 -0.97 0.35 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.33 0.00 1.59 -2.24 0.91 -2.91 114.28 107.02 2cqe n THR 465 Ca -0.49 1.65 0.00 0.00 -2.27 0.00 0.00 64.05 62.93 2cqe n THR 465 Cb 0.84 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 -4.93 0.00 0.00 4.28 -2.24 -0.94 -5.06 114.28 105.39 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 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.50 3.79 3.81 3.38 0.00 -0.59 -5.08 105.19 113.01 2cqe n GLY 467 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.05 4.99 -0.06 1.61 2.47 -1.19 -4.52 114.94 118.19 2cqe s ASN 468 Ca 0.00 -0.67 0.03 0.00 0.42 0.00 0.00 52.86 52.65 2cqe s ASN 468 Cb 0.00 -0.79 0.01 0.00 -1.45 0.00 0.00 41.25 39.01 2cqe s ASN 468 CO 0.00 -0.40 -0.16 0.00 -3.72 0.00 0.00 177.10 172.82 2cqe n ILE 470 N 3.54 0.24 -0.13 0.00 0.13 -1.26 -3.58 119.36 118.30 2cqe n ILE 470 Ca -0.21 -0.05 -0.26 0.00 -1.10 0.00 0.00 62.75 61.13 2cqe n ILE 470 Cb 0.52 -0.57 -0.11 0.00 -0.84 0.00 0.00 39.64 38.65 2cqe n ILE 470 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2cqe n ASN 471 N 0.09 1.97 0.00 9.51 3.02 -1.26 -5.13 115.26 123.45 2cqe n ASN 471 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2cqe n ASN 471 Cb 0.32 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 2cqe n ASN 471 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cqe n GLY 472 N 1.57 1.60 0.25 7.41 0.00 -1.23 -4.66 105.19 110.12 2cqe n GLY 472 Ca -0.51 -2.18 0.15 0.00 0.00 0.00 0.00 46.02 43.47 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 0.00 -1.32 1.61 5.19 -2.00 -1.55 116.42 118.34 2cqe h ASP 473 Ca 0.00 0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 55.71 2cqe h ASP 473 Cb 0.00 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 39.22 2cqe h ASP 473 CO 0.00 0.00 0.81 -0.90 -3.12 0.00 0.00 179.24 176.03 2cqe n ASP 474 N -2.60 7.44 -4.78 6.45 5.68 -1.26 -5.00 116.55 122.48 2cqe n ASP 474 Ca -0.02 -3.80 -0.37 0.00 -0.50 0.00 0.00 54.79 50.10 2cqe n ASP 474 Cb 0.15 -0.96 -0.03 0.00 -1.14 0.00 0.00 41.12 39.14 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqe h MET 476 N 2.36 0.00 -6.17 0.00 -0.00 -1.95 -3.44 114.93 105.74 2cqe h MET 476 Ca -0.49 0.00 -0.48 0.00 -0.00 0.00 0.00 59.70 58.74 2cqe h MET 476 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 2cqe h MET 476 CO 0.62 0.12 -0.44 -0.06 -0.00 0.00 0.00 176.91 177.14 2cqe s PHE 477 N -3.63 3.42 0.14 -0.10 0.08 -1.26 -4.88 117.98 111.76 2cqe s PHE 477 Ca 0.01 -0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 2cqe s PHE 477 Cb 0.09 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.91 2cqe s PHE 477 CO 0.60 0.46 0.96 -1.12 -0.10 0.00 0.00 175.22 176.02 2cqe s SER 478 N -3.85 7.53 -0.33 1.36 0.01 -1.19 -4.82 113.70 112.41 2cqe s SER 478 Ca 0.34 1.83 0.10 0.00 1.31 0.00 0.00 55.95 59.53 2cqe s SER 478 Cb -0.09 -2.59 0.74 0.00 0.21 0.00 0.00 66.02 64.28 2cqe s SER 478 CO 0.29 -0.02 1.80 1.41 0.41 0.00 0.00 173.24 177.13 2cqe n HIS 479 N 2.48 2.41 -1.51 2.43 8.25 -1.26 -1.40 115.22 126.62 2cqe n HIS 479 Ca 0.01 -1.23 -0.35 0.00 -0.26 0.00 0.00 57.72 55.90 2cqe n HIS 479 Cb 0.49 -0.69 0.09 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.12 4.32 -0.09 0.41 -4.77 -1.26 -4.92 116.67 109.23 2cqe s ASP 480 Ca 0.55 2.38 -0.30 0.00 -3.30 0.00 0.00 52.55 51.88 2cqe s ASP 480 Cb 0.44 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.64 2cqe s ASP 480 CO 0.13 -2.18 1.52 -2.16 0.70 0.00 0.00 175.17 173.18 2cqe s PRO 481 N -3.82 4.19 0.32 2.11 0.04 -1.26 -4.90 135.00 131.68 2cqe s PRO 481 Ca 0.75 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.56 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 0.44 -0.81 0.35 1.28 0.04 0.00 0.00 177.00 178.30 2cqe n LEU 482 N 6.97 -1.71 -4.14 -3.56 4.77 -1.26 -4.98 117.00 113.10 2cqe n LEU 482 Ca 0.16 0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 57.01 2cqe n LEU 482 Cb 0.43 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2cqe n LEU 482 CO 0.60 -3.46 -0.34 0.42 -1.33 0.00 0.00 177.39 173.28 2cqe s THR 483 N -1.36 0.32 0.44 -5.08 -4.23 -1.26 -4.83 115.64 99.64 2cqe s THR 483 Ca 0.62 -1.88 0.33 0.00 -1.18 0.00 0.00 61.69 59.58 2cqe s THR 483 Cb -0.75 -1.76 0.51 0.00 1.34 0.00 0.00 72.50 71.84 2cqe s THR 483 CO 0.59 -0.77 1.53 1.21 -0.54 0.00 0.00 174.62 176.65 2cqe n GLU 484 N -0.01 -0.03 -0.01 3.99 2.13 -1.26 0.14 120.64 125.58 2cqe n GLU 484 Ca -0.10 1.22 -0.00 0.00 0.66 0.00 0.00 57.16 58.94 2cqe n GLU 484 Cb 0.62 -2.43 -0.00 0.00 0.27 0.00 0.00 31.44 29.90 2cqe n GLU 484 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2cqe h GLU 485 N 0.00 0.00 -0.02 5.31 3.07 -2.00 -3.29 114.58 117.66 2cqe h GLU 485 Ca 0.87 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.76 2cqe h GLU 485 Cb 2.86 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 30.72 2cqe h GLU 485 CO -0.43 0.00 -0.31 1.79 -1.40 0.00 0.00 179.01 178.66 2cqe h THR 486 N -0.10 0.31 -0.96 1.13 1.35 -1.72 -2.15 112.91 110.76 2cqe h THR 486 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.07 2cqe h THR 486 Cb 0.00 0.31 -0.18 0.00 -1.73 0.00 0.00 68.15 66.55 2cqe h THR 486 CO 0.00 0.00 -0.18 -1.14 -0.25 0.00 0.00 175.52 173.95 2cqe n ARG 487 N -5.41 -0.08 -0.34 4.72 0.00 0.36 0.18 116.66 116.09 2cqe n ARG 487 Ca -0.05 1.49 0.12 0.00 -0.00 0.00 0.00 57.85 59.42 2cqe n ARG 487 Cb 0.32 -2.26 0.33 0.00 0.00 0.00 0.00 32.46 30.85 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 0.75 -0.01 -0.14 4.39 -1.45 -2.68 114.58 115.43 2cqe h GLU 488 Ca 0.49 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.16 2cqe h GLU 488 Cb 0.82 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2cqe h GLU 488 CO -0.97 0.49 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.08 2cqe h LEU 489 N 0.77 -0.69 -0.88 1.33 3.38 0.18 -2.62 115.31 116.78 2cqe h LEU 489 Ca 0.54 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.67 2cqe h LEU 489 Cb 0.83 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2cqe h LEU 489 CO -0.32 -0.21 -0.52 0.18 0.09 0.00 0.00 178.44 177.66 2cqe n LEU 490 N -3.73 -0.93 -0.34 1.67 4.77 -1.02 0.93 117.00 118.36 2cqe n LEU 490 Ca -0.03 1.68 0.33 0.00 -0.03 0.00 0.00 56.01 57.96 2cqe n LEU 490 Cb 0.16 -0.26 0.60 0.00 -2.33 0.00 0.00 43.42 41.59 2cqe n LEU 490 CO 0.05 -1.33 1.07 0.47 -1.33 0.00 0.00 177.39 176.32 2cqe n ASP 491 N -4.99 0.33 0.12 -1.43 9.92 -1.06 0.10 116.55 119.54 2cqe n ASP 491 Ca 0.02 1.62 -0.23 0.00 -0.53 0.00 0.00 54.79 55.67 2cqe n ASP 491 Cb 0.23 -0.79 -0.15 0.00 -0.64 0.00 0.00 41.12 39.77 2cqe n ASP 491 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2cqe h LYS 492 N 0.00 0.52 0.89 -1.24 3.64 0.91 -3.14 116.57 118.15 2cqe h LYS 492 Ca 0.85 -0.84 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2cqe h LYS 492 Cb 2.31 0.30 0.01 0.00 -0.41 0.00 0.00 32.23 34.44 2cqe h LYS 492 CO -0.73 1.39 -0.43 1.98 -2.27 0.00 0.00 179.45 179.40 2cqe h MET 493 N 0.08 -1.15 -0.78 1.90 4.05 0.39 -0.12 114.93 119.30 2cqe h MET 493 Ca -0.22 0.08 0.18 0.00 -0.28 0.00 0.00 59.70 59.46 2cqe h MET 493 Cb 2.02 0.26 -0.12 0.00 -0.80 0.00 0.00 31.60 32.95 2cqe h MET 493 CO 0.25 -0.76 0.18 -0.07 0.23 0.00 0.00 176.91 176.73 2cqe h LEU 494 N -1.30 -0.02 -0.75 3.39 -0.00 -0.51 0.17 115.31 116.29 2cqe h LEU 494 Ca -0.12 0.17 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 2cqe h LEU 494 Cb 0.91 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 2cqe h LEU 494 CO 0.20 -0.08 0.16 0.00 -0.00 0.00 0.00 178.44 178.72 2cqe h ALA 495 N 1.67 0.97 -0.96 1.53 0.00 -1.48 -2.46 119.26 118.53 2cqe h ALA 495 Ca 0.46 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.24 2cqe h ALA 495 Cb 0.82 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2cqe h ALA 495 CO -0.57 0.66 0.59 0.22 0.00 0.00 0.00 179.25 180.15 2cqe h ASP 496 N 1.05 0.85 0.35 0.00 3.58 0.13 0.24 116.42 122.61 2cqe h ASP 496 Ca 0.22 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 2cqe h ASP 496 Cb 0.37 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2cqe h ASP 496 CO 0.00 0.45 -0.17 -0.78 -2.88 0.00 0.00 179.24 175.86 2cqe h ASP 497 N 0.93 -0.39 0.06 2.28 3.58 -1.14 -3.20 116.42 118.53 2cqe h ASP 497 Ca 0.48 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.96 2cqe h ASP 497 Cb 0.49 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 2cqe h ASP 497 CO -0.27 -0.09 -0.47 0.00 -2.88 0.00 0.00 179.24 175.53 2cqe h ALA 498 N -1.40 -0.93 -0.73 -0.78 0.00 -1.31 -2.15 119.26 111.97 2cqe h ALA 498 Ca -0.05 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2cqe h ALA 498 Cb 0.36 0.88 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2cqe h ALA 498 CO 0.08 -1.06 -0.21 -1.91 0.00 0.00 0.00 179.25 176.15 2cqe n GLU 499 N -5.13 -0.09 -1.53 0.00 4.07 0.82 -4.03 120.64 114.76 2cqe n GLU 499 Ca -0.07 1.13 -0.31 0.00 -0.06 0.00 0.00 57.16 57.85 2cqe n GLU 499 Cb 0.36 -1.69 -0.11 0.00 -0.06 0.00 0.00 31.44 29.94 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 -3.70 0.60 0.01 4.31 0.00 -0.81 -3.83 120.51 117.09 2cqe n ALA 500 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2cqe n ALA 500 Cb 0.35 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.04 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 6.22 -1.99 3.21 0.00 0.00 -1.26 -5.03 105.19 106.35 2cqe n GLY 501 Ca 0.54 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.12 1.94 -1.16 4.61 0.00 -1.25 -5.05 121.76 119.73 2cqe s ALA 502 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 2cqe s ALA 502 Cb 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 2cqe s ALA 502 CO 0.00 0.35 1.93 -2.00 0.00 0.00 0.00 175.76 176.04 2cqe s GLU 503 N -0.03 2.53 -0.29 0.00 2.56 -1.26 -4.89 118.70 117.32 2cqe s GLU 503 Ca -0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 54.97 53.76 2cqe s GLU 503 Cb -0.14 -5.23 0.02 0.00 2.00 0.00 0.00 34.13 30.78 2cqe s GLU 503 CO 0.04 -3.90 0.05 0.34 -0.56 0.00 0.00 175.26 171.23 2cqe s ASP 504 N 6.59 4.94 -0.37 -1.70 2.15 -1.26 -5.07 116.67 121.96 2cqe s ASP 504 Ca 0.68 -0.79 -0.02 0.00 0.43 0.00 0.00 52.55 52.85 2cqe s ASP 504 Cb -0.01 -1.82 0.09 0.00 -0.30 0.00 0.00 42.92 40.87 2cqe s ASP 504 CO 0.12 -0.19 0.13 -1.61 -0.17 0.00 0.00 175.17 173.45 2cqe s GLU 505 N 1.44 2.13 0.38 4.34 0.41 -1.26 -5.09 118.70 121.05 2cqe s GLU 505 Ca 0.02 -1.63 0.08 0.00 -0.41 0.00 0.00 54.97 53.03 2cqe s GLU 505 Cb -0.17 -3.44 -0.06 0.00 -1.78 0.00 0.00 34.13 28.67 2cqe s GLU 505 CO 0.01 -0.91 0.06 -1.59 -0.49 0.00 0.00 175.26 172.33 2cqe s LYS 506 N 1.17 2.07 -0.07 1.61 -2.85 -1.26 -5.15 119.74 115.27 2cqe s LYS 506 Ca 0.04 -1.88 -0.13 0.00 -1.00 0.00 0.00 55.97 53.00 2cqe s LYS 506 Cb -0.22 -1.85 0.03 0.00 -2.06 0.00 0.00 37.83 33.73 2cqe s LYS 506 CO -0.03 0.01 0.32 -1.83 0.10 0.00 0.00 175.35 173.92 2cqe s GLU 507 N -3.77 0.52 -0.33 1.78 1.03 -1.26 -5.13 118.70 111.55 2cqe s GLU 507 Ca 0.37 0.13 -0.29 0.00 0.03 0.00 0.00 54.97 55.21 2cqe s GLU 507 Cb 0.04 0.24 0.02 0.00 -0.80 0.00 0.00 34.13 33.63 2cqe s GLU 507 CO 0.20 -0.11 1.06 0.54 -1.33 0.00 0.00 175.26 175.61 2cqe s VAL 508 N -0.59 4.51 1.10 1.83 0.11 -1.26 -5.02 120.40 121.08 2cqe s VAL 508 Ca -0.07 1.66 -0.12 0.00 -2.93 0.00 0.00 61.98 60.51 2cqe s VAL 508 Cb -0.04 -4.41 0.25 0.00 -1.53 0.00 0.00 36.38 30.65 2cqe s VAL 508 CO 0.02 -0.50 1.05 -1.61 -3.33 0.00 0.00 175.10 170.73 2cqe s GLU 509 N 3.66 -0.43 0.16 1.54 2.02 -1.26 -4.88 118.70 119.51 2cqe s GLU 509 Ca 0.45 0.89 -0.34 0.00 0.02 0.00 0.00 54.97 55.99 2cqe s GLU 509 Cb -0.12 -1.61 -0.14 0.00 0.10 0.00 0.00 34.13 32.36 2cqe s GLU 509 CO 0.16 -3.41 1.55 0.39 0.02 0.00 0.00 175.26 173.98 2cqe n GLU 510 N -4.70 2.09 -0.03 1.61 4.71 -1.26 -4.88 120.64 118.17 2cqe n GLU 510 Ca 0.05 0.75 -0.04 0.00 -0.01 0.00 0.00 57.16 57.91 2cqe n GLU 510 Cb 0.54 -2.51 -0.02 0.00 -1.01 0.00 0.00 31.44 28.44 2cqe n GLU 510 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2cqe n LEU 511 N 3.29 2.55 -1.87 -4.62 4.77 -1.26 -4.67 117.00 115.19 2cqe n LEU 511 Ca 0.17 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 2cqe n LEU 511 Cb 0.28 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2cqe n LEU 511 CO 0.63 0.51 1.19 0.29 -1.33 0.00 0.00 177.39 178.68 2cqe n LYS 512 N -2.76 1.80 -2.88 3.23 5.02 -1.26 -4.88 118.16 116.44 2cqe n LYS 512 Ca -0.10 -1.60 -0.43 0.00 -2.02 0.00 0.00 58.31 54.17 2cqe n LYS 512 Cb 0.60 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 2cqe n LYS 512 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2cqe s LYS 513 N -1.85 3.36 0.31 1.97 2.36 -1.26 -5.01 119.74 119.62 2cqe s LYS 513 Ca 0.31 -0.22 0.03 0.00 -2.55 0.00 0.00 55.97 53.54 2cqe s LYS 513 Cb 0.25 -4.02 -0.05 0.00 -1.05 0.00 0.00 37.83 32.96 2cqe s LYS 513 CO 0.00 -1.37 0.11 0.45 1.55 0.00 0.00 175.35 176.09 2cqe s SER 514 N 2.63 1.83 0.16 1.43 0.15 -1.26 -5.18 113.70 113.46 2cqe s SER 514 Ca 0.30 -1.48 -0.02 0.00 0.70 0.00 0.00 55.95 55.46 2cqe s SER 514 Cb -0.13 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 2cqe s SER 514 CO 0.20 -0.78 0.11 -0.83 1.20 0.00 0.00 173.24 173.15 2cqe s GLY 515 N -3.42 1.13 0.08 9.45 0.00 -1.26 -5.13 107.32 108.17 2cqe s GLY 515 Ca 0.35 -1.52 -0.31 0.00 0.00 0.00 0.00 44.72 43.24 2cqe s GLY 515 CO 0.15 -1.33 1.39 2.56 0.00 0.00 0.00 173.10 175.87 2cqe s PRO 516 N -4.09 4.31 0.55 2.90 0.04 -1.26 -5.02 135.00 132.44 2cqe s PRO 516 Ca 0.30 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 2cqe s PRO 516 Cb 0.07 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2cqe s PRO 516 CO 0.06 -0.47 0.93 -1.12 0.04 0.00 0.00 177.00 176.44 2cqe s SER 517 N 1.38 6.30 0.08 6.66 0.01 -1.26 -5.08 113.70 121.78 2cqe s SER 517 Ca 0.64 1.26 0.05 0.00 1.31 0.00 0.00 55.95 59.21 2cqe s SER 517 Cb -0.35 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2cqe s SER 517 CO 0.29 -0.72 -0.04 -0.44 0.41 0.00 0.00 173.24 172.74 2cqe s SER 518 N -3.98 4.75 0.00 2.44 0.01 -1.26 -5.36 113.70 110.30 2cqe s SER 518 Ca 0.53 -0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.66 2cqe s SER 518 Cb -0.11 -1.06 0.10 0.00 0.21 0.00 0.00 66.02 65.16 2cqe s SER 518 CO 0.47 0.19 0.88 0.61 0.41 0.00 0.00 173.24 175.81