#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 5.32 0.35 1.61 0.01 -1.26 -5.09 113.70 114.63 2cqe s SER 423 Ca 0.00 -1.08 0.08 0.00 1.31 0.00 0.00 55.95 56.26 2cqe s SER 423 Cb 0.00 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2cqe s SER 423 CO 0.00 -0.31 0.20 -0.94 0.41 0.00 0.00 173.24 172.59 2cqe s SER 424 N 1.42 4.85 0.00 2.44 1.04 -1.26 -5.07 113.70 117.13 2cqe s SER 424 Ca -0.01 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2cqe s SER 424 Cb -0.19 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2cqe s SER 424 CO 0.03 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2cqe n GLY 425 N -1.23 2.62 2.70 7.32 0.00 -1.26 -5.13 105.19 110.20 2cqe n GLY 425 Ca -0.02 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 2cqe n GLY 425 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqe s SER 426 N 0.00 2.64 -0.42 1.61 0.01 -1.26 -5.11 113.70 111.17 2cqe s SER 426 Ca 0.00 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 2cqe s SER 426 Cb 0.00 -0.48 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2cqe s SER 426 CO 0.00 -0.31 0.33 -0.94 0.41 0.00 0.00 173.24 172.73 2cqe s SER 427 N 1.94 6.13 -0.32 2.44 1.04 -1.26 -5.01 113.70 118.66 2cqe s SER 427 Ca 0.00 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2cqe s SER 427 Cb -0.16 -2.17 0.15 0.00 0.10 0.00 0.00 66.02 63.93 2cqe s SER 427 CO -0.08 -0.49 0.34 -0.83 0.98 0.00 0.00 173.24 173.17 2cqe s GLY 428 N 1.79 -0.16 0.75 7.32 0.00 -1.26 -5.15 107.32 110.61 2cqe s GLY 428 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.17 2cqe s GLY 428 CO 0.10 2.74 1.12 -0.54 0.00 0.00 0.00 173.10 176.53 2cqe s GLU 429 N 2.04 2.47 0.18 2.90 2.02 -1.26 -5.10 118.70 121.95 2cqe s GLU 429 Ca 0.12 0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.55 2cqe s GLU 429 Cb -0.14 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 2cqe s GLU 429 CO -0.21 -1.29 -0.13 -0.51 0.02 0.00 0.00 175.26 173.14 2cqe s LEU 430 N -5.48 2.54 0.00 1.80 1.02 -1.26 -5.02 118.68 112.28 2cqe s LEU 430 Ca 0.60 -1.00 0.11 0.00 0.02 0.00 0.00 54.13 53.85 2cqe s LEU 430 Cb -0.11 -0.56 0.63 0.00 0.02 0.00 0.00 46.19 46.17 2cqe s LEU 430 CO 0.51 -0.22 1.07 -0.81 0.02 0.00 0.00 176.35 176.92 2cqe n PRO 431 N -0.24 0.49 -3.53 1.29 -0.04 -1.26 -4.73 135.00 126.98 2cqe n PRO 431 Ca -0.09 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.01 2cqe n PRO 431 Cb 0.60 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.81 0.06 0.54 -0.14 -1.26 -5.02 119.74 115.73 2cqe s LYS 432 Ca 0.16 0.26 0.02 0.00 -1.36 0.00 0.00 55.97 55.05 2cqe s LYS 432 Cb 0.07 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 2cqe s LYS 432 CO 0.12 0.57 0.08 0.15 -0.76 0.00 0.00 175.35 175.51 2cqe s LYS 433 N -1.79 2.93 -0.33 1.68 1.02 0.12 -5.03 119.74 118.33 2cqe s LYS 433 Ca 0.32 -0.64 0.08 0.00 0.02 0.00 0.00 55.97 55.75 2cqe s LYS 433 Cb -0.14 -2.76 0.45 0.00 -0.52 0.00 0.00 37.83 34.86 2cqe s LYS 433 CO 0.17 0.59 1.16 0.54 -0.92 0.00 0.00 175.35 176.89 2cqe n ARG 434 N 0.66 3.40 -4.32 1.68 3.00 -1.26 -3.91 116.66 115.91 2cqe n ARG 434 Ca -0.10 -4.20 -0.29 0.00 -0.01 0.00 0.00 57.85 53.25 2cqe n ARG 434 Cb 0.52 -2.21 -0.11 0.00 0.00 0.00 0.00 32.46 30.66 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 -3.58 1.78 0.12 5.56 0.41 -1.26 -4.78 118.70 116.94 2cqe s GLU 435 Ca 0.48 -1.25 -0.32 0.00 -0.41 0.00 0.00 54.97 53.47 2cqe s GLU 435 Cb 0.40 -2.08 -0.11 0.00 -1.78 0.00 0.00 34.13 30.56 2cqe s GLU 435 CO -0.03 0.46 1.80 -0.11 -0.49 0.00 0.00 175.26 176.89 2cqe n LEU 436 N 0.59 3.86 -4.76 1.80 7.94 -1.26 -2.22 117.00 122.95 2cqe n LEU 436 Ca -0.14 1.01 -0.38 0.00 -1.11 0.00 0.00 56.01 55.39 2cqe n LEU 436 Cb 0.54 -1.52 0.02 0.00 0.53 0.00 0.00 43.42 42.98 2cqe n LEU 436 CO 0.30 0.10 0.91 0.00 -1.11 0.00 0.00 177.39 177.58 2cqe n LYS 438 N -0.73 0.04 -0.11 0.00 5.02 -1.26 -3.68 118.16 117.44 2cqe n LYS 438 Ca 0.09 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 2cqe n LYS 438 Cb 0.46 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2cqe n PHE 439 N -1.60 0.00 -0.35 2.13 3.72 -1.26 -4.50 117.46 115.60 2cqe n PHE 439 Ca 0.07 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.73 2cqe n PHE 439 Cb 0.35 -0.80 0.54 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.49 0.63 -1.16 1.38 3.20 -1.87 0.14 116.97 118.81 2cqe h TYR 440 Ca -0.52 0.02 0.39 0.00 3.14 0.00 0.00 58.73 61.76 2cqe h TYR 440 Cb 1.58 -0.18 -0.14 0.00 1.54 0.00 0.00 36.73 39.53 2cqe h TYR 440 CO -0.03 -0.00 0.71 0.82 -1.64 0.00 0.00 178.16 178.02 2cqe h ILE 441 N 0.32 0.18 0.00 1.81 2.04 -1.79 -1.20 117.51 118.87 2cqe h ILE 441 Ca 0.64 -0.05 -0.35 0.00 1.00 0.00 0.00 64.86 66.10 2cqe h ILE 441 Cb 1.74 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2cqe h ILE 441 CO -0.33 0.03 -2.33 0.35 0.00 0.00 0.00 178.15 175.87 2cqe n THR 442 N -4.87 1.34 0.00 -0.27 -2.24 0.40 -5.02 114.28 103.62 2cqe n THR 442 Ca 0.35 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2cqe n THR 442 Cb 1.25 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.19 1.11 3.04 3.38 0.00 -0.46 -5.04 105.19 109.42 2cqe n GLY 443 Ca -0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2cqe n GLY 443 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2cqe n PHE 444 N -0.25 2.64 -3.64 1.61 7.35 -1.23 -4.92 117.46 119.01 2cqe n PHE 444 Ca 0.00 -2.74 -0.39 0.00 -0.76 0.00 0.00 57.45 53.55 2cqe n PHE 444 Cb 0.00 -1.33 -0.11 0.00 0.35 0.00 0.00 39.48 38.39 2cqe n PHE 444 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2cqe n ALA 446 N 4.87 -0.56 -2.58 0.00 0.00 -1.26 -3.82 120.51 117.16 2cqe n ALA 446 Ca -0.10 0.74 -0.43 0.00 0.00 0.00 0.00 53.44 53.65 2cqe n ALA 446 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 -5.18 3.57 0.00 0.00 0.52 -1.26 -4.94 118.95 111.65 2cqe s ARG 447 Ca -0.10 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 2cqe s ARG 447 Cb 0.10 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 31.63 2cqe s ARG 447 CO 0.54 -1.32 0.00 0.00 0.02 0.00 0.00 175.30 174.54 2cqe n ALA 448 N 7.46 0.00 1.82 2.13 0.00 -1.25 -3.63 120.51 127.04 2cqe n ALA 448 Ca 0.08 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2cqe n ALA 448 Cb 0.49 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.79 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 -0.75 0.96 -0.00 0.00 2.13 -1.26 -2.95 120.64 118.76 2cqe n GLU 449 Ca 0.00 -0.11 0.12 0.00 0.66 0.00 0.00 57.16 57.83 2cqe n GLU 449 Cb 0.00 -1.50 0.13 0.00 0.27 0.00 0.00 31.44 30.34 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 -0.92 2.92 -4.61 4.31 5.03 -1.26 -4.89 115.26 115.84 2cqe n ASN 450 Ca 0.21 -1.97 -0.43 0.00 0.87 0.00 0.00 54.58 53.26 2cqe n ASN 450 Cb 0.17 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.90 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2cqe n PRO 452 N 7.68 0.49 -3.03 0.00 -0.04 -1.26 -4.74 135.00 134.09 2cqe n PRO 452 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2cqe n PRO 452 Cb 0.49 -1.31 0.07 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.17 -0.02 0.54 1.51 -1.25 0.15 117.35 117.45 2cqe s TYR 453 Ca 0.15 -0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 55.31 2cqe s TYR 453 Cb 0.07 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2cqe s TYR 453 CO 0.11 -1.29 0.34 -1.64 -1.11 0.00 0.00 175.55 171.96 2cqe s MET 454 N -4.73 3.78 0.00 -0.62 -1.94 -0.94 -4.91 119.30 109.93 2cqe s MET 454 Ca 0.63 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.86 2cqe s MET 454 Cb -0.05 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.60 2cqe s MET 454 CO 0.40 0.70 0.00 0.72 -0.01 0.00 0.00 175.02 176.83 2cqe n HIS 455 N 1.77 0.00 -0.02 -0.03 8.25 -1.26 -3.38 115.22 120.54 2cqe n HIS 455 Ca -0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2cqe n HIS 455 Cb 0.53 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.70 -1.41 0.00 -1.95 -3.35 103.07 95.66 2cqe h GLY 456 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 2cqe h GLY 456 CO 0.00 0.00 0.17 1.22 0.00 0.00 0.00 176.54 177.93 2cqe n ASP 457 N -3.22 0.06 -4.57 0.19 8.00 -1.26 -3.62 116.55 112.14 2cqe n ASP 457 Ca -0.00 1.17 -0.57 0.00 0.71 0.00 0.00 54.79 56.10 2cqe n ASP 457 Cb 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 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 -4.78 1.12 -2.26 1.24 7.35 -1.26 -4.73 117.46 114.14 2cqe n PHE 458 Ca 0.21 0.90 -0.35 0.00 -0.76 0.00 0.00 57.45 57.44 2cqe n PHE 458 Cb 0.70 -2.21 -0.00 0.00 0.35 0.00 0.00 39.48 38.32 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 0.65 3.44 0.50 -7.13 0.04 -1.26 -3.26 135.00 127.98 2cqe s PRO 459 Ca 0.91 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 63.39 2cqe s PRO 459 Cb -1.17 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2cqe s PRO 459 CO 0.56 -0.78 1.05 0.00 0.04 0.00 0.00 177.00 177.87 2cqe h LYS 461 N 1.45 0.00 -0.60 0.00 3.64 -1.95 -3.34 116.57 115.76 2cqe h LYS 461 Ca -0.49 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2cqe h LYS 461 Cb 1.23 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 2cqe h LYS 461 CO 0.59 0.00 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.14 2cqe h LEU 462 N -0.02 -1.92 -0.99 5.20 3.38 -1.95 0.80 115.31 119.82 2cqe h LEU 462 Ca 0.00 0.27 0.29 0.00 0.09 0.00 0.00 57.88 58.52 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 -0.33 1.18 0.00 0.09 0.00 0.00 178.44 179.38 2cqe n TYR 463 N -5.25 0.00 -0.13 1.13 9.36 -1.07 -0.28 117.16 120.92 2cqe n TYR 463 Ca -0.02 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.94 2cqe n TYR 463 Cb 0.30 -0.25 -0.09 0.00 -0.63 0.00 0.00 39.34 38.68 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 -3.16 0.05 -0.25 2.98 8.25 0.24 -1.53 115.22 121.80 2cqe n HIS 464 Ca 0.22 0.02 0.24 0.00 -0.26 0.00 0.00 57.72 57.94 2cqe n HIS 464 Cb 1.48 -0.92 0.43 0.00 1.12 0.00 0.00 29.99 32.09 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 -0.26 0.00 1.59 -2.24 0.10 -2.84 114.28 106.34 2cqe n THR 465 Ca -0.47 1.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.66 2cqe n THR 465 Cb 0.82 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 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 -4.41 0.00 0.00 4.28 -2.24 -0.99 -5.07 114.28 105.85 2cqe n THR 466 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2cqe n THR 466 Cb 0.95 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 2.11 4.47 3.84 3.38 0.00 -0.58 -5.08 105.19 113.33 2cqe n GLY 467 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 5.02 0.13 1.61 3.84 -1.18 -4.52 114.94 119.84 2cqe s ASN 468 Ca 0.00 -0.71 0.11 0.00 0.21 0.00 0.00 52.86 52.46 2cqe s ASN 468 Cb 0.00 -0.69 -0.04 0.00 -0.55 0.00 0.00 41.25 39.98 2cqe s ASN 468 CO 0.00 -0.53 -0.26 0.00 -2.79 0.00 0.00 177.10 173.52 2cqe h ILE 470 N 3.87 1.38 0.22 0.00 6.09 -2.01 -3.33 117.51 123.73 2cqe h ILE 470 Ca -0.50 -2.43 0.00 0.00 -1.37 0.00 0.00 64.86 60.56 2cqe h ILE 470 Cb 1.17 2.43 -0.03 0.00 0.47 0.00 0.00 36.82 40.86 2cqe h ILE 470 CO 0.40 0.73 -0.43 0.78 -3.07 0.00 0.00 178.15 176.55 2cqe h ASN 471 N 0.26 -1.26 0.00 2.19 4.21 -1.97 -3.49 115.58 115.51 2cqe h ASN 471 Ca -0.09 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2cqe h ASN 471 Cb 1.61 0.45 0.00 0.00 -1.12 0.00 0.00 38.32 39.26 2cqe h ASN 471 CO 0.17 -0.50 0.00 0.61 -1.29 0.00 0.00 177.43 176.42 2cqe n GLY 472 N -1.43 0.87 0.30 2.83 0.00 -1.25 -4.86 105.19 101.64 2cqe n GLY 472 Ca -0.08 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 1.02 -2.45 1.61 5.19 -1.95 -3.26 116.42 116.58 2cqe h ASP 473 Ca 0.00 -0.33 -0.81 0.00 -0.62 0.00 0.00 57.03 55.27 2cqe h ASP 473 Cb 0.00 -0.28 -0.27 0.00 0.18 0.00 0.00 39.33 38.97 2cqe h ASP 473 CO 0.00 1.12 0.99 0.47 -3.12 0.00 0.00 179.24 178.70 2cqe n ASP 474 N -4.15 7.03 -4.78 6.45 9.92 -1.26 -5.02 116.55 124.74 2cqe n ASP 474 Ca 0.02 -3.57 -0.37 0.00 -0.53 0.00 0.00 54.79 50.33 2cqe n ASP 474 Cb 0.39 -1.21 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 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 3.09 0.00 -6.20 0.00 -0.00 -1.95 -3.41 114.93 106.46 2cqe h MET 476 Ca -0.47 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 58.74 2cqe h MET 476 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.76 2cqe h MET 476 CO 0.65 0.00 -0.50 -0.06 -0.00 0.00 0.00 176.91 177.00 2cqe s PHE 477 N -4.50 3.20 0.35 -0.10 0.08 -1.26 -4.89 117.98 110.86 2cqe s PHE 477 Ca -0.04 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.67 2cqe s PHE 477 Cb 0.14 -1.46 -0.10 0.00 -0.57 0.00 0.00 43.02 41.03 2cqe s PHE 477 CO 0.49 0.49 0.94 -1.12 -0.10 0.00 0.00 175.22 175.92 2cqe s SER 478 N -3.88 7.23 -0.21 1.36 0.01 -1.20 -4.84 113.70 112.17 2cqe s SER 478 Ca 0.33 1.79 0.15 0.00 1.31 0.00 0.00 55.95 59.53 2cqe s SER 478 Cb -0.08 -2.57 0.52 0.00 0.21 0.00 0.00 66.02 64.10 2cqe s SER 478 CO 0.26 -0.14 1.44 1.41 0.41 0.00 0.00 173.24 176.61 2cqe n HIS 479 N 0.24 1.00 -1.06 2.43 8.25 -1.26 -0.95 115.22 123.87 2cqe n HIS 479 Ca 0.03 -1.08 -0.33 0.00 -0.26 0.00 0.00 57.72 56.07 2cqe n HIS 479 Cb 0.51 -0.37 0.13 0.00 1.12 0.00 0.00 29.99 31.38 2cqe n HIS 479 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2cqe n ASP 480 N -0.71 0.49 -4.61 0.41 8.00 -1.26 -4.88 116.55 113.98 2cqe n ASP 480 Ca 0.25 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.87 2cqe n ASP 480 Cb 0.94 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 2cqe n ASP 480 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cqe s PRO 481 N -3.98 3.57 -0.03 -0.24 0.04 -1.26 -4.91 135.00 128.19 2cqe s PRO 481 Ca 0.71 1.46 -0.40 0.00 0.04 0.00 0.00 61.00 62.81 2cqe s PRO 481 Cb -0.29 -4.10 -0.20 0.00 0.04 0.00 0.00 34.50 29.96 2cqe s PRO 481 CO 0.53 -1.57 1.09 1.28 0.04 0.00 0.00 177.00 178.38 2cqe n LEU 482 N 9.26 0.07 0.00 -3.56 4.77 -1.26 -4.95 117.00 121.32 2cqe n LEU 482 Ca 0.20 1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 57.11 2cqe n LEU 482 Cb 0.46 -0.90 0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2cqe n LEU 482 CO 0.67 -1.82 0.30 0.35 -1.33 0.00 0.00 177.39 175.56 2cqe n THR 483 N 1.63 0.00 0.13 -5.08 -2.24 -1.26 -4.90 114.28 102.56 2cqe n THR 483 Ca 0.20 -2.05 -0.01 0.00 -2.27 0.00 0.00 64.05 59.92 2cqe n THR 483 Cb 0.07 -0.37 0.22 0.00 -2.10 0.00 0.00 70.33 68.15 2cqe n THR 483 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cqe h GLU 484 N 0.00 0.08 0.15 -0.78 9.09 -1.99 -0.57 114.58 120.55 2cqe h GLU 484 Ca -0.30 -0.04 -0.25 0.00 0.05 0.00 0.00 59.36 58.82 2cqe h GLU 484 Cb 1.29 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.42 2cqe h GLU 484 CO 0.44 0.58 -1.06 1.05 0.05 0.00 0.00 179.01 180.07 2cqe h GLU 485 N 0.06 0.45 0.05 1.06 4.11 -2.01 -3.35 114.58 114.96 2cqe h GLU 485 Ca -0.00 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.74 2cqe h GLU 485 Cb 0.93 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2cqe h GLU 485 CO 0.07 1.31 -0.02 1.79 0.07 0.00 0.00 179.01 182.23 2cqe h THR 486 N -0.06 1.23 -1.80 -1.06 1.35 -1.94 -3.05 112.91 107.58 2cqe h THR 486 Ca -0.18 -0.96 0.54 0.00 -0.55 0.00 0.00 66.41 65.27 2cqe h THR 486 Cb 1.80 1.86 -0.09 0.00 -1.73 0.00 0.00 68.15 69.99 2cqe h THR 486 CO 0.20 0.24 1.28 -1.14 -0.25 0.00 0.00 175.52 175.85 2cqe n ARG 487 N -4.92 -0.01 -0.10 4.72 0.00 -0.23 0.23 116.66 116.35 2cqe n ARG 487 Ca -0.08 1.09 -0.14 0.00 -0.00 0.00 0.00 57.85 58.72 2cqe n ARG 487 Cb 0.23 -2.44 -0.04 0.00 0.00 0.00 0.00 32.46 30.22 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 0.81 0.15 -0.14 5.08 -1.66 -3.18 114.58 115.63 2cqe h GLU 488 Ca 0.91 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2cqe h GLU 488 Cb 3.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.75 2cqe h GLU 488 CO -0.11 1.08 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.70 2cqe h LEU 489 N 0.58 -0.58 -1.00 1.33 3.38 0.27 -2.91 115.31 116.38 2cqe h LEU 489 Ca 0.04 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.19 2cqe h LEU 489 Cb 0.95 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2cqe h LEU 489 CO 0.09 -0.25 -0.48 0.18 0.09 0.00 0.00 178.44 178.07 2cqe n LEU 490 N -3.59 -0.83 -0.32 1.67 4.77 -1.17 0.82 117.00 118.35 2cqe n LEU 490 Ca -0.04 1.75 0.27 0.00 -0.03 0.00 0.00 56.01 57.97 2cqe n LEU 490 Cb 0.18 -0.32 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 2cqe n LEU 490 CO 0.09 -1.51 0.98 0.47 -1.33 0.00 0.00 177.39 176.09 2cqe n ASP 491 N -5.37 0.23 0.09 -1.43 9.92 -1.11 0.51 116.55 119.39 2cqe n ASP 491 Ca 0.06 1.64 -0.22 0.00 -0.53 0.00 0.00 54.79 55.75 2cqe n ASP 491 Cb 0.34 -0.75 -0.15 0.00 -0.64 0.00 0.00 41.12 39.91 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 0.40 0.66 -1.24 1.63 0.57 -3.05 116.57 115.54 2cqe h LYS 492 Ca 0.78 -0.68 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2cqe h LYS 492 Cb 1.98 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.86 2cqe h LYS 492 CO -0.80 1.32 -0.33 1.98 -3.45 0.00 0.00 179.45 178.17 2cqe h MET 493 N -0.17 -0.87 -0.25 1.90 4.05 0.23 0.32 114.93 120.15 2cqe h MET 493 Ca -0.19 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.34 2cqe h MET 493 Cb 1.85 0.20 -0.08 0.00 -0.80 0.00 0.00 31.60 32.78 2cqe h MET 493 CO 0.20 -0.58 -0.40 -0.07 0.23 0.00 0.00 176.91 176.29 2cqe h LEU 494 N -0.90 -1.29 -0.31 3.39 3.38 -0.40 -1.76 115.31 117.42 2cqe h LEU 494 Ca -0.09 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2cqe h LEU 494 Cb 0.70 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2cqe h LEU 494 CO 0.14 -0.39 -0.01 0.00 0.09 0.00 0.00 178.44 178.27 2cqe h ALA 495 N 0.32 0.26 -0.84 1.53 0.00 -1.54 0.31 119.26 119.31 2cqe h ALA 495 Ca 0.11 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.29 2cqe h ALA 495 Cb 0.59 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 2cqe h ALA 495 CO -0.46 -0.42 -0.12 -0.44 0.00 0.00 0.00 179.25 177.81 2cqe h ASP 496 N 0.08 -0.63 0.05 0.00 3.32 0.51 0.17 116.42 119.93 2cqe h ASP 496 Ca 0.15 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 2cqe h ASP 496 Cb 0.20 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2cqe h ASP 496 CO -0.26 -0.26 -0.03 -0.78 -1.72 0.00 0.00 179.24 176.19 2cqe h ASP 497 N 0.03 -0.06 -0.81 6.45 1.82 -0.89 -3.34 116.42 119.61 2cqe h ASP 497 Ca 0.43 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 57.23 2cqe h ASP 497 Cb 0.73 0.02 -0.15 0.00 0.68 0.00 0.00 39.33 40.60 2cqe h ASP 497 CO -0.82 0.33 -0.22 0.00 -1.61 0.00 0.00 179.24 176.93 2cqe n ALA 498 N -2.62 0.16 -0.15 -0.78 0.00 0.10 0.13 120.51 117.34 2cqe n ALA 498 Ca -0.01 0.89 -0.11 0.00 0.00 0.00 0.00 53.44 54.21 2cqe n ALA 498 Cb 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 2cqe n ALA 498 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cqe h GLU 499 N 0.00 -0.31 -0.30 0.00 4.81 -0.80 -1.58 114.58 116.40 2cqe h GLU 499 Ca 0.38 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.70 2cqe h GLU 499 Cb 0.58 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 2cqe h GLU 499 CO -0.84 -0.21 -0.33 0.00 -0.73 0.00 0.00 179.01 176.91 2cqe h ALA 500 N 0.33 -0.26 -3.00 2.92 0.00 -0.43 -3.41 119.26 115.42 2cqe h ALA 500 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2cqe h ALA 500 Cb 0.58 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2cqe h ALA 500 CO -0.62 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.29 2cqe n GLY 501 N -1.41 0.85 3.64 0.00 0.00 -0.61 -5.11 105.19 102.55 2cqe n GLY 501 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.94 -2.22 -0.29 4.61 0.00 -1.12 -5.01 121.76 113.79 2cqe s ALA 502 Ca 0.00 2.22 0.03 0.00 0.00 0.00 0.00 51.96 54.22 2cqe s ALA 502 Cb 0.00 -1.67 0.08 0.00 0.00 0.00 0.00 23.12 21.53 2cqe s ALA 502 CO 0.00 -0.35 -0.04 -2.00 0.00 0.00 0.00 175.76 173.37 2cqe s GLU 503 N 1.34 1.88 0.53 0.00 2.56 -1.26 -5.08 118.70 118.68 2cqe s GLU 503 Ca -0.09 -1.55 0.07 0.00 0.00 0.00 0.00 54.97 53.40 2cqe s GLU 503 Cb -0.04 -2.99 0.06 0.00 2.00 0.00 0.00 34.13 33.16 2cqe s GLU 503 CO -0.15 -0.73 0.73 0.16 -0.56 0.00 0.00 175.26 174.71 2cqe s ASP 504 N 1.04 5.23 0.36 -1.70 1.47 -1.26 -5.14 116.67 116.67 2cqe s ASP 504 Ca -0.00 -0.55 0.04 0.00 1.18 0.00 0.00 52.55 53.22 2cqe s ASP 504 Cb -0.19 -0.21 -0.03 0.00 -0.34 0.00 0.00 42.92 42.14 2cqe s ASP 504 CO -0.07 -1.17 0.15 -1.61 0.68 0.00 0.00 175.17 173.15 2cqe s GLU 505 N -4.62 1.78 -0.25 2.11 2.02 -1.26 -5.17 118.70 113.31 2cqe s GLU 505 Ca 0.59 -2.05 -0.17 0.00 0.02 0.00 0.00 54.97 53.36 2cqe s GLU 505 Cb -0.08 -0.35 0.07 0.00 0.10 0.00 0.00 34.13 33.88 2cqe s GLU 505 CO 0.37 -0.47 0.64 0.21 0.02 0.00 0.00 175.26 176.03 2cqe s LYS 506 N -3.73 0.68 -0.22 1.61 2.20 -1.26 -5.14 119.74 113.88 2cqe s LYS 506 Ca 0.31 1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 56.93 2cqe s LYS 506 Cb 0.04 0.20 0.11 0.00 -1.51 0.00 0.00 37.83 36.66 2cqe s LYS 506 CO 0.17 -0.13 0.26 -2.00 -0.36 0.00 0.00 175.35 173.30 2cqe s GLU 507 N 1.13 0.24 -0.91 4.03 2.56 -1.26 -5.09 118.70 119.40 2cqe s GLU 507 Ca -0.06 0.26 -0.24 0.00 0.00 0.00 0.00 54.97 54.93 2cqe s GLU 507 Cb -0.05 -1.00 0.01 0.00 2.00 0.00 0.00 34.13 35.08 2cqe s GLU 507 CO -0.11 -0.67 1.62 0.14 -0.56 0.00 0.00 175.26 175.68 2cqe s VAL 508 N 2.38 3.69 0.60 3.70 -7.23 -1.26 -4.97 120.40 117.31 2cqe s VAL 508 Ca 0.08 -0.39 -0.18 0.00 -1.81 0.00 0.00 61.98 59.68 2cqe s VAL 508 Cb -0.16 -4.60 -0.06 0.00 0.56 0.00 0.00 36.38 32.13 2cqe s VAL 508 CO -0.14 -1.52 0.84 -0.62 -0.31 0.00 0.00 175.10 173.35 2cqe n GLU 509 N 8.97 0.77 -1.59 4.82 4.71 -1.26 -4.98 120.64 132.08 2cqe n GLU 509 Ca 0.30 0.30 -0.29 0.00 -0.01 0.00 0.00 57.16 57.46 2cqe n GLU 509 Cb 0.50 -2.04 0.17 0.00 -1.01 0.00 0.00 31.44 29.06 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 -2.60 0.53 -0.38 3.49 2.02 -1.26 -5.00 118.70 115.50 2cqe s GLU 510 Ca 0.74 -0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.76 2cqe s GLU 510 Cb -0.42 -1.80 0.45 0.00 0.10 0.00 0.00 34.13 32.46 2cqe s GLU 510 CO 0.49 -2.55 1.31 1.47 0.02 0.00 0.00 175.26 176.00 2cqe n LEU 511 N -3.95 5.34 -3.83 1.80 -0.00 -1.26 -4.94 117.00 110.16 2cqe n LEU 511 Ca 0.11 -4.78 -0.31 0.00 -0.00 0.00 0.00 56.01 51.03 2cqe n LEU 511 Cb 0.59 -0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2cqe n LEU 511 CO 0.51 2.04 -0.17 0.29 -0.00 0.00 0.00 177.39 180.06 2cqe n LYS 512 N -0.69 -0.82 -1.08 1.47 5.02 -1.26 -4.68 118.16 116.12 2cqe n LYS 512 Ca 0.46 0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 56.48 2cqe n LYS 512 Cb 0.85 -3.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.43 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2cqe n LYS 513 N -3.32 0.00 -4.10 1.97 4.81 -1.26 -4.97 118.16 111.30 2cqe n LYS 513 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.35 2cqe n LYS 513 Cb 0.38 -0.78 -0.07 0.00 0.02 0.00 0.00 35.03 34.58 2cqe n LYS 513 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2cqe s SER 514 N -0.78 0.10 -0.04 3.14 0.01 -1.26 -5.17 113.70 109.71 2cqe s SER 514 Ca 0.50 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 2cqe s SER 514 Cb -0.71 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2cqe s SER 514 CO 0.44 -1.02 0.07 -0.83 0.41 0.00 0.00 173.24 172.31 2cqe s GLY 515 N -3.10 0.05 0.00 3.44 0.00 -1.26 -5.05 107.32 101.40 2cqe s GLY 515 Ca 0.31 0.44 -0.24 0.00 0.00 0.00 0.00 44.72 45.23 2cqe s GLY 515 CO 0.11 0.79 1.30 -0.56 0.00 0.00 0.00 173.10 174.74 2cqe h PRO 516 N 7.24 0.14 -6.12 2.90 0.13 -2.05 -3.47 132.00 130.77 2cqe h PRO 516 Ca -0.44 -0.07 -0.44 0.00 -0.87 0.00 0.00 66.00 64.17 2cqe h PRO 516 Cb 1.13 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.30 2cqe h PRO 516 CO 0.46 0.59 -0.74 0.45 -0.23 0.00 0.00 178.00 178.53 2cqe n SER 517 N -4.74 -4.90 -4.97 1.44 2.88 -1.26 -4.98 113.62 97.10 2cqe n SER 517 Ca -0.08 -0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 56.55 2cqe n SER 517 Cb 0.29 -4.30 0.04 0.00 -0.75 0.00 0.00 64.21 59.49 2cqe n SER 517 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqe s SER 518 N -3.44 5.31 0.00 -3.46 0.15 -1.26 -5.37 113.70 105.63 2cqe s SER 518 Ca 0.56 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2cqe s SER 518 Cb -0.27 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2cqe s SER 518 CO 0.79 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.72