#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 3.71 0.70 1.61 0.01 -1.26 -5.12 113.70 113.35 2cqe s SER 423 Ca 0.00 -1.13 -0.17 0.00 1.31 0.00 0.00 55.95 55.96 2cqe s SER 423 Cb 0.00 -1.09 -0.13 0.00 0.21 0.00 0.00 66.02 65.02 2cqe s SER 423 CO 0.00 -0.25 -0.20 -0.24 0.41 0.00 0.00 173.24 172.96 2cqe n SER 424 N 4.73 -3.88 0.00 2.44 2.88 -1.26 -4.89 113.62 113.64 2cqe n SER 424 Ca -0.11 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2cqe n SER 424 Cb 0.44 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2cqe n SER 424 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqe n GLY 425 N 2.63 3.51 3.73 0.46 0.00 -1.26 -4.97 105.19 109.29 2cqe n GLY 425 Ca 0.05 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2cqe n GLY 425 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqe n SER 426 N 0.00 -5.28 -4.75 1.61 2.88 -1.26 -4.98 113.62 101.84 2cqe n SER 426 Ca 0.00 -0.66 -0.24 0.00 -1.33 0.00 0.00 58.87 56.65 2cqe n SER 426 Cb 0.00 -4.53 0.09 0.00 -0.75 0.00 0.00 64.21 59.02 2cqe n SER 426 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqe s SER 427 N -3.42 4.55 0.00 -3.46 0.01 -1.26 -5.10 113.70 105.02 2cqe s SER 427 Ca 0.56 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2cqe s SER 427 Cb -0.26 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2cqe s SER 427 CO 0.78 -1.71 0.00 0.61 0.41 0.00 0.00 173.24 173.32 2cqe n GLY 428 N -2.80 2.88 3.75 3.44 0.00 -1.26 -5.17 105.19 106.03 2cqe n GLY 428 Ca 0.12 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.10 2.17 0.01 1.61 2.02 -1.26 -5.16 118.70 115.99 2cqe s GLU 429 Ca 0.00 -2.35 0.01 0.00 0.02 0.00 0.00 54.97 52.64 2cqe s GLU 429 Cb 0.00 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 2cqe s GLU 429 CO 0.00 -0.33 -0.04 -0.51 0.02 0.00 0.00 175.26 174.40 2cqe s LEU 430 N -3.87 2.11 0.00 1.80 1.43 -1.26 -5.16 118.68 113.72 2cqe s LEU 430 Ca 0.10 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2cqe s LEU 430 Cb 0.02 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.16 2cqe s LEU 430 CO 0.05 -0.09 0.00 -0.81 0.23 0.00 0.00 176.35 175.73 2cqe n PRO 431 N 2.37 -0.66 -1.94 1.29 -0.04 -1.26 -4.15 135.00 130.61 2cqe n PRO 431 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2cqe n PRO 431 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2cqe n PRO 431 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2cqe n LYS 432 N -1.24 -1.74 -1.35 0.54 4.76 -1.22 -4.80 118.16 113.09 2cqe n LYS 432 Ca 0.00 0.72 -0.52 0.00 -2.87 0.00 0.00 58.31 55.65 2cqe n LYS 432 Cb 0.00 -5.16 -0.06 0.00 -1.84 0.00 0.00 35.03 27.97 2cqe n LYS 432 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cqe n LYS 433 N -2.39 0.00 -2.07 1.97 5.02 0.49 -4.79 118.16 116.39 2cqe n LYS 433 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 2cqe n LYS 433 Cb 0.54 -1.26 -0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2cqe n LYS 433 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2cqe n ARG 434 N 1.26 4.17 -3.96 1.97 3.00 -1.26 -3.89 116.66 117.95 2cqe n ARG 434 Ca 0.18 -3.39 -0.12 0.00 -0.00 0.00 0.00 57.85 54.52 2cqe n ARG 434 Cb 0.11 -2.76 -0.13 0.00 0.00 0.00 0.00 32.46 29.69 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2cqe s GLU 435 N -0.34 0.20 0.23 -0.14 2.56 -1.26 -4.94 118.70 115.01 2cqe s GLU 435 Ca 0.50 -0.28 -0.31 0.00 0.00 0.00 0.00 54.97 54.87 2cqe s GLU 435 Cb 0.15 -0.04 -0.11 0.00 2.00 0.00 0.00 34.13 36.13 2cqe s GLU 435 CO -0.06 0.00 1.60 -1.17 -0.56 0.00 0.00 175.26 175.08 2cqe s LEU 436 N -0.62 4.36 0.29 2.70 2.96 -1.26 -0.51 118.68 126.60 2cqe s LEU 436 Ca -0.06 2.81 -0.29 0.00 -0.22 0.00 0.00 54.13 56.37 2cqe s LEU 436 Cb -0.04 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.93 2cqe s LEU 436 CO -0.00 -0.88 1.34 0.00 -1.32 0.00 0.00 176.35 175.48 2cqe n LYS 438 N 1.50 0.24 -0.07 0.00 5.02 -1.26 -3.62 118.16 119.97 2cqe n LYS 438 Ca 0.03 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 2cqe n LYS 438 Cb 0.42 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.36 0.00 -0.33 2.13 3.01 -1.26 -4.57 117.46 115.07 2cqe n PHE 439 Ca 0.10 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.83 2cqe n PHE 439 Cb 0.24 -0.52 0.59 0.00 -0.01 0.00 0.00 39.48 39.78 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 -0.22 0.47 -1.46 1.38 3.20 -1.79 0.12 116.97 118.67 2cqe h TYR 440 Ca -0.33 0.02 0.44 0.00 3.14 0.00 0.00 58.73 62.00 2cqe h TYR 440 Cb 1.41 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.45 2cqe h TYR 440 CO -0.01 0.02 1.01 0.82 -1.64 0.00 0.00 178.16 178.36 2cqe h ILE 441 N 0.26 0.19 0.00 1.81 2.04 -1.80 0.17 117.51 120.18 2cqe h ILE 441 Ca 0.61 -0.02 -0.37 0.00 1.00 0.00 0.00 64.86 66.07 2cqe h ILE 441 Cb 1.80 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 2cqe h ILE 441 CO -0.23 0.01 -2.39 0.35 0.00 0.00 0.00 178.15 175.89 2cqe n THR 442 N -4.35 1.44 0.00 -0.27 -2.24 0.40 -5.01 114.28 104.26 2cqe n THR 442 Ca 0.36 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2cqe n THR 442 Cb 1.52 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.93 1.41 3.31 3.38 0.00 0.61 -5.07 105.19 110.76 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 -2.01 3.31 -0.19 1.61 2.19 -1.25 -4.92 117.98 116.72 2cqe s PHE 444 Ca 0.00 -1.40 -0.04 0.00 0.33 0.00 0.00 56.93 55.83 2cqe s PHE 444 Cb 0.00 -3.78 0.06 0.00 -1.31 0.00 0.00 43.02 37.99 2cqe s PHE 444 CO 0.00 -1.02 0.06 0.00 1.83 0.00 0.00 175.22 176.09 2cqe n ALA 446 N 5.13 -0.57 -2.59 0.00 0.00 -1.26 -3.76 120.51 117.46 2cqe n ALA 446 Ca -0.08 0.85 -0.42 0.00 0.00 0.00 0.00 53.44 53.78 2cqe n ALA 446 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.54 3.55 0.00 0.00 0.52 -1.26 -4.92 118.95 111.30 2cqe s ARG 447 Ca -0.12 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 2cqe s ARG 447 Cb 0.12 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2cqe s ARG 447 CO 0.62 -1.59 0.00 0.00 0.02 0.00 0.00 175.30 174.35 2cqe n ALA 448 N 8.22 0.00 0.97 2.13 0.00 -1.25 -3.76 120.51 126.82 2cqe n ALA 448 Ca 0.09 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2cqe n ALA 448 Cb 0.49 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.45 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 0.02 -0.66 0.00 2.13 -1.26 -3.22 120.64 116.70 2cqe n GLU 449 Ca 0.00 0.02 0.09 0.00 0.66 0.00 0.00 57.16 57.92 2cqe n GLU 449 Cb 0.00 -1.52 0.36 0.00 0.27 0.00 0.00 31.44 30.55 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 -1.56 4.88 -4.61 4.31 3.02 -1.26 -4.91 115.26 115.13 2cqe n ASN 450 Ca 0.06 -2.51 -0.43 0.00 -0.03 0.00 0.00 54.58 51.67 2cqe n ASN 450 Cb 0.35 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 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 7.54 0.49 -2.41 0.00 -0.04 -1.26 -4.74 135.00 134.58 2cqe n PRO 452 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2cqe n PRO 452 Cb 0.48 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.84 -1.76 -3.88 0.54 4.02 -1.25 0.18 117.16 114.17 2cqe n TYR 453 Ca 0.08 -1.18 -0.36 0.00 -0.01 0.00 0.00 57.90 56.43 2cqe n TYR 453 Cb 0.04 -0.26 -0.07 0.00 -0.02 0.00 0.00 39.34 39.02 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 -3.28 3.65 0.00 -0.72 -1.94 0.33 -4.88 119.30 112.47 2cqe s MET 454 Ca 0.24 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 2cqe s MET 454 Cb -0.02 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2cqe s MET 454 CO 0.15 0.61 0.00 0.72 -0.01 0.00 0.00 175.02 176.49 2cqe n HIS 455 N 2.53 0.00 -0.02 -0.03 8.25 -1.26 -2.79 115.22 121.89 2cqe n HIS 455 Ca -0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.27 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 -0.01 -0.67 -1.41 0.00 -1.95 -3.35 103.07 95.67 2cqe h GLY 456 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.51 2cqe h GLY 456 CO 0.00 -0.00 -0.02 1.22 0.00 0.00 0.00 176.54 177.73 2cqe n ASP 457 N -3.31 -0.11 -4.54 0.19 9.92 -1.26 -3.41 116.55 114.04 2cqe n ASP 457 Ca -0.00 1.14 -0.56 0.00 -0.53 0.00 0.00 54.79 54.85 2cqe n ASP 457 Cb 0.00 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.01 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2cqe n PHE 458 N -4.94 0.98 -2.26 1.24 7.35 -1.26 -4.68 117.46 113.90 2cqe n PHE 458 Ca 0.15 0.88 -0.37 0.00 -0.76 0.00 0.00 57.45 57.35 2cqe n PHE 458 Cb 0.48 -2.19 -0.01 0.00 0.35 0.00 0.00 39.48 38.11 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 0.16 3.78 0.45 -7.13 0.04 -1.26 -3.35 135.00 127.68 2cqe s PRO 459 Ca 0.87 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.46 2cqe s PRO 459 Cb -1.13 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 30.91 2cqe s PRO 459 CO 0.53 -0.54 1.16 0.00 0.04 0.00 0.00 177.00 178.19 2cqe h LYS 461 N 2.13 -0.01 -0.46 0.00 3.64 -1.94 -3.34 116.57 116.59 2cqe h LYS 461 Ca -0.49 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2cqe h LYS 461 Cb 1.24 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 2cqe h LYS 461 CO 0.61 -0.01 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.15 2cqe h LEU 462 N -0.51 -1.87 -0.63 5.20 3.38 -1.94 0.71 115.31 119.65 2cqe h LEU 462 Ca -0.00 0.25 0.15 0.00 0.09 0.00 0.00 57.88 58.37 2cqe h LEU 462 Cb 0.01 0.77 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2cqe h LEU 462 CO 0.00 -0.39 1.07 0.22 0.09 0.00 0.00 178.44 179.43 2cqe h TYR 463 N -0.36 0.00 0.00 1.13 3.20 -1.69 0.27 116.97 119.52 2cqe h TYR 463 Ca 0.09 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.72 2cqe h TYR 463 Cb 0.58 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2cqe h TYR 463 CO -0.75 0.00 -1.77 0.72 -1.64 0.00 0.00 178.16 174.72 2cqe n HIS 464 N -2.91 0.00 -0.18 -3.82 8.25 0.21 -1.78 115.22 114.99 2cqe n HIS 464 Ca 0.11 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.73 2cqe n HIS 464 Cb 1.22 -0.74 0.29 0.00 1.12 0.00 0.00 29.99 31.87 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 -4.34 -0.23 0.00 1.59 -2.24 0.98 -2.67 114.28 107.36 2cqe n THR 465 Ca -0.34 1.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.60 2cqe n THR 465 Cb 0.70 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 -4.38 0.00 0.00 4.28 -2.24 -1.04 -5.07 114.28 105.84 2cqe n THR 466 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2cqe n THR 466 Cb 0.64 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.39 4.00 3.91 3.38 0.00 -0.73 -5.08 105.19 113.06 2cqe n GLY 467 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2cqe n GLY 467 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cqe s ASN 468 N -0.02 4.92 -0.05 1.61 -0.87 -1.22 -4.53 114.94 114.78 2cqe s ASN 468 Ca 0.00 -0.93 0.01 0.00 -1.57 0.00 0.00 52.86 50.37 2cqe s ASN 468 Cb 0.00 -0.09 0.02 0.00 -0.02 0.00 0.00 41.25 41.16 2cqe s ASN 468 CO 0.00 -0.92 -0.06 0.00 -2.57 0.00 0.00 177.10 173.55 2cqe h ILE 470 N 6.12 0.95 -0.83 0.00 6.09 -2.00 -3.17 117.51 124.67 2cqe h ILE 470 Ca -0.35 -1.58 0.18 0.00 -1.37 0.00 0.00 64.86 61.74 2cqe h ILE 470 Cb 1.16 1.95 -0.11 0.00 0.47 0.00 0.00 36.82 40.28 2cqe h ILE 470 CO 0.46 0.39 0.34 0.78 -3.07 0.00 0.00 178.15 177.05 2cqe h ASN 471 N 0.00 0.30 -4.02 2.19 4.21 -2.01 -3.48 115.58 112.77 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 0.91 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 2cqe h ASN 471 CO 0.05 0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.85 2cqe n GLY 472 N -1.34 0.85 0.09 2.83 0.00 -1.20 -4.83 105.19 101.60 2cqe n GLY 472 Ca 0.18 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.42 1.61 5.19 -1.92 -3.27 116.42 116.61 2cqe h ASP 473 Ca 0.00 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.70 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 0.83 0.90 0.47 -3.12 0.00 0.00 179.24 178.33 2cqe n ASP 474 N -3.47 7.55 -4.57 6.45 8.00 -1.26 -5.02 116.55 124.22 2cqe n ASP 474 Ca -0.00 -3.81 -0.41 0.00 0.71 0.00 0.00 54.79 51.27 2cqe n ASP 474 Cb 0.82 -1.00 0.01 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.33 0.00 -6.18 0.00 -0.00 -1.95 -3.43 114.93 104.70 2cqe h MET 476 Ca -0.43 0.00 -0.49 0.00 -0.00 0.00 0.00 59.70 58.78 2cqe h MET 476 Cb 1.35 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.92 2cqe h MET 476 CO 0.55 0.00 -0.48 -0.06 -0.00 0.00 0.00 176.91 176.92 2cqe s PHE 477 N -3.66 3.29 0.06 -0.10 0.08 -1.26 -4.83 117.98 111.56 2cqe s PHE 477 Ca -0.00 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 2cqe s PHE 477 Cb 0.09 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 2cqe s PHE 477 CO 0.39 0.48 0.96 -1.12 -0.10 0.00 0.00 175.22 175.84 2cqe s SER 478 N -3.83 7.43 -0.31 1.36 0.01 -1.21 -4.83 113.70 112.32 2cqe s SER 478 Ca 0.33 1.72 0.11 0.00 1.31 0.00 0.00 55.95 59.42 2cqe s SER 478 Cb -0.09 -2.58 0.76 0.00 0.21 0.00 0.00 66.02 64.32 2cqe s SER 478 CO 0.27 -0.16 1.79 1.41 0.41 0.00 0.00 173.24 176.96 2cqe n HIS 479 N 3.32 2.35 -0.95 2.43 8.25 -1.26 -1.71 115.22 127.66 2cqe n HIS 479 Ca 0.04 -1.12 -0.31 0.00 -0.26 0.00 0.00 57.72 56.06 2cqe n HIS 479 Cb 0.50 -0.65 0.14 0.00 1.12 0.00 0.00 29.99 31.09 2cqe n HIS 479 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cqe s ASP 480 N -1.04 3.55 -0.33 0.41 1.01 -1.26 -4.91 116.67 114.11 2cqe s ASP 480 Ca 0.55 2.08 -0.29 0.00 0.71 0.00 0.00 52.55 55.60 2cqe s ASP 480 Cb 0.44 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 2cqe s ASP 480 CO 0.14 -2.68 1.68 -2.16 0.21 0.00 0.00 175.17 172.36 2cqe s PRO 481 N -4.67 3.47 0.03 8.23 0.04 -1.26 -4.92 135.00 135.92 2cqe s PRO 481 Ca 0.65 1.36 -0.38 0.00 0.04 0.00 0.00 61.00 62.68 2cqe s PRO 481 Cb -0.21 -4.13 -0.19 0.00 0.04 0.00 0.00 34.50 30.00 2cqe s PRO 481 CO 0.56 -1.69 0.99 1.28 0.04 0.00 0.00 177.00 178.18 2cqe n LEU 482 N 9.63 -0.16 -5.01 -3.56 4.77 -1.26 -4.95 117.00 116.46 2cqe n LEU 482 Ca 0.21 1.15 -0.17 0.00 -0.03 0.00 0.00 56.01 57.17 2cqe n LEU 482 Cb 0.47 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2cqe n LEU 482 CO 0.68 -2.05 0.16 0.42 -1.33 0.00 0.00 177.39 175.26 2cqe s THR 483 N -0.14 3.06 0.50 -5.08 -4.23 -1.26 -4.87 115.64 103.62 2cqe s THR 483 Ca 0.87 -0.98 0.20 0.00 -1.18 0.00 0.00 61.69 60.60 2cqe s THR 483 Cb -1.21 -3.03 0.35 0.00 1.34 0.00 0.00 72.50 69.95 2cqe s THR 483 CO 0.57 -0.01 2.02 1.05 -0.54 0.00 0.00 174.62 177.71 2cqe h GLU 484 N 0.63 0.11 0.00 3.99 4.11 -2.00 0.21 114.58 121.62 2cqe h GLU 484 Ca -0.41 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 2cqe h GLU 484 Cb 1.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2cqe h GLU 484 CO 0.46 0.07 -0.12 1.05 0.07 0.00 0.00 179.01 180.54 2cqe h GLU 485 N 0.11 0.00 -0.90 1.06 4.11 -2.01 -3.33 114.58 113.62 2cqe h GLU 485 Ca 0.21 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.75 2cqe h GLU 485 Cb 0.68 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2cqe h GLU 485 CO -0.02 0.45 0.58 1.79 0.07 0.00 0.00 179.01 181.88 2cqe h THR 486 N -1.00 0.92 -0.89 -1.06 1.35 -1.88 -1.27 112.91 109.08 2cqe h THR 486 Ca -0.02 -0.29 0.15 0.00 -0.55 0.00 0.00 66.41 65.70 2cqe h THR 486 Cb 0.51 0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 66.85 2cqe h THR 486 CO -0.01 0.15 0.49 -0.09 -0.25 0.00 0.00 175.52 175.81 2cqe h ARG 487 N 0.83 0.67 -0.23 4.72 1.12 -0.73 0.12 114.38 120.89 2cqe h ARG 487 Ca 0.43 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 59.19 2cqe h ARG 487 Cb 0.50 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2cqe h ARG 487 CO -0.19 0.44 -0.14 1.49 -3.11 0.00 0.00 179.97 178.46 2cqe h GLU 488 N 0.69 0.38 0.47 0.20 4.81 -1.34 -3.16 114.58 116.64 2cqe h GLU 488 Ca 0.49 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2cqe h GLU 488 Cb 0.68 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2cqe h GLU 488 CO -0.36 0.52 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.14 2cqe h LEU 489 N 0.36 -0.59 -0.83 1.64 3.38 -0.68 -2.93 115.31 115.66 2cqe h LEU 489 Ca 0.07 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2cqe h LEU 489 Cb 0.46 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2cqe h LEU 489 CO 0.03 -0.40 -0.50 -0.07 0.09 0.00 0.00 178.44 177.59 2cqe h LEU 490 N -0.66 -1.82 -1.00 1.67 3.38 -1.51 0.71 115.31 116.08 2cqe h LEU 490 Ca -0.06 0.28 0.38 0.00 0.09 0.00 0.00 57.88 58.56 2cqe h LEU 490 Cb 0.51 0.81 -0.18 0.00 0.09 0.00 0.00 40.66 41.88 2cqe h LEU 490 CO 0.10 -0.20 0.39 0.47 0.09 0.00 0.00 178.44 179.29 2cqe n ASP 491 N -4.90 0.21 0.07 -0.43 8.00 -1.20 0.20 116.55 118.51 2cqe n ASP 491 Ca 0.02 1.67 -0.09 0.00 0.71 0.00 0.00 54.79 57.10 2cqe n ASP 491 Cb 0.22 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.45 2cqe n ASP 491 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2cqe h LYS 492 N 0.00 0.06 0.80 -1.24 1.63 0.38 -3.31 116.57 114.89 2cqe h LYS 492 Ca 0.78 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.44 2cqe h LYS 492 Cb 1.95 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 33.63 2cqe h LYS 492 CO -0.82 1.04 -0.38 1.98 -3.45 0.00 0.00 179.45 177.82 2cqe h MET 493 N 0.02 -1.04 -0.89 1.90 4.05 0.66 0.11 114.93 119.73 2cqe h MET 493 Ca -0.04 0.07 0.23 0.00 -0.28 0.00 0.00 59.70 59.68 2cqe h MET 493 Cb 1.81 0.24 -0.16 0.00 -0.80 0.00 0.00 31.60 32.68 2cqe h MET 493 CO 0.14 -0.68 0.05 -0.07 0.23 0.00 0.00 176.91 176.58 2cqe h LEU 494 N -1.24 -0.37 0.19 3.39 4.07 -1.11 0.23 115.31 120.47 2cqe h LEU 494 Ca -0.11 0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2cqe h LEU 494 Cb 0.83 0.41 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2cqe h LEU 494 CO 0.18 -0.26 -0.09 0.00 -1.08 0.00 0.00 178.44 177.19 2cqe h ALA 495 N 1.86 -0.25 -1.01 1.53 0.00 -1.62 -2.75 119.26 117.01 2cqe h ALA 495 Ca 0.53 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.47 2cqe h ALA 495 Cb 1.03 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2cqe h ALA 495 CO -0.80 -0.42 0.63 0.22 0.00 0.00 0.00 179.25 178.88 2cqe h ASP 496 N -0.69 0.60 0.44 0.00 3.58 0.84 0.53 116.42 121.72 2cqe h ASP 496 Ca -0.03 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2cqe h ASP 496 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2cqe h ASP 496 CO 0.04 0.14 -0.21 -0.78 -2.88 0.00 0.00 179.24 175.55 2cqe h ASP 497 N 0.54 -0.50 0.39 2.28 3.58 -0.57 -2.87 116.42 119.27 2cqe h ASP 497 Ca 0.60 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.95 2cqe h ASP 497 Cb 1.26 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2cqe h ASP 497 CO -0.37 -0.20 -0.19 0.00 -2.88 0.00 0.00 179.24 175.60 2cqe h ALA 498 N -0.37 -0.81 -1.47 -0.78 0.00 -0.96 -3.07 119.26 111.80 2cqe h ALA 498 Ca -0.06 -0.11 0.44 0.00 0.00 0.00 0.00 54.91 55.18 2cqe h ALA 498 Cb 0.55 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2cqe h ALA 498 CO 0.10 -0.77 1.04 -0.85 0.00 0.00 0.00 179.25 178.76 2cqe n GLU 499 N -3.93 -0.01 -1.12 0.00 -0.00 0.18 0.21 120.64 115.97 2cqe n GLU 499 Ca -0.07 0.91 -0.17 0.00 -0.00 0.00 0.00 57.16 57.83 2cqe n GLU 499 Cb 0.21 -2.01 -0.08 0.00 -0.00 0.00 0.00 31.44 29.56 2cqe n GLU 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cqe n ALA 500 N -2.69 5.98 -2.45 -1.84 0.00 -1.08 -4.87 120.51 113.55 2cqe n ALA 500 Ca 0.35 -2.07 -0.01 0.00 0.00 0.00 0.00 53.44 51.71 2cqe n ALA 500 Cb 1.53 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.49 0.01 3.55 0.00 0.00 0.13 -4.57 105.19 105.80 2cqe n GLY 501 Ca 0.39 0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.92 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 1.02 0.74 -2.60 4.61 0.00 -1.20 -4.94 120.51 118.13 2cqe n ALA 502 Ca -0.00 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 2cqe n ALA 502 Cb 0.37 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 2cqe n ALA 502 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cqe s GLU 503 N 5.18 2.07 0.34 0.00 1.03 -1.26 -5.14 118.70 120.92 2cqe s GLU 503 Ca 1.04 -2.11 0.07 0.00 0.03 0.00 0.00 54.97 54.00 2cqe s GLU 503 Cb -0.88 -1.70 -0.07 0.00 -0.80 0.00 0.00 34.13 30.68 2cqe s GLU 503 CO 0.54 -0.15 -0.03 0.34 -1.33 0.00 0.00 175.26 174.63 2cqe s ASP 504 N -3.80 3.27 0.12 0.83 2.15 -1.26 -5.16 116.67 112.81 2cqe s ASP 504 Ca 0.30 -1.27 -0.04 0.00 0.43 0.00 0.00 52.55 51.97 2cqe s ASP 504 Cb 0.07 -0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2cqe s ASP 504 CO 0.16 -0.37 0.12 -1.61 -0.17 0.00 0.00 175.17 173.30 2cqe s GLU 505 N -3.71 0.91 0.20 4.34 0.41 -1.26 -5.18 118.70 114.41 2cqe s GLU 505 Ca 0.33 -1.24 -0.09 0.00 -0.41 0.00 0.00 54.97 53.56 2cqe s GLU 505 Cb 0.06 0.29 -0.01 0.00 -1.78 0.00 0.00 34.13 32.68 2cqe s GLU 505 CO 0.15 -0.28 0.33 0.15 -0.49 0.00 0.00 175.26 175.13 2cqe s LYS 506 N -3.97 1.32 -0.08 1.61 1.02 -1.26 -5.18 119.74 113.20 2cqe s LYS 506 Ca 0.16 -1.30 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 2cqe s LYS 506 Cb 0.06 0.39 0.08 0.00 -0.52 0.00 0.00 37.83 37.85 2cqe s LYS 506 CO -0.03 -0.50 0.76 -2.00 -0.92 0.00 0.00 175.35 172.65 2cqe s GLU 507 N -4.03 0.94 -0.09 1.68 2.12 -1.26 -5.16 118.70 112.91 2cqe s GLU 507 Ca 0.24 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.82 2cqe s GLU 507 Cb 0.03 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.88 2cqe s GLU 507 CO 0.06 -0.29 -0.09 0.08 -0.54 0.00 0.00 175.26 174.48 2cqe s VAL 508 N -1.13 1.00 0.70 3.70 1.01 -1.26 -5.14 120.40 119.28 2cqe s VAL 508 Ca -0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2cqe s VAL 508 Cb -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.44 2cqe s VAL 508 CO 0.08 0.35 1.04 -1.61 0.00 0.00 0.00 175.10 174.96 2cqe s GLU 509 N 1.21 2.46 0.19 2.72 8.01 -1.26 -5.09 118.70 126.94 2cqe s GLU 509 Ca -0.05 0.04 0.04 0.00 0.01 0.00 0.00 54.97 55.01 2cqe s GLU 509 Cb -0.14 -2.11 -0.03 0.00 -4.31 0.00 0.00 34.13 27.53 2cqe s GLU 509 CO -0.02 -1.15 0.30 -1.83 0.01 0.00 0.00 175.26 172.56 2cqe s GLU 510 N -5.28 3.37 -0.79 1.61 4.04 -1.26 -5.03 118.70 115.36 2cqe s GLU 510 Ca 0.59 -0.70 -0.01 0.00 0.04 0.00 0.00 54.97 54.88 2cqe s GLU 510 Cb -0.11 -2.89 0.36 0.00 0.02 0.00 0.00 34.13 31.51 2cqe s GLU 510 CO 0.47 0.48 1.88 1.47 -1.84 0.00 0.00 175.26 177.72 2cqe n LEU 511 N -0.88 7.08 -4.39 1.83 -0.00 -1.26 -4.87 117.00 114.51 2cqe n LEU 511 Ca -0.08 -4.92 -0.35 0.00 -0.00 0.00 0.00 56.01 50.66 2cqe n LEU 511 Cb 0.55 -0.98 -0.09 0.00 -0.00 0.00 0.00 43.42 42.91 2cqe n LEU 511 CO 0.47 1.84 -0.37 1.17 -0.00 0.00 0.00 177.39 180.51 2cqe n LYS 512 N -0.52 -0.92 -1.61 1.47 4.81 -1.26 -4.67 118.16 115.46 2cqe n LYS 512 Ca 0.51 0.11 -0.60 0.00 -0.87 0.00 0.00 58.31 57.47 2cqe n LYS 512 Cb 0.30 -3.99 -0.09 0.00 0.02 0.00 0.00 35.03 31.27 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2cqe n LYS 513 N -4.41 0.63 -3.62 1.64 0.00 -1.26 -4.89 118.16 106.25 2cqe n LYS 513 Ca -0.18 0.22 -0.05 0.00 0.00 0.00 0.00 58.31 58.30 2cqe n LYS 513 Cb 0.61 -1.89 -0.05 0.00 0.00 0.00 0.00 35.03 33.71 2cqe n LYS 513 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2cqe s SER 514 N 4.34 -0.17 -0.23 3.14 0.15 -1.26 -5.15 113.70 114.52 2cqe s SER 514 Ca 1.05 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.92 2cqe s SER 514 Cb -1.23 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2cqe s SER 514 CO 0.68 -0.14 -0.13 -0.83 1.20 0.00 0.00 173.24 174.02 2cqe s GLY 515 N -0.93 1.57 1.04 9.45 0.00 -1.26 -5.12 107.32 112.07 2cqe s GLY 515 Ca 0.05 -1.55 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 2cqe s GLY 515 CO -0.05 0.49 1.09 2.56 0.00 0.00 0.00 173.10 177.20 2cqe s PRO 516 N 1.20 0.10 0.35 2.90 0.04 -1.26 -5.09 135.00 133.24 2cqe s PRO 516 Ca -0.03 0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.29 2cqe s PRO 516 Cb -0.17 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.69 2cqe s PRO 516 CO -0.07 -2.93 0.68 -1.12 0.04 0.00 0.00 177.00 173.60 2cqe s SER 517 N -3.51 0.15 -1.23 6.66 0.01 -1.26 -4.96 113.70 109.56 2cqe s SER 517 Ca 0.66 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 2cqe s SER 517 Cb -0.18 0.77 0.01 0.00 0.21 0.00 0.00 66.02 66.83 2cqe s SER 517 CO 0.57 -1.50 1.06 -1.20 0.41 0.00 0.00 173.24 172.59 2cqe n SER 518 N -1.17 -5.11 0.00 2.44 7.64 -1.26 -5.37 113.62 110.80 2cqe n SER 518 Ca -0.05 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2cqe n SER 518 Cb 0.60 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 2cqe n SER 518 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64