#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 -0.26 -0.14 1.61 0.15 -1.26 -5.14 113.70 108.67 2cqe s SER 423 Ca 0.00 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.14 2cqe s SER 423 Cb 0.00 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2cqe s SER 423 CO 0.00 -0.14 0.01 -0.44 1.20 0.00 0.00 173.24 173.87 2cqe s SER 424 N 0.86 2.31 -0.28 5.45 0.01 -1.26 -5.12 113.70 115.67 2cqe s SER 424 Ca -0.06 -0.47 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 2cqe s SER 424 Cb -0.07 -0.58 0.09 0.00 0.21 0.00 0.00 66.02 65.67 2cqe s SER 424 CO -0.05 -0.24 0.80 -0.83 0.41 0.00 0.00 173.24 173.33 2cqe s GLY 425 N 1.87 -0.44 0.21 3.44 0.00 -1.26 -5.18 107.32 105.97 2cqe s GLY 425 Ca 0.02 2.33 -0.23 0.00 0.00 0.00 0.00 44.72 46.84 2cqe s GLY 425 CO -0.07 1.96 0.76 -1.35 0.00 0.00 0.00 173.10 174.40 2cqe s SER 426 N 0.66 -0.31 -0.04 1.64 1.04 -1.26 -5.19 113.70 110.25 2cqe s SER 426 Ca -0.02 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.71 2cqe s SER 426 Cb -0.05 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.80 2cqe s SER 426 CO -0.06 -1.14 0.82 -0.55 0.98 0.00 0.00 173.24 173.29 2cqe s SER 427 N -2.87 -0.48 0.00 7.02 0.15 -1.26 -5.12 113.70 111.14 2cqe s SER 427 Ca 0.09 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2cqe s SER 427 Cb -0.04 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2cqe s SER 427 CO 0.01 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2cqe n GLY 428 N 0.36 -2.08 3.85 9.45 0.00 -1.26 -5.17 105.19 110.33 2cqe n GLY 428 Ca -0.13 1.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.60 2cqe n GLY 428 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cqe s GLU 429 N 0.00 2.82 -0.12 1.61 -1.05 -1.26 -5.09 118.70 115.61 2cqe s GLU 429 Ca 0.00 0.68 -0.12 0.00 -0.15 0.00 0.00 54.97 55.38 2cqe s GLU 429 Cb 0.00 -2.00 0.03 0.00 -0.44 0.00 0.00 34.13 31.72 2cqe s GLU 429 CO 0.00 -1.11 0.33 -0.51 0.95 0.00 0.00 175.26 174.92 2cqe s LEU 430 N -5.48 0.76 -1.14 1.83 1.43 -1.26 -5.08 118.68 109.74 2cqe s LEU 430 Ca 0.58 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 2cqe s LEU 430 Cb -0.13 1.13 -0.08 0.00 0.03 0.00 0.00 46.19 47.14 2cqe s LEU 430 CO 0.54 -0.13 1.94 -2.16 0.23 0.00 0.00 176.35 176.76 2cqe s PRO 431 N 0.09 2.50 0.33 1.29 0.04 -1.26 -4.84 135.00 133.16 2cqe s PRO 431 Ca -0.01 -1.04 -0.09 0.00 0.04 0.00 0.00 61.00 59.91 2cqe s PRO 431 Cb -0.02 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 29.31 2cqe s PRO 431 CO 0.01 -3.90 0.57 0.15 0.04 0.00 0.00 177.00 173.86 2cqe s LYS 432 N 6.55 1.92 -0.01 4.56 -0.14 -1.26 -4.99 119.74 126.38 2cqe s LYS 432 Ca 0.69 -1.55 0.07 0.00 -1.36 0.00 0.00 55.97 53.82 2cqe s LYS 432 Cb -0.02 0.50 -0.11 0.00 -1.68 0.00 0.00 37.83 36.53 2cqe s LYS 432 CO 0.11 -0.83 0.17 1.63 -0.76 0.00 0.00 175.35 175.67 2cqe n LYS 433 N -0.52 0.78 -3.45 1.68 5.02 0.01 -5.01 118.16 116.67 2cqe n LYS 433 Ca -0.02 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 2cqe n LYS 433 Cb 0.61 -1.13 0.06 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.68 -6.62 -3.82 1.97 3.00 -1.26 -4.99 116.66 103.26 2cqe n ARG 434 Ca -0.01 0.82 -0.13 0.00 -0.01 0.00 0.00 57.85 58.51 2cqe n ARG 434 Cb 0.18 -5.79 -0.15 0.00 0.00 0.00 0.00 32.46 26.70 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 -6.16 -0.02 -0.04 5.56 0.41 -1.26 -4.95 118.70 112.25 2cqe s GLU 435 Ca 0.50 0.09 -0.29 0.00 -0.41 0.00 0.00 54.97 54.86 2cqe s GLU 435 Cb -0.23 -0.12 -0.08 0.00 -1.78 0.00 0.00 34.13 31.92 2cqe s GLU 435 CO 0.62 -0.08 2.01 -1.17 -0.49 0.00 0.00 175.26 176.16 2cqe s LEU 436 N 0.53 4.17 0.13 1.80 2.96 -1.26 -2.72 118.68 124.28 2cqe s LEU 436 Ca -0.04 2.44 -0.32 0.00 -0.22 0.00 0.00 54.13 55.99 2cqe s LEU 436 Cb -0.06 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.99 2cqe s LEU 436 CO -0.01 -1.28 1.79 0.00 -1.32 0.00 0.00 176.35 175.52 2cqe n LYS 438 N 5.11 1.10 0.00 0.00 0.00 -1.26 -3.48 118.16 119.63 2cqe n LYS 438 Ca 0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2cqe n LYS 438 Cb 0.35 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2cqe n PHE 439 N 0.36 0.00 0.28 5.58 3.72 -1.26 -4.80 117.46 121.34 2cqe n PHE 439 Ca 0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.60 2cqe n PHE 439 Cb 0.55 0.08 0.77 0.00 -0.94 0.00 0.00 39.48 39.94 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 0.00 0.00 -0.80 1.38 3.20 -1.71 -2.74 116.97 116.30 2cqe h TYR 440 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 2cqe h TYR 440 Cb 0.27 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2cqe h TYR 440 CO 0.00 0.06 0.55 0.82 -1.64 0.00 0.00 178.16 177.95 2cqe h ILE 441 N 0.00 0.69 -0.43 1.81 2.04 -1.87 0.24 117.51 119.99 2cqe h ILE 441 Ca -0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2cqe h ILE 441 Cb 0.40 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2cqe h ILE 441 CO 0.01 0.04 0.00 0.35 0.00 0.00 0.00 178.15 178.55 2cqe n THR 442 N -4.43 1.18 -0.12 -0.27 -2.24 -1.05 -4.94 114.28 102.42 2cqe n THR 442 Ca 0.16 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2cqe n THR 442 Cb 0.70 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.65 2.28 3.31 3.38 0.00 0.83 -4.95 105.19 110.70 2cqe n GLY 443 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.76 3.25 -0.10 1.61 5.36 -1.08 -4.91 117.98 119.36 2cqe s PHE 444 Ca 0.00 -1.30 -0.02 0.00 -0.96 0.00 0.00 56.93 54.65 2cqe s PHE 444 Cb 0.00 -3.81 0.04 0.00 -0.34 0.00 0.00 43.02 38.90 2cqe s PHE 444 CO 0.00 -1.04 0.02 0.00 -1.46 0.00 0.00 175.22 172.75 2cqe h ALA 446 N 8.33 -0.38 -2.11 0.00 0.00 -1.95 -3.36 119.26 119.81 2cqe h ALA 446 Ca -0.18 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 2cqe h ALA 446 Cb 1.13 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 2cqe h ALA 446 CO 0.26 -0.45 0.49 1.03 0.00 0.00 0.00 179.25 180.59 2cqe s ARG 447 N -3.63 3.80 0.00 0.00 0.52 -1.26 -4.96 118.95 113.41 2cqe s ARG 447 Ca -0.03 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 2cqe s ARG 447 Cb 0.02 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2cqe s ARG 447 CO 0.15 -0.90 0.00 0.00 0.02 0.00 0.00 175.30 174.57 2cqe n ALA 448 N 6.59 0.00 1.69 2.13 0.00 -1.26 -3.56 120.51 126.11 2cqe n ALA 448 Ca 0.05 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2cqe n ALA 448 Cb 0.48 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.74 2cqe n ALA 448 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cqe n GLU 449 N -1.15 0.81 -0.35 0.00 -0.58 -1.26 -3.02 120.64 115.09 2cqe n GLU 449 Ca 0.00 -0.10 0.08 0.00 -0.42 0.00 0.00 57.16 56.72 2cqe n GLU 449 Cb 0.00 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.63 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2cqe n ASN 450 N -1.01 3.72 -4.60 1.62 4.13 -1.26 -4.94 115.26 112.92 2cqe n ASN 450 Ca 0.19 -2.20 -0.43 0.00 1.68 0.00 0.00 54.58 53.83 2cqe n ASN 450 Cb 0.19 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 38.00 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cqe n PRO 452 N 7.56 0.49 -2.03 0.00 -0.04 -1.26 -4.74 135.00 134.97 2cqe n PRO 452 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2cqe n PRO 452 Cb 0.49 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.96 -2.59 -3.92 0.54 4.02 -1.26 -0.81 117.16 112.18 2cqe n TYR 453 Ca 0.11 -1.09 -0.35 0.00 -0.01 0.00 0.00 57.90 56.56 2cqe n TYR 453 Cb 0.05 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.03 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 -3.35 3.40 0.00 -0.72 -1.94 -1.10 -4.85 119.30 110.74 2cqe s MET 454 Ca 0.31 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 2cqe s MET 454 Cb -0.02 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.70 2cqe s MET 454 CO 0.20 0.72 0.00 0.72 -0.01 0.00 0.00 175.02 176.65 2cqe n HIS 455 N 1.48 0.00 -0.00 -0.03 8.25 -1.26 -3.40 115.22 120.26 2cqe n HIS 455 Ca -0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2cqe n HIS 455 Cb 0.54 0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.55 -1.41 0.00 -1.96 -3.35 103.07 95.80 2cqe h GLY 456 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 2cqe h GLY 456 CO 0.00 -0.00 0.24 1.34 0.00 0.00 0.00 176.54 178.12 2cqe n ASP 457 N -2.16 0.14 -4.64 0.19 2.03 -1.26 -3.32 116.55 107.54 2cqe n ASP 457 Ca -0.00 0.92 -0.55 0.00 0.52 0.00 0.00 54.79 55.68 2cqe n ASP 457 Cb 0.00 -0.43 -0.07 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.33 1.98 -2.20 -0.67 7.35 -1.26 -4.70 117.46 113.64 2cqe n PHE 458 Ca 0.19 0.42 -0.42 0.00 -0.76 0.00 0.00 57.45 56.88 2cqe n PHE 458 Cb 0.66 -2.50 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 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 4.24 4.33 0.25 -7.13 0.04 -1.26 -2.69 135.00 132.78 2cqe s PRO 459 Ca 1.01 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.78 2cqe s PRO 459 Cb -0.99 -3.30 -0.15 0.00 0.04 0.00 0.00 34.50 30.11 2cqe s PRO 459 CO 0.61 -0.43 1.05 0.00 0.04 0.00 0.00 177.00 178.26 2cqe h LYS 461 N 2.44 -0.12 -0.53 0.00 3.64 -1.92 -3.31 116.57 116.77 2cqe h LYS 461 Ca -0.40 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 2cqe h LYS 461 Cb 1.34 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 2cqe h LYS 461 CO 0.64 -0.08 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.15 2cqe h LEU 462 N -0.34 -1.76 -0.90 5.20 3.38 -1.92 0.69 115.31 119.66 2cqe h LEU 462 Ca -0.01 0.25 0.26 0.00 0.09 0.00 0.00 57.88 58.47 2cqe h LEU 462 Cb 0.10 0.75 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2cqe h LEU 462 CO 0.02 -0.36 1.18 0.00 0.09 0.00 0.00 178.44 179.37 2cqe n TYR 463 N -5.38 0.00 -0.12 1.13 9.36 -1.08 -0.59 117.16 120.48 2cqe n TYR 463 Ca -0.01 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.99 2cqe n TYR 463 Cb 0.34 -0.22 -0.07 0.00 -0.63 0.00 0.00 39.34 38.75 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 -3.12 0.00 -0.16 2.98 8.25 0.20 -2.05 115.22 121.32 2cqe n HIS 464 Ca 0.20 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.79 2cqe n HIS 464 Cb 1.45 -0.81 0.24 0.00 1.12 0.00 0.00 29.99 31.99 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 -4.27 -0.20 0.00 1.59 -2.24 0.91 -2.53 114.28 107.53 2cqe n THR 465 Ca -0.40 1.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 2cqe n THR 465 Cb 0.76 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -4.23 0.00 0.00 4.28 -2.24 -1.07 -5.07 114.28 105.95 2cqe n THR 466 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2cqe n THR 466 Cb 0.54 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 2.80 3.37 3.73 3.38 0.00 -0.87 -5.09 105.19 112.50 2cqe n GLY 467 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 4.43 -0.05 1.61 4.22 -1.12 -4.51 114.94 119.52 2cqe s ASN 468 Ca 0.00 -1.04 0.03 0.00 -2.14 0.00 0.00 52.86 49.72 2cqe s ASN 468 Cb 0.00 -0.51 -0.03 0.00 1.28 0.00 0.00 41.25 41.99 2cqe s ASN 468 CO 0.00 -0.49 -0.13 0.00 -2.04 0.00 0.00 177.10 174.45 2cqe h ILE 470 N 4.28 1.50 0.02 0.00 6.09 -2.01 -3.34 117.51 124.05 2cqe h ILE 470 Ca -0.47 -2.73 0.01 0.00 -1.37 0.00 0.00 64.86 60.30 2cqe h ILE 470 Cb 1.16 2.57 -0.02 0.00 0.47 0.00 0.00 36.82 40.99 2cqe h ILE 470 CO 0.51 0.80 -0.24 0.78 -3.07 0.00 0.00 178.15 176.92 2cqe h ASN 471 N 0.11 -0.75 -1.23 2.19 2.35 -2.00 -3.49 115.58 112.77 2cqe h ASN 471 Ca -0.06 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2cqe h ASN 471 Cb 1.61 0.28 0.00 0.00 0.05 0.00 0.00 38.32 40.26 2cqe h ASN 471 CO 0.15 -0.25 0.00 0.61 -1.65 0.00 0.00 177.43 176.29 2cqe n GLY 472 N -1.22 0.44 0.22 2.83 0.00 -1.26 -4.88 105.19 101.33 2cqe n GLY 472 Ca -0.04 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 -1.87 1.61 3.04 -1.94 -3.23 116.42 114.03 2cqe h ASP 473 Ca 0.00 0.00 -0.75 0.00 -3.24 0.00 0.00 57.03 53.04 2cqe h ASP 473 Cb 0.00 0.00 -0.27 0.00 -1.04 0.00 0.00 39.33 38.02 2cqe h ASP 473 CO 0.00 0.19 1.03 -0.90 -2.04 0.00 0.00 179.24 177.52 2cqe n ASP 474 N -3.25 7.53 -4.76 4.15 5.75 -1.26 -5.00 116.55 119.71 2cqe n ASP 474 Ca 0.01 -3.82 -0.39 0.00 -0.01 0.00 0.00 54.79 50.58 2cqe n ASP 474 Cb 0.47 -1.06 -0.06 0.00 -1.03 0.00 0.00 41.12 39.44 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqe n MET 476 N 1.18 1.13 -4.16 0.00 0.00 -1.26 -4.79 117.12 109.21 2cqe n MET 476 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 57.70 57.40 2cqe n MET 476 Cb 0.48 -1.26 -0.10 0.00 0.00 0.00 0.00 33.22 32.33 2cqe n MET 476 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2cqe s PHE 477 N -0.56 0.95 0.13 3.17 0.08 -1.26 -4.77 117.98 115.72 2cqe s PHE 477 Ca 0.03 -0.76 -0.30 0.00 0.12 0.00 0.00 56.93 56.02 2cqe s PHE 477 Cb 0.03 -0.53 -0.06 0.00 -0.57 0.00 0.00 43.02 41.88 2cqe s PHE 477 CO 0.01 -0.07 0.95 -1.54 -0.10 0.00 0.00 175.22 174.47 2cqe s SER 478 N -2.68 7.52 -0.29 1.36 1.04 -1.09 -4.76 113.70 114.80 2cqe s SER 478 Ca 0.07 1.81 0.10 0.00 0.48 0.00 0.00 55.95 58.41 2cqe s SER 478 Cb 0.00 -2.59 0.53 0.00 0.10 0.00 0.00 66.02 64.06 2cqe s SER 478 CO -0.02 -0.03 1.50 1.41 0.98 0.00 0.00 173.24 177.08 2cqe n HIS 479 N 2.58 1.23 -1.53 5.02 8.25 -1.26 -0.22 115.22 129.30 2cqe n HIS 479 Ca 0.02 -1.51 -0.30 0.00 -0.26 0.00 0.00 57.72 55.67 2cqe n HIS 479 Cb 0.49 -0.50 0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.33 4.67 -0.09 0.41 1.01 -1.26 -4.97 116.67 114.10 2cqe s ASP 480 Ca 0.45 1.42 -0.30 0.00 0.71 0.00 0.00 52.55 54.84 2cqe s ASP 480 Cb 0.40 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 2cqe s ASP 480 CO 0.02 -1.87 1.52 -2.16 0.21 0.00 0.00 175.17 172.89 2cqe s PRO 481 N -5.10 4.20 0.32 8.23 0.04 -1.26 -4.94 135.00 136.49 2cqe s PRO 481 Ca 0.60 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 2cqe s PRO 481 Cb -0.15 -3.91 -0.16 0.00 0.04 0.00 0.00 34.50 30.33 2cqe s PRO 481 CO 0.55 -0.80 0.33 1.28 0.04 0.00 0.00 177.00 178.40 2cqe n LEU 482 N 6.93 -1.82 -4.31 -3.56 4.77 -1.26 -4.98 117.00 112.77 2cqe n LEU 482 Ca 0.16 0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 56.90 2cqe n LEU 482 Cb 0.43 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.47 2cqe n LEU 482 CO 0.60 -3.51 -0.46 0.42 -1.33 0.00 0.00 177.39 173.10 2cqe s THR 483 N -1.37 1.67 0.48 -5.08 -4.23 -1.26 -4.90 115.64 100.94 2cqe s THR 483 Ca 0.61 -1.93 0.38 0.00 -1.18 0.00 0.00 61.69 59.58 2cqe s THR 483 Cb -0.75 -1.80 0.58 0.00 1.34 0.00 0.00 72.50 71.87 2cqe s THR 483 CO 0.60 -0.40 1.56 -1.84 -0.54 0.00 0.00 174.62 174.00 2cqe n GLU 484 N 0.21 -0.02 0.00 3.99 0.28 -1.26 0.38 120.64 124.21 2cqe n GLU 484 Ca -0.13 1.20 0.00 0.00 -0.16 0.00 0.00 57.16 58.07 2cqe n GLU 484 Cb 0.58 -2.49 0.00 0.00 1.43 0.00 0.00 31.44 30.96 2cqe n GLU 484 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqe n GLU 485 N -4.46 0.00 -0.25 3.44 1.02 -1.26 -3.70 120.64 115.43 2cqe n GLU 485 Ca 0.42 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.82 2cqe n GLU 485 Cb 1.72 -0.83 0.08 0.00 -0.02 0.00 0.00 31.44 32.39 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2cqe h THR 486 N 0.00 0.25 -0.95 2.62 1.35 -1.80 0.18 112.91 114.55 2cqe h THR 486 Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.06 2cqe h THR 486 Cb 0.00 0.25 -0.18 0.00 -1.73 0.00 0.00 68.15 66.49 2cqe h THR 486 CO 0.00 0.00 -0.21 -1.14 -0.25 0.00 0.00 175.52 173.92 2cqe n ARG 487 N -5.49 -0.08 -0.24 4.72 0.00 0.16 0.11 116.66 115.84 2cqe n ARG 487 Ca 0.09 1.48 0.04 0.00 -0.00 0.00 0.00 57.85 59.47 2cqe n ARG 487 Cb 0.38 -2.22 0.17 0.00 0.00 0.00 0.00 32.46 30.78 2cqe n ARG 487 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2cqe h GLU 488 N 0.00 0.34 -0.10 -0.14 4.81 -1.03 -2.55 114.58 115.91 2cqe h GLU 488 Ca 0.47 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 2cqe h GLU 488 Cb 0.75 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2cqe h GLU 488 CO -0.97 0.22 -0.32 -0.07 -0.73 0.00 0.00 179.01 177.14 2cqe h LEU 489 N 0.35 -1.04 -0.99 1.64 3.38 0.76 -2.00 115.31 117.41 2cqe h LEU 489 Ca 0.39 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.65 2cqe h LEU 489 Cb 0.62 0.41 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 2cqe h LEU 489 CO -0.44 -0.28 -0.37 0.18 0.09 0.00 0.00 178.44 177.62 2cqe n LEU 490 N -4.26 -0.62 -0.26 1.67 4.77 -0.97 0.56 117.00 117.88 2cqe n LEU 490 Ca -0.03 1.73 0.06 0.00 -0.03 0.00 0.00 56.01 57.73 2cqe n LEU 490 Cb 0.22 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.08 2cqe n LEU 490 CO 0.04 -1.56 0.83 0.44 -1.33 0.00 0.00 177.39 175.82 2cqe h ASP 491 N 0.00 -0.32 0.25 -1.43 5.19 -1.24 0.34 116.42 119.21 2cqe h ASP 491 Ca 0.36 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.95 2cqe h ASP 491 Cb 0.60 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2cqe h ASP 491 CO -0.99 -0.18 -0.12 0.50 -3.12 0.00 0.00 179.24 175.33 2cqe h LYS 492 N 0.11 -0.32 -0.20 3.56 1.63 0.50 -2.50 116.57 119.35 2cqe h LYS 492 Ca 0.43 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.28 2cqe h LYS 492 Cb 0.77 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.43 2cqe h LYS 492 CO -0.67 -0.06 -0.32 1.98 -3.45 0.00 0.00 179.45 176.92 2cqe h MET 493 N -1.02 -0.24 -0.28 1.90 4.05 0.11 0.23 114.93 119.67 2cqe h MET 493 Ca -0.03 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 2cqe h MET 493 Cb 0.41 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.19 2cqe h MET 493 CO 0.06 -0.16 -0.29 -0.07 0.23 0.00 0.00 176.91 176.68 2cqe h LEU 494 N -0.25 -0.93 -0.67 3.39 4.07 -0.48 -1.31 115.31 119.13 2cqe h LEU 494 Ca 0.04 0.16 0.14 0.00 0.08 0.00 0.00 57.88 58.30 2cqe h LEU 494 Cb 0.35 0.43 -0.11 0.00 1.08 0.00 0.00 40.66 42.42 2cqe h LEU 494 CO -0.33 -0.31 0.08 0.00 -1.08 0.00 0.00 178.44 176.81 2cqe h ALA 495 N 0.72 0.76 -0.53 1.53 0.00 -0.92 -0.84 119.26 119.98 2cqe h ALA 495 Ca 0.14 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.34 2cqe h ALA 495 Cb 0.51 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 2cqe h ALA 495 CO -0.44 -0.36 -0.14 0.22 0.00 0.00 0.00 179.25 178.53 2cqe h ASP 496 N 0.19 -0.52 0.71 0.00 3.58 0.62 0.75 116.42 121.75 2cqe h ASP 496 Ca 0.36 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 2cqe h ASP 496 Cb 0.60 0.34 0.01 0.00 1.72 0.00 0.00 39.33 41.99 2cqe h ASP 496 CO -0.51 -0.18 -0.35 -0.78 -2.88 0.00 0.00 179.24 174.54 2cqe h ASP 497 N -0.01 -0.82 0.35 2.28 3.58 -0.91 -2.70 116.42 118.19 2cqe h ASP 497 Ca 0.26 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 2cqe h ASP 497 Cb 0.40 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2cqe h ASP 497 CO -0.55 -0.58 -0.19 0.00 -2.88 0.00 0.00 179.24 175.03 2cqe h ALA 498 N -0.66 -1.09 -0.57 -0.78 0.00 -0.81 -3.16 119.26 112.20 2cqe h ALA 498 Ca -0.10 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2cqe h ALA 498 Cb 0.74 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2cqe h ALA 498 CO 0.16 -1.06 -0.31 -1.91 0.00 0.00 0.00 179.25 176.13 2cqe n GLU 499 N -3.45 -0.22 -0.90 0.00 2.13 0.26 -4.32 120.64 114.13 2cqe n GLU 499 Ca -0.06 0.86 -0.27 0.00 0.66 0.00 0.00 57.16 58.35 2cqe n GLU 499 Cb 0.20 -1.27 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 2cqe n GLU 499 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cqe n ALA 500 N -3.61 0.17 -2.40 4.31 0.00 -1.02 0.52 120.51 118.49 2cqe n ALA 500 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2cqe n ALA 500 Cb 0.17 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.27 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 4.08 0.09 3.50 0.00 0.00 -1.26 -5.04 105.19 106.55 2cqe n GLY 501 Ca 0.40 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.15 -1.75 0.10 4.61 0.00 0.18 -5.13 121.76 116.62 2cqe s ALA 502 Ca 0.09 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 2cqe s ALA 502 Cb -0.01 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 2cqe s ALA 502 CO 0.30 -0.52 0.58 -2.00 0.00 0.00 0.00 175.76 174.12 2cqe s GLU 503 N -2.20 4.17 0.04 0.00 2.12 -1.26 -4.90 118.70 116.67 2cqe s GLU 503 Ca -0.04 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 2cqe s GLU 503 Cb -0.00 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 2cqe s GLU 503 CO -0.01 0.59 -0.03 0.34 -0.54 0.00 0.00 175.26 175.62 2cqe s ASP 504 N -1.26 0.41 -0.11 -1.70 2.15 -1.26 -5.06 116.67 109.84 2cqe s ASP 504 Ca 0.32 -0.84 -0.07 0.00 0.43 0.00 0.00 52.55 52.39 2cqe s ASP 504 Cb -0.19 0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.64 2cqe s ASP 504 CO 0.19 -0.51 0.27 -0.70 -0.17 0.00 0.00 175.17 174.26 2cqe s GLU 505 N -3.15 0.26 -0.23 4.34 2.12 -1.26 -5.15 118.70 115.63 2cqe s GLU 505 Ca -0.00 0.49 -0.15 0.00 0.36 0.00 0.00 54.97 55.67 2cqe s GLU 505 Cb 0.02 -0.01 0.07 0.00 0.26 0.00 0.00 34.13 34.48 2cqe s GLU 505 CO -0.07 -0.11 0.58 0.21 -0.54 0.00 0.00 175.26 175.33 2cqe s LYS 506 N 0.84 0.61 0.14 4.30 2.36 -1.26 -5.17 119.74 121.56 2cqe s LYS 506 Ca -0.06 1.02 0.00 0.00 -2.55 0.00 0.00 55.97 54.38 2cqe s LYS 506 Cb -0.07 0.12 -0.04 0.00 -1.05 0.00 0.00 37.83 36.79 2cqe s LYS 506 CO -0.06 -0.14 0.03 -1.83 1.55 0.00 0.00 175.35 174.90 2cqe s GLU 507 N 1.32 0.99 -0.26 4.03 1.03 -1.26 -5.14 118.70 119.41 2cqe s GLU 507 Ca -0.08 -1.47 -0.06 0.00 0.03 0.00 0.00 54.97 53.39 2cqe s GLU 507 Cb -0.06 0.02 -0.01 0.00 -0.80 0.00 0.00 34.13 33.29 2cqe s GLU 507 CO -0.14 -0.20 0.04 0.08 -1.33 0.00 0.00 175.26 173.71 2cqe s VAL 508 N -3.87 3.84 0.72 1.83 1.01 -1.26 -5.10 120.40 117.57 2cqe s VAL 508 Ca 0.23 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 2cqe s VAL 508 Cb 0.07 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2cqe s VAL 508 CO 0.02 0.25 1.12 -0.70 0.00 0.00 0.00 175.10 175.80 2cqe s GLU 509 N 1.52 2.41 0.48 2.72 2.12 -1.26 -5.06 118.70 121.62 2cqe s GLU 509 Ca 0.04 1.40 0.03 0.00 0.36 0.00 0.00 54.97 56.80 2cqe s GLU 509 Cb -0.16 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 2cqe s GLU 509 CO 0.01 -1.56 0.01 -1.21 -0.54 0.00 0.00 175.26 171.97 2cqe s GLU 510 N -4.34 2.12 -0.33 4.30 0.41 -1.26 -5.07 118.70 114.53 2cqe s GLU 510 Ca 0.66 -2.32 0.10 0.00 -0.41 0.00 0.00 54.97 53.00 2cqe s GLU 510 Cb -0.21 -1.50 0.46 0.00 -1.78 0.00 0.00 34.13 31.10 2cqe s GLU 510 CO 0.47 -0.29 1.14 1.47 -0.49 0.00 0.00 175.26 177.56 2cqe n LEU 511 N -1.17 4.07 -3.87 1.80 -0.00 -1.26 -4.97 117.00 111.60 2cqe n LEU 511 Ca -0.15 -4.53 -0.26 0.00 -0.00 0.00 0.00 56.01 51.06 2cqe n LEU 511 Cb 0.67 -0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 43.86 2cqe n LEU 511 CO 0.40 1.94 -0.27 1.17 -0.00 0.00 0.00 177.39 180.63 2cqe n LYS 512 N -0.57 -0.79 -1.44 1.47 0.00 -1.26 -4.56 118.16 111.01 2cqe n LYS 512 Ca 0.34 0.01 -0.46 0.00 0.00 0.00 0.00 58.31 58.19 2cqe n LYS 512 Cb 0.85 -2.23 -0.11 0.00 0.00 0.00 0.00 35.03 33.54 2cqe n LYS 512 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2cqe n LYS 513 N -3.70 0.37 -0.09 1.64 5.02 -1.26 -4.74 118.16 115.41 2cqe n LYS 513 Ca -0.19 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 2cqe n LYS 513 Cb 0.47 -1.98 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 2cqe n LYS 513 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cqe n SER 514 N 10.51 1.61 0.00 4.39 2.88 -1.26 -5.14 113.62 126.61 2cqe n SER 514 Ca 0.54 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2cqe n SER 514 Cb 0.13 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 2.04 -0.30 3.77 0.46 0.00 -1.26 -5.00 105.19 104.90 2cqe n GLY 515 Ca -0.35 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2cqe n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqe s PRO 516 N -2.72 2.46 -0.05 1.61 0.04 -1.26 -5.05 135.00 130.02 2cqe s PRO 516 Ca 0.00 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.30 2cqe s PRO 516 Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cqe s PRO 516 CO 0.00 -1.50 -0.04 -1.54 0.04 0.00 0.00 177.00 173.96 2cqe s SER 517 N -3.10 4.86 0.39 6.66 1.04 -1.26 -5.13 113.70 117.17 2cqe s SER 517 Ca 0.63 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 57.14 2cqe s SER 517 Cb -0.18 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 2cqe s SER 517 CO 0.51 0.34 0.21 -0.94 0.98 0.00 0.00 173.24 174.33 2cqe s SER 518 N -1.08 4.63 0.00 7.02 1.04 -1.26 -5.35 113.70 118.70 2cqe s SER 518 Ca 0.15 -0.92 0.07 0.00 0.48 0.00 0.00 55.95 55.73 2cqe s SER 518 Cb -0.11 -0.57 0.05 0.00 0.10 0.00 0.00 66.02 65.49 2cqe s SER 518 CO 0.04 -0.49 0.72 0.61 0.98 0.00 0.00 173.24 175.10