#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 4.08 0.10 1.61 0.15 -1.26 -5.01 113.70 113.36 2cqe s SER 423 Ca 0.00 2.29 -0.07 0.00 0.70 0.00 0.00 55.95 58.87 2cqe s SER 423 Cb 0.00 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 2cqe s SER 423 CO 0.00 -2.34 0.37 -0.94 1.20 0.00 0.00 173.24 171.53 2cqe s SER 424 N -2.22 6.54 0.17 5.45 1.04 -1.26 -5.09 113.70 118.34 2cqe s SER 424 Ca 0.72 0.66 -0.11 0.00 0.48 0.00 0.00 55.95 57.70 2cqe s SER 424 Cb -0.27 -2.12 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 2cqe s SER 424 CO 0.47 0.13 0.51 -0.83 0.98 0.00 0.00 173.24 174.50 2cqe s GLY 425 N -2.07 2.34 -0.25 7.32 0.00 -1.26 -5.08 107.32 108.32 2cqe s GLY 425 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 2cqe s GLY 425 CO 0.21 -0.08 -0.05 -0.45 0.00 0.00 0.00 173.10 172.73 2cqe s SER 426 N -2.07 4.41 -0.06 1.64 0.15 -1.26 -5.08 113.70 111.42 2cqe s SER 426 Ca 0.42 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2cqe s SER 426 Cb -0.13 -1.68 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 2cqe s SER 426 CO 0.20 -0.14 0.01 -0.44 1.20 0.00 0.00 173.24 174.07 2cqe s SER 427 N 1.33 1.33 0.51 5.45 0.01 -1.26 -5.15 113.70 115.92 2cqe s SER 427 Ca -0.00 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.25 2cqe s SER 427 Cb -0.17 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2cqe s SER 427 CO -0.04 -0.18 0.18 -0.83 0.41 0.00 0.00 173.24 172.77 2cqe s GLY 428 N 1.83 2.69 0.16 3.44 0.00 -1.26 -5.15 107.32 109.02 2cqe s GLY 428 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 43.86 2cqe s GLY 428 CO -0.04 -2.07 -0.08 -0.54 0.00 0.00 0.00 173.10 170.37 2cqe s GLU 429 N -4.03 2.14 0.51 2.90 0.41 -1.26 -5.09 118.70 114.28 2cqe s GLU 429 Ca 0.21 -1.17 -0.14 0.00 -0.41 0.00 0.00 54.97 53.47 2cqe s GLU 429 Cb 0.01 -2.24 -0.12 0.00 -1.78 0.00 0.00 34.13 30.00 2cqe s GLU 429 CO 0.13 0.46 -0.27 1.28 -0.49 0.00 0.00 175.26 176.36 2cqe n LEU 430 N 0.21 -3.42 -4.17 1.80 4.77 -1.26 -4.61 117.00 110.32 2cqe n LEU 430 Ca -0.11 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.90 2cqe n LEU 430 Cb 0.54 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 2cqe n LEU 430 CO 0.35 -4.00 1.75 -0.81 -1.33 0.00 0.00 177.39 173.35 2cqe n PRO 431 N 1.41 1.51 -3.76 3.23 -0.04 -1.26 -4.81 135.00 131.29 2cqe n PRO 431 Ca 0.04 -2.18 -0.12 0.00 -0.04 0.00 0.00 63.50 61.20 2cqe n PRO 431 Cb 0.38 -3.37 -0.01 0.00 -0.04 0.00 0.00 33.50 30.46 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 7.76 0.81 -3.65 0.54 4.76 -1.26 -5.09 118.16 122.02 2cqe n LYS 432 Ca 0.47 -2.45 -0.29 0.00 -2.87 0.00 0.00 58.31 53.17 2cqe n LYS 432 Cb 0.44 2.57 -0.15 0.00 -1.84 0.00 0.00 35.03 36.05 2cqe n LYS 432 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2cqe s LYS 433 N -2.52 0.47 -0.09 1.97 -0.14 0.08 -5.00 119.74 114.51 2cqe s LYS 433 Ca 0.23 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2cqe s LYS 433 Cb -0.02 -1.66 0.09 0.00 -1.68 0.00 0.00 37.83 34.55 2cqe s LYS 433 CO 0.17 -0.95 1.58 2.89 -0.76 0.00 0.00 175.35 178.28 2cqe n ARG 434 N 5.05 1.23 -4.31 1.68 -4.01 -1.26 -3.70 116.66 111.33 2cqe n ARG 434 Ca -0.05 -0.49 -0.27 0.00 -1.04 0.00 0.00 57.85 56.01 2cqe n ARG 434 Cb 0.43 -1.19 -0.10 0.00 -3.04 0.00 0.00 32.46 28.56 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 2cqe s GLU 435 N -0.55 1.97 -0.09 2.89 2.12 -1.26 -4.93 118.70 118.85 2cqe s GLU 435 Ca 0.09 -1.32 -0.29 0.00 0.36 0.00 0.00 54.97 53.81 2cqe s GLU 435 Cb 0.08 -2.10 -0.06 0.00 0.26 0.00 0.00 34.13 32.31 2cqe s GLU 435 CO 0.01 0.43 1.79 -1.17 -0.54 0.00 0.00 175.26 175.77 2cqe s LEU 436 N -2.83 4.16 -0.25 2.70 2.96 -1.26 -2.82 118.68 121.33 2cqe s LEU 436 Ca 0.24 2.18 -0.37 0.00 -0.22 0.00 0.00 54.13 55.96 2cqe s LEU 436 Cb -0.09 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.94 2cqe s LEU 436 CO 0.14 -1.15 1.92 0.00 -1.32 0.00 0.00 176.35 175.94 2cqe n LYS 438 N 6.59 0.04 -0.13 0.00 4.76 -1.26 -2.32 118.16 125.83 2cqe n LYS 438 Ca 0.30 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 56.00 2cqe n LYS 438 Cb 0.20 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.65 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cqe n PHE 439 N -1.74 0.00 -0.35 2.13 3.72 -1.26 -4.45 117.46 115.51 2cqe n PHE 439 Ca -0.00 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.66 2cqe n PHE 439 Cb 0.01 -0.97 0.54 0.00 -0.94 0.00 0.00 39.48 38.12 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 -0.84 0.65 -1.47 1.38 3.20 -1.70 0.78 116.97 118.96 2cqe h TYR 440 Ca -0.67 0.02 0.49 0.00 3.14 0.00 0.00 58.73 61.71 2cqe h TYR 440 Cb 1.64 -0.18 -0.13 0.00 1.54 0.00 0.00 36.73 39.60 2cqe h TYR 440 CO -0.07 -0.02 0.96 0.82 -1.64 0.00 0.00 178.16 178.21 2cqe h ILE 441 N 0.32 0.00 0.00 1.81 2.04 -1.73 0.31 117.51 120.27 2cqe h ILE 441 Ca 0.66 -0.00 -0.37 0.00 1.00 0.00 0.00 64.86 66.15 2cqe h ILE 441 Cb 1.76 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2cqe h ILE 441 CO -0.35 0.00 -2.39 0.35 0.00 0.00 0.00 178.15 175.76 2cqe n THR 442 N -4.64 1.40 0.00 -0.27 -2.24 0.24 -5.01 114.28 103.75 2cqe n THR 442 Ca 0.41 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2cqe n THR 442 Cb 1.64 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.95 1.27 3.32 3.38 0.00 0.11 -5.07 105.19 110.15 2cqe n GLY 443 Ca -0.37 0.00 -0.47 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 -2.00 3.56 -0.24 1.61 5.36 -1.25 -4.91 117.98 120.11 2cqe s PHE 444 Ca 0.00 -1.71 -0.02 0.00 -0.96 0.00 0.00 56.93 54.24 2cqe s PHE 444 Cb 0.00 -3.81 0.07 0.00 -0.34 0.00 0.00 43.02 38.94 2cqe s PHE 444 CO 0.00 -1.00 0.04 0.00 -1.46 0.00 0.00 175.22 172.80 2cqe n ALA 446 N 4.94 -0.18 -1.91 0.00 0.00 -1.26 -3.78 120.51 118.32 2cqe n ALA 446 Ca -0.07 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 2cqe n ALA 446 Cb 0.45 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.73 2.61 0.00 0.00 0.52 -1.26 -4.86 118.95 112.23 2cqe s ARG 447 Ca -0.03 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 2cqe s ARG 447 Cb 0.03 -4.41 0.00 0.00 0.52 0.00 0.00 34.95 31.09 2cqe s ARG 447 CO 0.18 -2.73 0.00 0.00 0.02 0.00 0.00 175.30 172.77 2cqe n ALA 448 N 13.13 0.00 1.32 2.13 0.00 -1.25 -3.39 120.51 132.46 2cqe n ALA 448 Ca 0.25 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.82 2cqe n ALA 448 Cb 0.52 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.65 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 -1.33 0.37 -0.54 0.00 4.71 -1.26 -3.20 120.64 119.39 2cqe n GLU 449 Ca 0.00 -0.04 0.04 0.00 -0.01 0.00 0.00 57.16 57.15 2cqe n GLU 449 Cb 0.00 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.16 2cqe n GLU 449 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2cqe n ASN 450 N -1.28 3.21 -4.63 1.62 5.15 -1.26 -4.99 115.26 113.08 2cqe n ASN 450 Ca 0.12 -3.31 -0.43 0.00 -0.60 0.00 0.00 54.58 50.37 2cqe n ASN 450 Cb 0.27 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cqe n PRO 452 N 7.45 0.20 -2.14 0.00 -0.04 -1.26 -4.75 135.00 134.46 2cqe n PRO 452 Ca 0.16 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2cqe n PRO 452 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.30 -1.70 -3.89 0.54 4.02 -1.26 -0.74 117.16 112.83 2cqe n TYR 453 Ca 0.07 -0.82 -0.32 0.00 -0.01 0.00 0.00 57.90 56.81 2cqe n TYR 453 Cb 0.12 -0.18 -0.04 0.00 -0.02 0.00 0.00 39.34 39.22 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 -2.87 3.46 0.00 -0.72 -1.94 -1.13 -4.94 119.30 111.16 2cqe s MET 454 Ca 0.15 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 2cqe s MET 454 Cb -0.01 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.78 2cqe s MET 454 CO 0.09 0.62 0.00 0.72 -0.01 0.00 0.00 175.02 176.45 2cqe n HIS 455 N 0.52 0.00 -0.02 -0.03 8.25 -1.26 -3.44 115.22 119.24 2cqe n HIS 455 Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2cqe n HIS 455 Cb 0.52 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.99 -1.41 0.00 -1.96 -3.34 103.07 95.38 2cqe h GLY 456 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.67 2cqe h GLY 456 CO 0.00 0.00 0.64 1.22 0.00 0.00 0.00 176.54 178.40 2cqe n ASP 457 N -3.32 0.14 -4.68 0.19 9.92 -1.26 -3.77 116.55 113.78 2cqe n ASP 457 Ca -0.00 0.97 -0.45 0.00 -0.53 0.00 0.00 54.79 54.77 2cqe n ASP 457 Cb 0.01 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.97 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 -4.08 2.41 -2.23 1.24 7.35 -1.25 -4.90 117.46 116.01 2cqe n PHE 458 Ca 0.29 0.02 -0.41 0.00 -0.76 0.00 0.00 57.45 56.59 2cqe n PHE 458 Cb 1.12 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 38.26 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 2.65 4.40 0.57 -7.13 0.04 -1.26 -3.65 135.00 130.62 2cqe s PRO 459 Ca 0.85 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.73 2cqe s PRO 459 Cb -0.61 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 2cqe s PRO 459 CO 0.42 -0.22 1.19 0.00 0.04 0.00 0.00 177.00 178.43 2cqe h LYS 461 N 0.98 0.00 -0.49 0.00 3.64 -1.93 -3.34 116.57 115.43 2cqe h LYS 461 Ca -0.49 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 2cqe h LYS 461 Cb 1.33 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 2cqe h LYS 461 CO 0.54 0.00 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.16 2cqe h LEU 462 N -0.18 -1.67 -0.89 5.20 3.38 -1.93 0.70 115.31 119.91 2cqe h LEU 462 Ca 0.00 0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.42 2cqe h LEU 462 Cb 0.00 0.72 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2cqe h LEU 462 CO 0.00 -0.37 1.10 0.22 0.09 0.00 0.00 178.44 179.48 2cqe h TYR 463 N -0.31 0.00 0.00 1.13 3.20 -1.76 0.97 116.97 120.21 2cqe h TYR 463 Ca 0.13 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.59 2cqe h TYR 463 Cb 0.58 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 2cqe h TYR 463 CO -0.72 0.00 -2.33 0.72 -1.64 0.00 0.00 178.16 174.19 2cqe n HIS 464 N -3.09 0.01 -0.23 -3.82 8.25 0.21 -1.99 115.22 114.56 2cqe n HIS 464 Ca 0.16 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 2cqe n HIS 464 Cb 1.32 -0.93 0.15 0.00 1.12 0.00 0.00 29.99 31.65 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 -4.28 -0.28 0.00 1.59 -2.24 0.92 -2.85 114.28 107.14 2cqe n THR 465 Ca -0.49 1.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.76 2cqe n THR 465 Cb 0.84 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 -4.96 0.00 0.00 4.28 -2.24 -1.03 -5.06 114.28 105.27 2cqe n THR 466 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2cqe n THR 466 Cb 0.42 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.72 3.77 3.81 3.38 0.00 -0.84 -5.08 105.19 112.95 2cqe n GLY 467 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.05 5.54 -0.11 1.61 -0.87 -1.23 -4.54 114.94 115.30 2cqe s ASN 468 Ca 0.00 -0.17 0.02 0.00 -1.57 0.00 0.00 52.86 51.14 2cqe s ASN 468 Cb 0.00 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.25 39.78 2cqe s ASN 468 CO 0.00 0.03 -0.19 0.00 -2.57 0.00 0.00 177.10 174.36 2cqe h ILE 470 N 5.48 0.80 0.45 0.00 6.09 -2.00 -2.85 117.51 125.47 2cqe h ILE 470 Ca -0.24 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.23 2cqe h ILE 470 Cb 1.22 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 2cqe h ILE 470 CO 0.51 0.00 -0.33 0.78 -3.07 0.00 0.00 178.15 176.04 2cqe h ASN 471 N 0.00 -0.86 0.00 2.19 4.21 -1.98 -3.49 115.58 115.65 2cqe h ASN 471 Ca 0.12 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.69 2cqe h ASN 471 Cb 0.52 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.98 2cqe h ASN 471 CO -0.00 -0.47 0.00 0.61 -1.29 0.00 0.00 177.43 176.27 2cqe n GLY 472 N -1.39 0.60 0.18 2.83 0.00 -1.08 -4.84 105.19 101.48 2cqe n GLY 472 Ca -0.09 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 0.77 -2.45 1.61 3.32 -1.96 -3.34 116.42 114.37 2cqe h ASP 473 Ca 0.00 -0.64 -0.81 0.00 0.02 0.00 0.00 57.03 55.61 2cqe h ASP 473 Cb 0.00 -0.24 -0.28 0.00 0.22 0.00 0.00 39.33 39.04 2cqe h ASP 473 CO 0.00 1.44 0.93 -0.90 -1.72 0.00 0.00 179.24 178.99 2cqe n ASP 474 N -3.80 7.02 -4.80 6.45 5.75 -1.26 -5.02 116.55 120.89 2cqe n ASP 474 Ca -0.10 -3.60 -0.35 0.00 -0.01 0.00 0.00 54.79 50.73 2cqe n ASP 474 Cb 0.89 -1.19 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqe h MET 476 N 2.37 0.00 -6.21 0.00 -0.00 -1.96 -3.42 114.93 105.71 2cqe h MET 476 Ca -0.48 0.00 -0.48 0.00 -0.00 0.00 0.00 59.70 58.74 2cqe h MET 476 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.76 2cqe h MET 476 CO 0.62 0.00 -0.47 -0.06 -0.00 0.00 0.00 176.91 177.01 2cqe s PHE 477 N -4.48 3.18 0.26 -0.10 0.08 -1.26 -4.89 117.98 110.77 2cqe s PHE 477 Ca -0.05 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2cqe s PHE 477 Cb 0.14 -1.57 -0.09 0.00 -0.57 0.00 0.00 43.02 40.93 2cqe s PHE 477 CO 0.50 0.39 0.93 -1.12 -0.10 0.00 0.00 175.22 175.82 2cqe s SER 478 N -3.94 7.56 -0.33 1.36 0.01 -1.24 -4.85 113.70 112.26 2cqe s SER 478 Ca 0.36 1.90 0.08 0.00 1.31 0.00 0.00 55.95 59.60 2cqe s SER 478 Cb -0.08 -2.60 0.56 0.00 0.21 0.00 0.00 66.02 64.11 2cqe s SER 478 CO 0.27 0.11 1.60 1.41 0.41 0.00 0.00 173.24 177.04 2cqe n HIS 479 N 1.27 1.68 -1.78 2.43 8.25 -1.26 -1.53 115.22 124.27 2cqe n HIS 479 Ca -0.01 -1.64 -0.34 0.00 -0.26 0.00 0.00 57.72 55.47 2cqe n HIS 479 Cb 0.48 -0.62 0.05 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.13 4.92 -0.19 0.41 1.01 -1.26 -4.93 116.67 114.50 2cqe s ASP 480 Ca 0.48 2.23 -0.29 0.00 0.71 0.00 0.00 52.55 55.68 2cqe s ASP 480 Cb 0.43 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2cqe s ASP 480 CO 0.03 -1.77 1.58 -2.16 0.21 0.00 0.00 175.17 173.07 2cqe s PRO 481 N -3.74 3.91 0.43 8.23 0.04 -1.26 -4.92 135.00 137.68 2cqe s PRO 481 Ca 0.73 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.32 2cqe s PRO 481 Cb -0.26 -4.00 -0.15 0.00 0.04 0.00 0.00 34.50 30.13 2cqe s PRO 481 CO 0.39 -1.15 0.04 1.28 0.04 0.00 0.00 177.00 177.60 2cqe n LEU 482 N 8.01 -3.03 -4.24 -3.56 4.77 -1.26 -4.99 117.00 112.70 2cqe n LEU 482 Ca 0.18 0.78 -0.17 0.00 -0.03 0.00 0.00 56.01 56.76 2cqe n LEU 482 Cb 0.45 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2cqe n LEU 482 CO 0.63 -4.33 -0.44 0.42 -1.33 0.00 0.00 177.39 172.34 2cqe s THR 483 N -1.75 1.30 0.52 -5.08 -4.23 -1.26 -4.89 115.64 100.25 2cqe s THR 483 Ca 0.59 -1.77 0.45 0.00 -1.18 0.00 0.00 61.69 59.78 2cqe s THR 483 Cb -0.61 -1.57 0.67 0.00 1.34 0.00 0.00 72.50 72.33 2cqe s THR 483 CO 0.63 -0.47 1.52 -1.84 -0.54 0.00 0.00 174.62 173.93 2cqe n GLU 484 N 0.42 -0.01 0.00 3.99 0.00 -1.26 0.59 120.64 124.37 2cqe n GLU 484 Ca -0.15 1.10 0.00 0.00 0.00 0.00 0.00 57.16 58.11 2cqe n GLU 484 Cb 0.58 -2.44 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2cqe n GLU 484 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2cqe n GLU 485 N -4.06 0.00 -0.21 3.44 0.00 -1.26 -3.89 120.64 114.66 2cqe n GLU 485 Ca 0.43 0.30 -0.00 0.00 0.00 0.00 0.00 57.16 57.88 2cqe n GLU 485 Cb 1.87 -0.79 0.07 0.00 0.00 0.00 0.00 31.44 32.59 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2cqe h THR 486 N 0.00 0.38 -0.99 6.31 1.35 -1.77 0.22 112.91 118.42 2cqe h THR 486 Ca 0.00 -0.01 0.34 0.00 -0.55 0.00 0.00 66.41 66.19 2cqe h THR 486 Cb 0.00 0.36 -0.18 0.00 -1.73 0.00 0.00 68.15 66.60 2cqe h THR 486 CO 0.00 0.00 0.26 -1.14 -0.25 0.00 0.00 175.52 174.39 2cqe n ARG 487 N -5.41 -0.07 -0.30 4.72 0.00 0.20 0.17 116.66 115.97 2cqe n ARG 487 Ca 0.08 1.42 -0.03 0.00 -0.00 0.00 0.00 57.85 59.32 2cqe n ARG 487 Cb 0.34 -2.39 0.08 0.00 0.00 0.00 0.00 32.46 30.49 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 1.07 0.06 -0.14 4.39 -1.06 -3.07 114.58 115.84 2cqe h GLU 488 Ca 0.71 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.35 2cqe h GLU 488 Cb 1.69 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 2cqe h GLU 488 CO -0.85 0.71 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.36 2cqe h LEU 489 N 1.10 -0.84 -0.94 1.33 3.38 0.16 -2.80 115.31 116.72 2cqe h LEU 489 Ca 0.31 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.46 2cqe h LEU 489 Cb -0.10 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 2cqe h LEU 489 CO -0.08 -0.29 -0.57 -0.07 0.09 0.00 0.00 178.44 177.52 2cqe h LEU 490 N -0.40 -2.07 -1.21 1.67 3.38 -1.47 0.79 115.31 116.01 2cqe h LEU 490 Ca -0.00 0.32 0.44 0.00 0.09 0.00 0.00 57.88 58.73 2cqe h LEU 490 Cb 0.40 0.92 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 2cqe h LEU 490 CO -0.15 -0.25 0.75 0.47 0.09 0.00 0.00 178.44 179.34 2cqe n ASP 491 N -5.28 0.24 0.14 -0.43 9.92 -1.07 0.18 116.55 120.24 2cqe n ASP 491 Ca 0.02 1.41 -0.23 0.00 -0.53 0.00 0.00 54.79 55.47 2cqe n ASP 491 Cb 0.28 -0.69 -0.16 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 0.48 0.77 -1.24 1.63 0.73 -3.19 116.57 115.75 2cqe h LYS 492 Ca 0.84 -0.83 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2cqe h LYS 492 Cb 2.55 0.31 0.01 0.00 -0.60 0.00 0.00 32.23 34.50 2cqe h LYS 492 CO -0.54 1.39 -0.37 1.98 -3.45 0.00 0.00 179.45 178.47 2cqe h MET 493 N 0.13 -0.99 -0.48 1.90 4.05 0.33 0.18 114.93 120.05 2cqe h MET 493 Ca -0.24 0.07 0.09 0.00 -0.28 0.00 0.00 59.70 59.34 2cqe h MET 493 Cb 2.13 0.23 -0.10 0.00 -0.80 0.00 0.00 31.60 33.06 2cqe h MET 493 CO 0.26 -0.64 -0.35 -0.07 0.23 0.00 0.00 176.91 176.34 2cqe h LEU 494 N -1.17 -1.17 -0.84 3.39 -0.00 -0.92 0.26 115.31 114.86 2cqe h LEU 494 Ca -0.11 0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2cqe h LEU 494 Cb 0.81 0.56 -0.04 0.00 -0.00 0.00 0.00 40.66 41.98 2cqe h LEU 494 CO 0.17 -0.32 0.46 0.00 -0.00 0.00 0.00 178.44 178.75 2cqe h ALA 495 N 0.80 1.08 0.76 1.53 0.00 -1.55 0.94 119.26 122.82 2cqe h ALA 495 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2cqe h ALA 495 Cb 0.55 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2cqe h ALA 495 CO -0.60 0.60 -0.38 -0.44 0.00 0.00 0.00 179.25 178.42 2cqe h ASP 496 N 1.18 -0.91 0.91 0.00 3.32 0.13 -1.51 116.42 119.53 2cqe h ASP 496 Ca 0.30 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2cqe h ASP 496 Cb 0.04 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2cqe h ASP 496 CO -0.05 -0.63 -0.48 -0.78 -1.72 0.00 0.00 179.24 175.58 2cqe h ASP 497 N -1.04 -1.18 -0.98 6.45 3.58 -0.56 0.33 116.42 123.03 2cqe h ASP 497 Ca -0.10 0.05 0.16 0.00 0.42 0.00 0.00 57.03 57.56 2cqe h ASP 497 Cb 0.80 0.32 -0.16 0.00 1.72 0.00 0.00 39.33 42.01 2cqe h ASP 497 CO 0.16 -0.79 -0.36 0.00 -2.88 0.00 0.00 179.24 175.37 2cqe n ALA 498 N -2.69 -0.06 0.26 -0.78 0.00 0.32 -1.79 120.51 115.77 2cqe n ALA 498 Ca -0.16 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 2cqe n ALA 498 Cb 0.52 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.69 -6.04 0.00 4.22 -1.16 -3.38 114.58 107.54 2cqe h GLU 499 Ca 0.36 0.05 -0.56 0.00 0.08 0.00 0.00 59.36 59.29 2cqe h GLU 499 Cb 0.61 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.92 2cqe h GLU 499 CO -0.98 -0.46 1.44 0.00 -2.18 0.00 0.00 179.01 176.83 2cqe s ALA 500 N -4.39 2.60 0.49 2.92 0.00 0.11 -4.96 121.76 118.54 2cqe s ALA 500 Ca -0.10 -2.20 0.07 0.00 0.00 0.00 0.00 51.96 49.73 2cqe s ALA 500 Cb 0.01 -4.54 0.07 0.00 0.00 0.00 0.00 23.12 18.66 2cqe s ALA 500 CO 0.31 -3.77 0.62 0.41 0.00 0.00 0.00 175.76 173.33 2cqe n GLY 501 N 6.78 2.14 3.61 0.00 0.00 -1.22 -4.54 105.19 111.97 2cqe n GLY 501 Ca 0.35 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2cqe n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqe s ALA 502 N -2.62 0.56 -0.57 4.61 0.00 -1.26 -4.15 121.76 118.33 2cqe s ALA 502 Ca 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2cqe s ALA 502 Cb -0.04 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2cqe s ALA 502 CO 0.30 -3.13 0.50 -1.91 0.00 0.00 0.00 175.76 171.51 2cqe n GLU 503 N -4.41 -3.33 -4.15 0.00 4.07 -1.26 -5.05 120.64 106.51 2cqe n GLU 503 Ca 0.05 0.36 -0.12 0.00 -0.06 0.00 0.00 57.16 57.39 2cqe n GLU 503 Cb 0.55 -3.96 -0.11 0.00 -0.06 0.00 0.00 31.44 27.86 2cqe n GLU 503 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2cqe s ASP 504 N -3.24 1.17 0.10 4.31 -4.77 -1.26 -5.17 116.67 107.81 2cqe s ASP 504 Ca 0.20 -0.84 0.08 0.00 -3.30 0.00 0.00 52.55 48.69 2cqe s ASP 504 Cb -0.09 0.05 -0.03 0.00 -1.09 0.00 0.00 42.92 41.76 2cqe s ASP 504 CO 0.32 -0.34 -0.20 -0.70 0.70 0.00 0.00 175.17 174.95 2cqe s GLU 505 N -2.96 1.10 -0.13 2.11 2.56 -1.26 -5.14 118.70 114.98 2cqe s GLU 505 Ca 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 54.97 53.89 2cqe s GLU 505 Cb -0.01 -1.33 0.02 0.00 2.00 0.00 0.00 34.13 34.81 2cqe s GLU 505 CO -0.02 0.31 -0.14 -1.59 -0.56 0.00 0.00 175.26 173.26 2cqe s LYS 506 N -1.85 2.21 -0.30 4.30 -2.85 -1.26 -5.08 119.74 114.91 2cqe s LYS 506 Ca 0.06 -0.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.47 2cqe s LYS 506 Cb -0.10 -2.00 0.19 0.00 -2.06 0.00 0.00 37.83 33.86 2cqe s LYS 506 CO 0.04 -0.19 0.75 -2.00 0.10 0.00 0.00 175.35 174.05 2cqe s GLU 507 N 1.37 0.43 -0.32 1.78 2.12 -1.26 -5.14 118.70 117.68 2cqe s GLU 507 Ca 0.02 0.60 -0.10 0.00 0.36 0.00 0.00 54.97 55.85 2cqe s GLU 507 Cb -0.13 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2cqe s GLU 507 CO -0.08 -0.62 0.16 0.54 -0.54 0.00 0.00 175.26 174.72 2cqe s VAL 508 N 2.88 4.53 0.21 3.70 0.11 -1.26 -5.07 120.40 125.50 2cqe s VAL 508 Ca 0.14 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.34 2cqe s VAL 508 Cb -0.11 -3.36 -0.10 0.00 -1.53 0.00 0.00 36.38 31.29 2cqe s VAL 508 CO -0.21 0.00 1.47 -1.61 -3.33 0.00 0.00 175.10 171.42 2cqe s GLU 509 N 1.59 4.26 -0.34 1.54 2.02 -1.26 -4.90 118.70 121.61 2cqe s GLU 509 Ca 0.04 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.32 2cqe s GLU 509 Cb -0.18 -3.14 0.30 0.00 0.10 0.00 0.00 34.13 31.22 2cqe s GLU 509 CO 0.06 -0.48 1.84 -1.91 0.02 0.00 0.00 175.26 174.80 2cqe n GLU 510 N 3.02 1.88 -4.13 1.61 4.07 -1.26 -4.85 120.64 120.97 2cqe n GLU 510 Ca 0.09 -1.83 -0.31 0.00 -0.06 0.00 0.00 57.16 55.06 2cqe n GLU 510 Cb 0.40 -1.72 -0.05 0.00 -0.06 0.00 0.00 31.44 30.01 2cqe n GLU 510 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2cqe n LEU 511 N -0.09 -1.43 -2.90 4.31 4.77 -1.26 -0.84 117.00 119.56 2cqe n LEU 511 Ca 0.35 -1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.00 2cqe n LEU 511 Cb 0.80 -1.86 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 2cqe n LEU 511 CO 0.42 0.50 -0.11 2.29 -1.33 0.00 0.00 177.39 179.16 2cqe n LYS 512 N -4.56 -0.91 -1.44 3.23 -0.00 -1.26 -4.56 118.16 108.66 2cqe n LYS 512 Ca -0.28 0.05 -0.56 0.00 -0.00 0.00 0.00 58.31 57.51 2cqe n LYS 512 Cb 0.67 -1.78 -0.08 0.00 -0.00 0.00 0.00 35.03 33.85 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2cqe n LYS 513 N -2.11 0.00 -3.63 -1.58 3.00 -0.02 -4.90 118.16 108.92 2cqe n LYS 513 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.26 2cqe n LYS 513 Cb 0.22 -1.30 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 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 1.67 -0.21 0.00 3.14 0.15 -1.26 -5.15 113.70 112.04 2cqe s SER 514 Ca 0.87 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2cqe s SER 514 Cb -1.23 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2cqe s SER 514 CO 0.63 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2cqe n GLY 515 N -0.35 -0.64 3.68 9.45 0.00 -1.26 -5.17 105.19 110.90 2cqe n GLY 515 Ca -0.06 0.77 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 0.57 -0.20 1.61 0.04 -1.26 -5.09 135.00 130.67 2cqe s PRO 516 Ca 0.00 0.57 -0.27 0.00 0.04 0.00 0.00 61.00 61.34 2cqe s PRO 516 Cb 0.00 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.88 2cqe s PRO 516 CO 0.00 -2.65 0.79 -1.54 0.04 0.00 0.00 177.00 173.64 2cqe s SER 517 N -3.45 -0.63 0.05 6.66 1.04 -1.26 -5.18 113.70 110.94 2cqe s SER 517 Ca 0.65 1.05 -0.27 0.00 0.48 0.00 0.00 55.95 57.86 2cqe s SER 517 Cb -0.18 1.00 0.09 0.00 0.10 0.00 0.00 66.02 67.03 2cqe s SER 517 CO 0.57 -0.33 0.95 -0.55 0.98 0.00 0.00 173.24 174.86 2cqe s SER 518 N -0.20 -0.27 0.00 7.02 0.15 -1.26 -5.38 113.70 113.76 2cqe s SER 518 Ca -0.02 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2cqe s SER 518 Cb -0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2cqe s SER 518 CO 0.02 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.36