#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 -0.34 0.47 1.61 0.15 -1.26 -5.15 113.70 109.18 2cqe s SER 423 Ca 0.00 0.65 -0.15 0.00 0.70 0.00 0.00 55.95 57.15 2cqe s SER 423 Cb 0.00 0.66 -0.13 0.00 -1.71 0.00 0.00 66.02 64.84 2cqe s SER 423 CO 0.00 -0.11 -0.16 -0.24 1.20 0.00 0.00 173.24 173.93 2cqe n SER 424 N 2.02 -3.29 0.00 5.45 2.88 -1.26 -4.43 113.62 114.99 2cqe n SER 424 Ca -0.12 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2cqe n SER 424 Cb 0.56 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 2.20 0.75 3.26 0.46 0.00 -1.26 -4.88 105.19 105.72 2cqe n GLY 425 Ca 0.06 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 2cqe n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqe s SER 426 N -4.00 1.92 1.17 1.61 1.04 -1.26 -5.15 113.70 109.03 2cqe s SER 426 Ca 0.00 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.26 2cqe s SER 426 Cb 0.00 -0.03 0.20 0.00 0.10 0.00 0.00 66.02 66.29 2cqe s SER 426 CO 0.00 -0.29 0.40 -1.54 0.98 0.00 0.00 173.24 172.78 2cqe n SER 427 N -0.16 -2.71 -4.68 7.02 3.41 -1.26 -5.04 113.62 110.20 2cqe n SER 427 Ca -0.10 -0.32 -0.27 0.00 -0.26 0.00 0.00 58.87 57.91 2cqe n SER 427 Cb 0.60 -0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 63.48 2cqe n SER 427 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqe s GLY 428 N -2.16 2.48 -0.57 5.00 0.00 -1.26 -5.09 107.32 105.71 2cqe s GLY 428 Ca 0.56 -2.10 -0.23 0.00 0.00 0.00 0.00 44.72 42.96 2cqe s GLY 428 CO 0.58 -2.03 0.88 1.85 0.00 0.00 0.00 173.10 174.37 2cqe s GLU 429 N -3.80 3.22 0.33 2.90 -6.30 -1.26 -5.03 118.70 108.75 2cqe s GLU 429 Ca 0.35 -0.57 0.07 0.00 -2.50 0.00 0.00 54.97 52.33 2cqe s GLU 429 Cb 0.07 -4.11 -0.02 0.00 0.00 0.00 0.00 34.13 30.07 2cqe s GLU 429 CO 0.19 -1.52 0.36 -0.48 0.02 0.00 0.00 175.26 173.82 2cqe s LEU 430 N 3.69 3.79 -1.18 2.70 0.05 -1.26 -5.01 118.68 121.46 2cqe s LEU 430 Ca 0.25 -0.34 -0.23 0.00 0.05 0.00 0.00 54.13 53.86 2cqe s LEU 430 Cb -0.15 -2.46 -0.09 0.00 -2.05 0.00 0.00 46.19 41.44 2cqe s LEU 430 CO 0.15 -0.36 1.93 -0.81 -0.55 0.00 0.00 176.35 176.72 2cqe n PRO 431 N -1.47 1.60 -3.65 1.48 -0.04 -1.26 -4.84 135.00 126.82 2cqe n PRO 431 Ca -0.02 -2.46 -0.14 0.00 -0.04 0.00 0.00 63.50 60.84 2cqe n PRO 431 Cb 0.59 -3.72 -0.07 0.00 -0.04 0.00 0.00 33.50 30.26 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 6.43 0.89 -0.05 0.54 -0.14 -1.26 -5.04 119.74 121.11 2cqe s LYS 432 Ca 0.68 -0.13 0.05 0.00 -1.36 0.00 0.00 55.97 55.21 2cqe s LYS 432 Cb -0.00 0.40 -0.01 0.00 -1.68 0.00 0.00 37.83 36.54 2cqe s LYS 432 CO 0.14 -0.28 -0.22 0.15 -0.76 0.00 0.00 175.35 174.37 2cqe s LYS 433 N -1.78 2.23 -0.49 1.68 1.02 0.75 -5.03 119.74 118.12 2cqe s LYS 433 Ca -0.09 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.13 2cqe s LYS 433 Cb -0.02 -1.92 0.46 0.00 -0.52 0.00 0.00 37.83 35.83 2cqe s LYS 433 CO 0.03 0.34 1.65 0.54 -0.92 0.00 0.00 175.35 176.98 2cqe n ARG 434 N 3.00 3.06 -4.22 1.68 5.12 -1.26 -3.87 116.66 120.16 2cqe n ARG 434 Ca -0.18 -3.67 -0.29 0.00 -1.93 0.00 0.00 57.85 51.79 2cqe n ARG 434 Cb 0.52 -2.27 -0.09 0.00 -1.16 0.00 0.00 32.46 29.46 2cqe n ARG 434 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2cqe s GLU 435 N -3.70 2.21 0.06 5.56 8.01 -1.26 -4.82 118.70 124.76 2cqe s GLU 435 Ca 0.58 -1.04 -0.31 0.00 0.01 0.00 0.00 54.97 54.22 2cqe s GLU 435 Cb 0.46 -2.33 -0.08 0.00 -4.31 0.00 0.00 34.13 27.87 2cqe s GLU 435 CO 0.01 0.50 1.71 -1.17 0.01 0.00 0.00 175.26 176.32 2cqe s LEU 436 N -2.39 4.37 0.32 1.80 2.96 -1.26 -1.96 118.68 122.51 2cqe s LEU 436 Ca 0.23 2.53 -0.29 0.00 -0.22 0.00 0.00 54.13 56.38 2cqe s LEU 436 Cb -0.11 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 2cqe s LEU 436 CO 0.15 -0.93 1.29 0.00 -1.32 0.00 0.00 176.35 175.55 2cqe n LYS 438 N 1.00 0.98 -0.06 0.00 5.02 -1.26 -3.69 118.16 120.16 2cqe n LYS 438 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2cqe n LYS 438 Cb 0.42 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.76 0.00 -0.34 2.13 3.72 -1.26 -4.63 117.46 116.32 2cqe n PHE 439 Ca 0.12 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.73 2cqe n PHE 439 Cb 0.06 -0.45 0.42 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.54 0.98 -1.19 1.38 3.20 -1.84 0.15 116.97 119.11 2cqe h TYR 440 Ca -0.25 0.04 0.44 0.00 3.14 0.00 0.00 58.73 62.10 2cqe h TYR 440 Cb 1.05 -0.27 -0.16 0.00 1.54 0.00 0.00 36.73 38.89 2cqe h TYR 440 CO -0.12 -0.04 0.72 0.82 -1.64 0.00 0.00 178.16 177.90 2cqe h ILE 441 N 0.47 0.03 0.00 1.81 2.04 -1.82 -0.13 117.51 119.92 2cqe h ILE 441 Ca 0.68 -0.01 -0.35 0.00 1.00 0.00 0.00 64.86 66.19 2cqe h ILE 441 Cb 1.42 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 2cqe h ILE 441 CO -0.53 0.01 -2.32 0.35 0.00 0.00 0.00 178.15 175.65 2cqe n THR 442 N -4.98 1.33 0.00 -0.27 -2.24 0.40 -5.02 114.28 103.50 2cqe n THR 442 Ca 0.39 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2cqe n THR 442 Cb 1.40 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.16 1.35 3.34 3.38 0.00 -0.06 -5.06 105.19 110.30 2cqe n GLY 443 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 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 3.83 -0.30 1.61 5.36 -1.23 -4.89 117.98 120.37 2cqe s PHE 444 Ca 0.00 -2.12 0.02 0.00 -0.96 0.00 0.00 56.93 53.87 2cqe s PHE 444 Cb 0.00 -3.87 0.09 0.00 -0.34 0.00 0.00 43.02 38.90 2cqe s PHE 444 CO 0.00 -1.02 0.02 0.00 -1.46 0.00 0.00 175.22 172.76 2cqe n ALA 446 N 4.55 -0.55 -2.60 0.00 0.00 -1.26 -3.77 120.51 116.89 2cqe n ALA 446 Ca -0.03 0.86 -0.43 0.00 0.00 0.00 0.00 53.44 53.84 2cqe n ALA 446 Cb 0.43 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -5.56 3.53 0.00 0.00 0.52 -1.26 -4.93 118.95 111.24 2cqe s ARG 447 Ca -0.12 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 2cqe s ARG 447 Cb 0.12 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.61 2cqe s ARG 447 CO 0.63 -1.51 0.00 0.00 0.02 0.00 0.00 175.30 174.43 2cqe n ALA 448 N 7.94 0.00 1.72 2.13 0.00 -1.25 -3.47 120.51 127.58 2cqe n ALA 448 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2cqe n ALA 448 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.69 1.22 -0.00 0.00 1.02 -1.26 -3.05 120.64 117.88 2cqe n GLU 449 Ca 0.00 -0.33 0.06 0.00 -0.02 0.00 0.00 57.16 56.87 2cqe n GLU 449 Cb 0.00 -1.14 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 2cqe n GLU 449 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cqe n ASN 450 N -0.29 0.98 -4.61 1.62 2.85 -1.26 -4.95 115.26 109.61 2cqe n ASN 450 Ca 0.06 -0.58 -0.43 0.00 -0.11 0.00 0.00 54.58 53.52 2cqe n ASN 450 Cb 0.10 1.16 -0.03 0.00 1.24 0.00 0.00 39.78 42.24 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cqe n PRO 452 N 8.35 0.49 -3.04 0.00 -0.04 -1.26 -4.75 135.00 134.75 2cqe n PRO 452 Ca 0.24 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 2cqe n PRO 452 Cb 0.46 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.81 0.04 0.54 1.51 -1.25 -0.18 117.35 117.82 2cqe s TYR 453 Ca 0.16 -0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 55.43 2cqe s TYR 453 Cb 0.08 -2.25 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2cqe s TYR 453 CO 0.13 -0.94 0.47 -1.64 -1.11 0.00 0.00 175.55 172.46 2cqe s MET 454 N -4.57 4.00 0.00 -0.62 -1.94 -0.83 -4.93 119.30 110.41 2cqe s MET 454 Ca 0.60 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 2cqe s MET 454 Cb -0.07 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2cqe s MET 454 CO 0.37 0.65 0.00 0.72 -0.01 0.00 0.00 175.02 176.75 2cqe n HIS 455 N 1.66 0.00 -0.02 -0.03 8.25 -1.26 -3.29 115.22 120.53 2cqe n HIS 455 Ca -0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2cqe n HIS 455 Cb 0.52 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 2cqe n HIS 455 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2cqe h GLY 456 N 0.00 0.00 -0.63 -1.41 0.00 -1.95 -3.35 103.07 95.73 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 0.18 1.22 0.00 0.00 0.00 176.54 177.94 2cqe n ASP 457 N -2.85 0.08 -4.56 0.19 8.00 -1.26 -3.69 116.55 112.46 2cqe n ASP 457 Ca -0.00 1.06 -0.54 0.00 0.71 0.00 0.00 54.79 56.01 2cqe n ASP 457 Cb 0.01 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.59 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 -4.61 1.20 -2.26 1.24 7.35 -1.26 -4.75 117.46 114.38 2cqe n PHE 458 Ca 0.20 0.78 -0.38 0.00 -0.76 0.00 0.00 57.45 57.28 2cqe n PHE 458 Cb 0.65 -2.25 -0.02 0.00 0.35 0.00 0.00 39.48 38.22 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 0.28 3.99 0.39 -7.13 0.04 -1.26 -3.55 135.00 127.75 2cqe s PRO 459 Ca 0.86 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 63.50 2cqe s PRO 459 Cb -1.05 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 30.76 2cqe s PRO 459 CO 0.50 -0.38 1.31 0.00 0.04 0.00 0.00 177.00 178.47 2cqe h LYS 461 N 2.84 -0.09 -0.56 0.00 3.64 -1.94 -3.32 116.57 117.14 2cqe h LYS 461 Ca -0.50 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2cqe h LYS 461 Cb 1.24 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 2cqe h LYS 461 CO 0.63 -0.06 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.17 2cqe h LEU 462 N -0.35 -1.77 -1.02 5.20 3.38 -1.94 0.71 115.31 119.53 2cqe h LEU 462 Ca -0.01 0.26 0.29 0.00 0.09 0.00 0.00 57.88 58.51 2cqe h LEU 462 Cb 0.07 0.76 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2cqe h LEU 462 CO 0.02 -0.35 1.19 0.00 0.09 0.00 0.00 178.44 179.38 2cqe n TYR 463 N -5.37 0.00 -0.12 1.13 4.19 -1.24 -0.60 117.16 115.14 2cqe n TYR 463 Ca -0.01 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.98 2cqe n TYR 463 Cb 0.33 -0.25 -0.08 0.00 0.49 0.00 0.00 39.34 39.83 2cqe n TYR 463 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 2cqe n HIS 464 N -3.19 0.00 -0.19 2.98 8.25 0.21 -1.80 115.22 121.49 2cqe n HIS 464 Ca 0.23 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.84 2cqe n HIS 464 Cb 1.50 -0.82 0.28 0.00 1.12 0.00 0.00 29.99 32.07 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 -0.24 0.00 1.59 -2.24 0.90 -2.59 114.28 107.42 2cqe n THR 465 Ca -0.41 1.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.56 2cqe n THR 465 Cb 0.76 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 -4.43 0.00 0.00 4.28 -2.24 -1.01 -5.06 114.28 105.81 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 0.63 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.03 4.13 3.82 3.38 0.00 -0.74 -5.08 105.19 112.73 2cqe n GLY 467 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 5.80 -0.44 1.61 -0.87 -1.23 -4.52 114.94 115.30 2cqe s ASN 468 Ca 0.00 0.07 -0.05 0.00 -1.57 0.00 0.00 52.86 51.31 2cqe s ASN 468 Cb 0.00 -1.63 0.11 0.00 -0.02 0.00 0.00 41.25 39.71 2cqe s ASN 468 CO 0.00 0.16 0.26 0.00 -2.57 0.00 0.00 177.10 174.95 2cqe n ILE 470 N 4.70 1.85 -0.10 0.00 0.13 -1.26 -3.99 119.36 120.69 2cqe n ILE 470 Ca -0.04 -0.46 -0.17 0.00 -1.10 0.00 0.00 62.75 60.97 2cqe n ILE 470 Cb 0.41 -1.39 -0.07 0.00 -0.84 0.00 0.00 39.64 37.75 2cqe n ILE 470 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2cqe n ASN 471 N 1.25 1.90 0.00 9.51 3.02 -1.26 -5.10 115.26 124.58 2cqe n ASN 471 Ca 0.02 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 2cqe n ASN 471 Cb 0.51 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2cqe n ASN 471 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cqe n GLY 472 N 1.42 2.09 0.27 7.41 0.00 -1.26 -4.97 105.19 110.15 2cqe n GLY 472 Ca -0.29 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.29 -2.13 1.61 2.03 -1.99 -1.28 116.42 114.38 2cqe h ASP 473 Ca 0.00 0.18 -0.78 0.00 -0.73 0.00 0.00 57.03 55.70 2cqe h ASP 473 Cb 0.00 0.31 -0.28 0.00 -0.83 0.00 0.00 39.33 38.53 2cqe h ASP 473 CO 0.00 -0.15 0.97 -0.90 -1.03 0.00 0.00 179.24 178.14 2cqe n ASP 474 N -5.31 7.31 -4.24 4.15 5.68 -1.26 -5.04 116.55 117.85 2cqe n ASP 474 Ca 0.13 -3.75 -0.38 0.00 -0.50 0.00 0.00 54.79 50.28 2cqe n ASP 474 Cb 0.45 -1.10 0.03 0.00 -1.14 0.00 0.00 41.12 39.35 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqe h MET 476 N -0.23 0.00 -6.20 0.00 -0.00 -1.96 -3.45 114.93 103.09 2cqe h MET 476 Ca -0.43 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.76 2cqe h MET 476 Cb 1.40 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.95 2cqe h MET 476 CO 0.39 0.00 -0.53 -0.06 -0.00 0.00 0.00 176.91 176.70 2cqe s PHE 477 N -3.28 3.12 0.33 -0.10 0.08 -1.26 -4.87 117.98 112.00 2cqe s PHE 477 Ca 0.06 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 2cqe s PHE 477 Cb 0.08 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 41.00 2cqe s PHE 477 CO 0.61 0.52 0.94 -1.12 -0.10 0.00 0.00 175.22 176.07 2cqe s SER 478 N -3.69 7.30 -0.38 1.36 0.01 -1.23 -4.83 113.70 112.24 2cqe s SER 478 Ca 0.32 1.82 0.06 0.00 1.31 0.00 0.00 55.95 59.46 2cqe s SER 478 Cb -0.08 -2.57 0.55 0.00 0.21 0.00 0.00 66.02 64.12 2cqe s SER 478 CO 0.25 -0.09 1.65 1.41 0.41 0.00 0.00 173.24 176.87 2cqe n HIS 479 N 0.47 2.06 -1.27 2.43 8.25 -1.26 -1.59 115.22 124.30 2cqe n HIS 479 Ca 0.02 -1.89 -0.32 0.00 -0.26 0.00 0.00 57.72 55.27 2cqe n HIS 479 Cb 0.50 -0.73 0.10 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.17 4.25 0.20 0.41 1.11 -1.26 -4.97 116.67 114.24 2cqe s ASP 480 Ca 0.51 2.02 -0.30 0.00 0.18 0.00 0.00 52.55 54.96 2cqe s ASP 480 Cb 0.44 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.80 2cqe s ASP 480 CO 0.03 -2.21 1.30 -2.16 1.18 0.00 0.00 175.17 173.32 2cqe s PRO 481 N -4.53 4.39 0.31 8.23 0.04 -1.26 -4.92 135.00 137.27 2cqe s PRO 481 Ca 0.65 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 2cqe s PRO 481 Cb -0.21 -3.20 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 2cqe s PRO 481 CO 0.52 -0.24 1.50 -0.51 0.04 0.00 0.00 177.00 178.31 2cqe s LEU 482 N -0.14 4.35 0.17 -3.56 1.43 -1.26 -5.02 118.68 114.65 2cqe s LEU 482 Ca 0.56 2.90 0.11 0.00 -1.03 0.00 0.00 54.13 56.67 2cqe s LEU 482 Cb -0.36 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 2cqe s LEU 482 CO 0.38 -0.82 -0.25 0.42 0.23 0.00 0.00 176.35 176.31 2cqe s THR 483 N -0.45 2.33 0.57 5.49 -4.23 -1.26 -4.89 115.64 113.21 2cqe s THR 483 Ca 0.58 -1.92 0.47 0.00 -1.18 0.00 0.00 61.69 59.64 2cqe s THR 483 Cb -0.45 -2.08 0.69 0.00 1.34 0.00 0.00 72.50 71.99 2cqe s THR 483 CO 0.52 -0.03 1.53 -0.08 -0.54 0.00 0.00 174.62 176.01 2cqe h GLU 484 N 3.47 0.00 0.00 3.99 4.81 -1.98 0.46 114.58 125.32 2cqe h GLU 484 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2cqe h GLU 484 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2cqe h GLU 484 CO 0.44 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.11 2cqe n GLU 485 N -3.82 0.00 -0.25 1.92 -0.58 -1.26 -3.94 120.64 112.72 2cqe n GLU 485 Ca 0.41 0.20 0.04 0.00 -0.42 0.00 0.00 57.16 57.39 2cqe n GLU 485 Cb 1.96 -0.69 0.14 0.00 -0.57 0.00 0.00 31.44 32.28 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2cqe h THR 486 N 0.00 0.36 -1.00 2.62 1.35 -1.80 0.11 112.91 114.56 2cqe h THR 486 Ca 0.00 -0.03 0.39 0.00 -0.55 0.00 0.00 66.41 66.22 2cqe h THR 486 Cb 0.00 0.26 -0.18 0.00 -1.73 0.00 0.00 68.15 66.50 2cqe h THR 486 CO 0.00 0.02 0.46 -0.09 -0.25 0.00 0.00 175.52 175.65 2cqe h ARG 487 N 0.10 0.02 -0.69 4.72 9.65 -0.30 1.46 114.38 129.33 2cqe h ARG 487 Ca 0.39 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.21 2cqe h ARG 487 Cb 0.67 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 2cqe h ARG 487 CO -0.65 0.01 0.19 1.49 2.80 0.00 0.00 179.97 183.82 2cqe h GLU 488 N 0.02 1.08 -0.05 0.20 4.22 -0.89 -3.20 114.58 115.97 2cqe h GLU 488 Ca 0.80 -0.24 0.01 0.00 0.08 0.00 0.00 59.36 60.01 2cqe h GLU 488 Cb 2.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 2cqe h GLU 488 CO -0.79 0.94 -0.14 -0.07 -2.18 0.00 0.00 179.01 176.78 2cqe h LEU 489 N 1.03 -0.44 -0.89 1.64 3.38 0.20 -2.46 115.31 117.78 2cqe h LEU 489 Ca 0.22 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2cqe h LEU 489 Cb 0.33 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 2cqe h LEU 489 CO -0.00 -0.12 -0.48 -0.07 0.09 0.00 0.00 178.44 177.85 2cqe h LEU 490 N -0.14 -1.76 -1.00 1.67 3.38 -1.58 0.59 115.31 116.48 2cqe h LEU 490 Ca 0.01 0.30 0.37 0.00 0.09 0.00 0.00 57.88 58.65 2cqe h LEU 490 Cb 0.17 0.82 -0.18 0.00 0.09 0.00 0.00 40.66 41.56 2cqe h LEU 490 CO -0.12 -0.28 0.35 0.47 0.09 0.00 0.00 178.44 178.95 2cqe n ASP 491 N -5.37 0.18 0.05 -0.43 8.00 -0.96 0.12 116.55 118.13 2cqe n ASP 491 Ca 0.05 1.67 -0.20 0.00 0.71 0.00 0.00 54.79 57.02 2cqe n ASP 491 Cb 0.33 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 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 0.30 0.45 -1.24 3.64 0.41 -3.12 116.57 117.01 2cqe h LYS 492 Ca 0.76 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2cqe h LYS 492 Cb 1.88 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 2cqe h LYS 492 CO -0.83 1.23 -0.48 1.98 -2.27 0.00 0.00 179.45 179.08 2cqe h MET 493 N -0.37 -0.91 0.07 1.90 4.05 0.27 -1.41 114.93 118.53 2cqe h MET 493 Ca -0.14 0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2cqe h MET 493 Cb 1.62 0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 32.58 2cqe h MET 493 CO 0.15 -0.61 -0.49 -0.07 0.23 0.00 0.00 176.91 176.12 2cqe h LEU 494 N -0.95 -1.50 -0.95 3.39 4.07 -0.54 0.22 115.31 119.06 2cqe h LEU 494 Ca -0.05 0.16 0.30 0.00 0.08 0.00 0.00 57.88 58.37 2cqe h LEU 494 Cb 0.84 0.56 -0.15 0.00 1.08 0.00 0.00 40.66 42.98 2cqe h LEU 494 CO -0.08 -0.50 0.37 0.00 -1.08 0.00 0.00 178.44 177.15 2cqe h ALA 495 N -0.58 1.63 0.53 1.53 0.00 -1.47 0.85 119.26 121.74 2cqe h ALA 495 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2cqe h ALA 495 Cb 0.69 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2cqe h ALA 495 CO -0.29 -0.58 -0.25 0.22 0.00 0.00 0.00 179.25 178.34 2cqe h ASP 496 N 0.20 -0.60 0.45 0.00 1.82 -0.09 -2.80 116.42 115.41 2cqe h ASP 496 Ca 0.66 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.29 2cqe h ASP 496 Cb 1.48 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 41.65 2cqe h ASP 496 CO -0.68 -0.19 -0.28 0.44 -1.61 0.00 0.00 179.24 176.92 2cqe h ASP 497 N -1.17 -0.70 -0.54 2.28 5.19 0.52 0.22 116.42 122.22 2cqe h ASP 497 Ca -0.07 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.42 2cqe h ASP 497 Cb 0.56 0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.21 2cqe h ASP 497 CO 0.12 -0.43 -0.32 0.00 -3.12 0.00 0.00 179.24 175.49 2cqe n ALA 498 N -2.45 -0.35 -0.27 3.45 0.00 0.28 0.09 120.51 121.26 2cqe n ALA 498 Ca -0.08 0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.81 2cqe n ALA 498 Cb 0.28 0.11 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 0.79 -4.44 0.00 4.57 -1.50 -3.26 114.58 110.74 2cqe h GLU 499 Ca 0.09 -0.05 -0.69 0.00 -1.18 0.00 0.00 59.36 57.53 2cqe h GLU 499 Cb 0.22 -0.18 -0.35 0.00 -0.16 0.00 0.00 28.75 28.28 2cqe h GLU 499 CO -0.51 0.52 -0.56 0.00 -1.18 0.00 0.00 179.01 177.29 2cqe s ALA 500 N -6.08 3.15 0.00 2.92 0.00 0.11 -4.79 121.76 117.08 2cqe s ALA 500 Ca -0.13 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.24 2cqe s ALA 500 Cb 0.17 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2cqe s ALA 500 CO 0.77 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2cqe n GLY 501 N 4.46 1.48 2.78 0.00 0.00 -0.96 -4.19 105.19 108.77 2cqe n GLY 501 Ca -0.01 -0.28 -0.51 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -0.55 -0.81 4.61 0.00 -1.23 -4.73 120.51 117.79 2cqe n ALA 502 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.65 2cqe n ALA 502 Cb 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 19.45 17.82 2cqe n ALA 502 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cqe n GLU 503 N 4.28 1.59 -4.50 0.00 4.71 -1.26 -4.73 120.64 120.73 2cqe n GLU 503 Ca 0.32 -0.71 -0.42 0.00 -0.01 0.00 0.00 57.16 56.34 2cqe n GLU 503 Cb -0.04 -1.56 -0.07 0.00 -1.01 0.00 0.00 31.44 28.76 2cqe n GLU 503 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2cqe n ASP 504 N 1.79 -1.88 -4.73 1.62 9.92 -1.26 -4.84 116.55 117.17 2cqe n ASP 504 Ca 0.24 -1.22 -0.41 0.00 -0.53 0.00 0.00 54.79 52.87 2cqe n ASP 504 Cb 0.69 -1.73 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 2cqe n ASP 504 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2cqe s GLU 505 N -7.22 4.52 0.07 -1.24 2.56 -1.26 -5.04 118.70 111.09 2cqe s GLU 505 Ca 0.79 1.79 0.04 0.00 0.00 0.00 0.00 54.97 57.59 2cqe s GLU 505 Cb -0.46 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.35 2cqe s GLU 505 CO 1.02 -0.05 0.01 -1.59 -0.56 0.00 0.00 175.26 174.08 2cqe s LYS 506 N -0.04 2.63 0.17 4.30 -2.85 -1.26 -5.06 119.74 117.63 2cqe s LYS 506 Ca 0.52 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 2cqe s LYS 506 Cb -0.31 -2.59 -0.17 0.00 -2.06 0.00 0.00 37.83 32.70 2cqe s LYS 506 CO 0.34 0.56 0.60 -1.91 0.10 0.00 0.00 175.35 175.05 2cqe n GLU 507 N 0.72 0.00 -1.37 1.78 4.07 -1.26 -4.89 120.64 119.69 2cqe n GLU 507 Ca -0.11 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 56.93 2cqe n GLU 507 Cb 0.52 -1.07 0.11 0.00 -0.06 0.00 0.00 31.44 30.94 2cqe n GLU 507 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2cqe n VAL 508 N 0.24 2.10 -3.77 6.31 3.14 -1.26 -5.05 118.33 120.04 2cqe n VAL 508 Ca 0.18 -3.43 0.00 0.00 -2.96 0.00 0.00 64.34 58.13 2cqe n VAL 508 Cb 0.22 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.61 2cqe n VAL 508 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2cqe s GLU 509 N -3.17 0.71 -0.41 1.45 -1.05 -1.26 -5.12 118.70 109.85 2cqe s GLU 509 Ca 0.42 -0.42 -0.28 0.00 -0.15 0.00 0.00 54.97 54.54 2cqe s GLU 509 Cb 0.38 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2cqe s GLU 509 CO -0.03 -0.33 1.04 -1.21 0.95 0.00 0.00 175.26 175.68 2cqe s GLU 510 N -2.45 3.80 -0.04 -4.83 2.02 -1.26 -4.91 118.70 111.04 2cqe s GLU 510 Ca 0.18 0.63 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 2cqe s GLU 510 Cb 0.01 -3.84 -0.01 0.00 0.10 0.00 0.00 34.13 30.39 2cqe s GLU 510 CO -0.00 -1.14 2.23 1.47 0.02 0.00 0.00 175.26 177.84 2cqe n LEU 511 N 7.24 5.47 -3.39 1.80 -0.00 -1.26 -4.68 117.00 122.19 2cqe n LEU 511 Ca 0.10 -2.64 -0.21 0.00 -0.00 0.00 0.00 56.01 53.26 2cqe n LEU 511 Cb 0.48 -1.16 0.08 0.00 -0.00 0.00 0.00 43.42 42.82 2cqe n LEU 511 CO 0.64 1.14 0.20 0.29 -0.00 0.00 0.00 177.39 179.66 2cqe n LYS 512 N 1.50 -7.23 -0.18 1.47 5.02 -1.26 -4.86 118.16 112.61 2cqe n LYS 512 Ca 0.10 0.79 0.23 0.00 -2.02 0.00 0.00 58.31 57.40 2cqe n LYS 512 Cb 0.57 -5.69 0.62 0.00 -0.02 0.00 0.00 35.03 30.50 2cqe n LYS 512 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2cqe h LYS 513 N -2.37 0.19 -4.20 1.97 5.09 -1.98 -3.33 116.57 111.95 2cqe h LYS 513 Ca -0.54 -0.01 -0.75 0.00 0.09 0.00 0.00 60.65 59.44 2cqe h LYS 513 Cb 1.34 -0.04 -0.24 0.00 0.10 0.00 0.00 32.23 33.39 2cqe h LYS 513 CO 0.51 0.13 -0.29 0.45 -2.09 0.00 0.00 179.45 178.17 2cqe s SER 514 N -5.72 6.11 0.00 7.07 0.15 -1.26 -4.83 113.70 115.22 2cqe s SER 514 Ca -0.07 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2cqe s SER 514 Cb 0.22 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2cqe s SER 514 CO 0.77 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2cqe n GLY 515 N 5.19 -0.98 3.77 9.45 0.00 -1.25 -5.15 105.19 116.22 2cqe n GLY 515 Ca -0.13 0.64 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 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 1.08 3.14 0.15 1.61 0.04 -1.26 -4.94 135.00 134.82 2cqe s PRO 516 Ca 0.00 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.25 2cqe s PRO 516 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 2cqe s PRO 516 CO 0.00 -1.00 1.80 -1.13 0.04 0.00 0.00 177.00 176.71 2cqe n SER 517 N -1.73 4.01 -4.64 6.66 3.41 -1.26 -4.86 113.62 115.21 2cqe n SER 517 Ca 0.11 1.01 -0.46 0.00 -0.26 0.00 0.00 58.87 59.27 2cqe n SER 517 Cb 0.51 -1.55 -0.04 0.00 -0.26 0.00 0.00 64.21 62.87 2cqe n SER 517 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cqe n SER 518 N 5.09 3.50 0.00 4.04 7.64 -1.26 -5.26 113.62 127.37 2cqe n SER 518 Ca 0.17 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2cqe n SER 518 Cb 0.36 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2cqe n SER 518 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64