#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 4.31 1.31 1.61 0.01 -1.26 -5.11 113.70 114.57 2cqe s SER 423 Ca 0.00 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 56.84 2cqe s SER 423 Cb 0.00 -1.60 0.31 0.00 0.21 0.00 0.00 66.02 64.95 2cqe s SER 423 CO 0.00 0.19 0.80 -1.54 0.41 0.00 0.00 173.24 173.10 2cqe n SER 424 N 3.37 -3.12 -4.40 2.44 3.41 -1.26 -5.05 113.62 109.02 2cqe n SER 424 Ca -0.18 -0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 57.70 2cqe n SER 424 Cb 0.53 -1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.31 2cqe n SER 424 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqe s GLY 425 N -2.62 1.80 0.09 5.00 0.00 -1.26 -5.16 107.32 105.16 2cqe s GLY 425 Ca 0.64 -1.90 0.04 0.00 0.00 0.00 0.00 44.72 43.51 2cqe s GLY 425 CO 0.59 -1.77 -0.11 -1.35 0.00 0.00 0.00 173.10 170.46 2cqe s SER 426 N -3.40 1.52 -0.19 1.64 1.04 -1.26 -5.08 113.70 107.96 2cqe s SER 426 Ca 0.31 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 2cqe s SER 426 Cb 0.06 -0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 2cqe s SER 426 CO 0.12 -0.20 -0.29 -1.20 0.98 0.00 0.00 173.24 172.65 2cqe n SER 427 N 0.80 1.91 -3.49 7.02 7.64 -1.26 -5.04 113.62 121.19 2cqe n SER 427 Ca -0.18 0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 2cqe n SER 427 Cb 0.57 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2cqe n SER 427 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqe n GLY 428 N 1.46 -1.26 3.62 0.23 0.00 -1.26 -4.98 105.19 103.00 2cqe n GLY 428 Ca -0.19 0.54 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.26 2.95 0.21 1.61 2.02 -1.26 -5.12 118.70 114.85 2cqe s GLU 429 Ca 0.04 -0.48 0.08 0.00 0.02 0.00 0.00 54.97 54.63 2cqe s GLU 429 Cb -0.01 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2cqe s GLU 429 CO 0.84 0.64 0.01 -0.51 0.02 0.00 0.00 175.26 176.25 2cqe s LEU 430 N -0.72 3.28 0.00 1.80 1.02 -1.26 -5.00 118.68 117.80 2cqe s LEU 430 Ca 0.11 -0.48 0.11 0.00 0.02 0.00 0.00 54.13 53.89 2cqe s LEU 430 Cb -0.11 -1.89 0.68 0.00 0.02 0.00 0.00 46.19 44.89 2cqe s LEU 430 CO 0.02 0.05 1.12 -0.81 0.02 0.00 0.00 176.35 176.75 2cqe n PRO 431 N -0.44 0.48 -3.41 1.29 -0.04 -1.26 -4.69 135.00 126.93 2cqe n PRO 431 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 2cqe n PRO 431 Cb 0.57 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 2cqe n PRO 431 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2cqe s LYS 432 N -2.00 4.27 0.36 0.54 -0.14 -1.26 -5.07 119.74 116.43 2cqe s LYS 432 Ca 0.17 0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 54.91 2cqe s LYS 432 Cb 0.08 -3.46 -0.08 0.00 -1.68 0.00 0.00 37.83 32.69 2cqe s LYS 432 CO 0.13 0.13 0.75 0.15 -0.76 0.00 0.00 175.35 175.75 2cqe s LYS 433 N 0.77 3.90 -0.37 1.68 1.02 -0.51 -5.01 119.74 121.23 2cqe s LYS 433 Ca 0.21 0.58 0.08 0.00 0.02 0.00 0.00 55.97 56.86 2cqe s LYS 433 Cb -0.14 -2.41 0.44 0.00 -0.52 0.00 0.00 37.83 35.20 2cqe s LYS 433 CO 0.07 0.07 1.12 0.54 -0.92 0.00 0.00 175.35 176.23 2cqe n ARG 434 N -0.76 3.11 -4.24 1.68 3.00 -1.26 -4.19 116.66 114.00 2cqe n ARG 434 Ca 0.03 -4.19 -0.24 0.00 -0.01 0.00 0.00 57.85 53.43 2cqe n ARG 434 Cb 0.53 -2.10 -0.08 0.00 0.00 0.00 0.00 32.46 30.82 2cqe n ARG 434 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2cqe s GLU 435 N -3.53 2.19 -0.22 5.56 0.41 -1.26 -4.82 118.70 117.02 2cqe s GLU 435 Ca 0.45 -1.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 2cqe s GLU 435 Cb 0.40 -2.01 -0.02 0.00 -1.78 0.00 0.00 34.13 30.73 2cqe s GLU 435 CO -0.08 0.09 1.50 -1.17 -0.49 0.00 0.00 175.26 175.10 2cqe s LEU 436 N -3.78 3.96 0.12 1.80 2.96 -1.26 -0.84 118.68 121.63 2cqe s LEU 436 Ca 0.37 1.57 -0.31 0.00 -0.22 0.00 0.00 54.13 55.53 2cqe s LEU 436 Cb -0.00 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 2cqe s LEU 436 CO 0.21 -1.13 1.83 0.00 -1.32 0.00 0.00 176.35 175.94 2cqe n LYS 438 N 5.68 0.20 -0.11 0.00 2.85 -1.26 -2.97 118.16 122.54 2cqe n LYS 438 Ca 0.18 0.13 -0.19 0.00 -1.05 0.00 0.00 58.31 57.38 2cqe n LYS 438 Cb 0.38 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.20 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2cqe n PHE 439 N -1.19 0.00 -0.40 5.58 3.72 -1.26 -4.46 117.46 119.44 2cqe n PHE 439 Ca 0.06 0.00 0.33 0.00 -0.05 0.00 0.00 57.45 57.78 2cqe n PHE 439 Cb 0.06 -0.73 0.60 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.00 0.58 -1.10 1.38 3.20 -1.78 0.34 116.97 118.60 2cqe h TYR 440 Ca -0.33 0.02 0.36 0.00 3.14 0.00 0.00 58.73 61.93 2cqe h TYR 440 Cb 1.28 -0.15 -0.14 0.00 1.54 0.00 0.00 36.73 39.26 2cqe h TYR 440 CO -0.27 -0.15 0.66 0.82 -1.64 0.00 0.00 178.16 177.58 2cqe h ILE 441 N 0.17 0.23 0.00 1.81 2.04 -1.77 -1.00 117.51 118.99 2cqe h ILE 441 Ca 0.76 -0.07 -0.38 0.00 1.00 0.00 0.00 64.86 66.17 2cqe h ILE 441 Cb 2.25 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 2cqe h ILE 441 CO -0.41 0.04 -2.43 1.07 0.00 0.00 0.00 178.15 176.43 2cqe n THR 442 N -4.93 1.44 0.00 -0.27 5.66 0.11 -5.01 114.28 111.28 2cqe n THR 442 Ca 0.34 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2cqe n THR 442 Cb 1.15 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2cqe n THR 442 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqe n GLY 443 N 2.00 1.45 3.32 1.09 0.00 -0.38 -5.07 105.19 107.61 2cqe n GLY 443 Ca -0.39 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 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 3.43 -0.29 1.61 2.19 -1.24 -4.89 117.98 116.79 2cqe s PHE 444 Ca 0.00 -1.55 -0.00 0.00 0.33 0.00 0.00 56.93 55.71 2cqe s PHE 444 Cb 0.00 -3.82 0.09 0.00 -1.31 0.00 0.00 43.02 37.98 2cqe s PHE 444 CO 0.00 -1.02 0.07 0.00 1.83 0.00 0.00 175.22 176.10 2cqe n ALA 446 N 4.80 0.00 -1.96 0.00 0.00 -1.26 -3.11 120.51 118.98 2cqe n ALA 446 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2cqe n ALA 446 Cb 0.43 0.36 -0.07 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 -1.88 2.23 -0.10 0.00 0.52 -1.26 -4.71 118.95 113.75 2cqe s ARG 447 Ca 0.00 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.34 2cqe s ARG 447 Cb 0.00 -5.14 -0.07 0.00 0.52 0.00 0.00 34.95 30.26 2cqe s ARG 447 CO 0.00 -4.16 0.28 0.00 0.02 0.00 0.00 175.30 171.45 2cqe h ALA 448 N 10.51 -0.07 0.00 2.13 0.00 -1.97 -2.00 119.26 127.87 2cqe h ALA 448 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cqe h ALA 448 Cb 0.96 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2cqe h ALA 448 CO 1.17 -0.07 0.00 -1.91 0.00 0.00 0.00 179.25 178.45 2cqe n GLU 449 N -4.79 0.67 -2.29 0.00 2.13 -1.26 -3.17 120.64 111.94 2cqe n GLU 449 Ca -0.03 0.02 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 2cqe n GLU 449 Cb 0.14 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.40 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 -1.10 2.12 -4.60 4.31 3.02 -1.25 -5.06 115.26 112.70 2cqe n ASN 450 Ca 0.17 -2.47 -0.43 0.00 -0.03 0.00 0.00 54.58 51.82 2cqe n ASN 450 Cb 0.13 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 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 7.60 0.36 -3.12 0.00 -0.04 -1.26 -4.75 135.00 133.80 2cqe n PRO 452 Ca 0.11 0.06 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 2cqe n PRO 452 Cb 0.49 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.12 -1.07 -3.92 0.54 4.02 -1.26 -1.43 117.16 112.92 2cqe n TYR 453 Ca 0.10 -1.71 -0.32 0.00 -0.01 0.00 0.00 57.90 55.95 2cqe n TYR 453 Cb 0.08 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.01 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 -3.73 3.42 0.00 -0.72 -1.94 -0.02 -4.91 119.30 111.40 2cqe s MET 454 Ca 0.27 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2cqe s MET 454 Cb -0.02 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.76 2cqe s MET 454 CO 0.17 0.65 0.00 0.72 -0.01 0.00 0.00 175.02 176.54 2cqe n HIS 455 N 0.67 0.00 -0.02 -0.03 8.25 -1.26 -3.12 115.22 119.70 2cqe n HIS 455 Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2cqe n HIS 455 Cb 0.52 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.64 2cqe n HIS 455 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2cqe h GLY 456 N 0.00 0.00 -0.78 -1.41 0.00 -1.96 -3.35 103.07 95.57 2cqe h GLY 456 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.65 2cqe h GLY 456 CO 0.00 0.00 0.44 1.22 0.00 0.00 0.00 176.54 178.20 2cqe n ASP 457 N -3.19 0.24 -4.66 0.19 8.00 -1.26 -2.72 116.55 113.15 2cqe n ASP 457 Ca -0.00 1.19 -0.52 0.00 0.71 0.00 0.00 54.79 56.17 2cqe n ASP 457 Cb 0.01 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 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 -4.59 1.97 -2.25 1.24 7.35 -1.26 -4.68 117.46 115.24 2cqe n PHE 458 Ca 0.28 0.43 -0.40 0.00 -0.76 0.00 0.00 57.45 57.00 2cqe n PHE 458 Cb 0.98 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 38.32 2cqe n PHE 458 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cqe s PRO 459 N 2.32 4.35 0.37 -7.13 0.04 -1.26 -2.22 135.00 131.46 2cqe s PRO 459 Ca 0.90 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.68 2cqe s PRO 459 Cb -0.91 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 30.54 2cqe s PRO 459 CO 0.53 -0.12 1.32 0.00 0.04 0.00 0.00 177.00 178.77 2cqe h LYS 461 N 3.06 -0.04 -0.55 0.00 3.64 -1.94 -3.34 116.57 117.41 2cqe h LYS 461 Ca -0.49 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 2cqe h LYS 461 Cb 1.24 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.96 2cqe h LYS 461 CO 0.64 -0.03 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.29 2cqe h LEU 462 N -0.33 -1.49 -1.02 5.20 3.38 -1.94 0.67 115.31 119.78 2cqe h LEU 462 Ca -0.00 0.24 0.27 0.00 0.09 0.00 0.00 57.88 58.47 2cqe h LEU 462 Cb 0.03 0.67 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2cqe h LEU 462 CO 0.01 -0.34 1.16 0.22 0.09 0.00 0.00 178.44 179.58 2cqe h TYR 463 N -0.25 0.00 0.00 1.13 3.20 -1.74 0.00 116.97 119.31 2cqe h TYR 463 Ca 0.17 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.75 2cqe h TYR 463 Cb 0.57 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2cqe h TYR 463 CO -0.70 0.00 -1.95 0.72 -1.64 0.00 0.00 178.16 174.60 2cqe n HIS 464 N -3.21 0.00 -0.18 -3.82 8.25 0.20 -1.85 115.22 114.61 2cqe n HIS 464 Ca 0.20 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.82 2cqe n HIS 464 Cb 1.44 -0.79 0.29 0.00 1.12 0.00 0.00 29.99 32.05 2cqe n HIS 464 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cqe n THR 465 N -4.29 -0.23 0.00 1.59 -2.24 0.66 -2.70 114.28 107.07 2cqe n THR 465 Ca -0.39 1.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.54 2cqe n THR 465 Cb 0.74 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 -4.34 0.00 0.00 4.28 -2.24 -1.02 -5.07 114.28 105.90 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 0.66 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.27 3.79 3.70 3.38 0.00 -0.77 -5.08 105.19 112.49 2cqe n GLY 467 Ca 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2cqe n GLY 467 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cqe s ASN 468 N -0.04 5.30 -0.04 1.61 2.47 -1.23 -4.57 114.94 118.44 2cqe s ASN 468 Ca 0.00 0.09 -0.04 0.00 0.42 0.00 0.00 52.86 53.34 2cqe s ASN 468 Cb 0.00 -1.46 -0.04 0.00 -1.45 0.00 0.00 41.25 38.30 2cqe s ASN 468 CO 0.00 0.32 0.16 0.00 -3.72 0.00 0.00 177.10 173.86 2cqe h ILE 470 N 3.16 1.33 0.23 0.00 6.09 -1.99 -3.29 117.51 123.03 2cqe h ILE 470 Ca -0.50 -1.88 0.00 0.00 -1.37 0.00 0.00 64.86 61.11 2cqe h ILE 470 Cb 1.20 1.85 -0.04 0.00 0.47 0.00 0.00 36.82 40.30 2cqe h ILE 470 CO 0.65 0.58 -0.53 0.78 -3.07 0.00 0.00 178.15 176.57 2cqe h ASN 471 N 0.42 -1.55 0.00 2.19 2.35 -1.98 -3.49 115.58 113.53 2cqe h ASN 471 Ca -0.01 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2cqe h ASN 471 Cb 1.17 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.10 2cqe h ASN 471 CO 0.11 -0.59 0.00 0.61 -1.65 0.00 0.00 177.43 175.91 2cqe n GLY 472 N -1.51 0.56 0.17 2.83 0.00 -1.24 -4.74 105.19 101.26 2cqe n GLY 472 Ca -0.10 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.88 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 3.32 -1.94 -3.14 116.42 114.85 2cqe h ASP 473 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2cqe h ASP 473 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 2cqe h ASP 473 CO 0.00 0.45 0.84 0.47 -1.72 0.00 0.00 179.24 179.28 2cqe n ASP 474 N -3.65 7.43 -4.78 6.45 8.00 -1.26 -5.01 116.55 123.74 2cqe n ASP 474 Ca -0.01 -3.81 -0.36 0.00 0.71 0.00 0.00 54.79 51.32 2cqe n ASP 474 Cb 0.54 -0.97 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqe n MET 476 N -0.26 1.10 -4.27 0.00 0.00 -1.26 -4.79 117.12 107.65 2cqe n MET 476 Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 57.70 57.48 2cqe n MET 476 Cb 0.49 -1.40 -0.11 0.00 0.00 0.00 0.00 33.22 32.21 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 -1.28 1.51 -0.05 3.17 0.08 -1.26 -4.74 117.98 115.40 2cqe s PHE 477 Ca 0.02 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 2cqe s PHE 477 Cb 0.01 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 2cqe s PHE 477 CO 0.01 0.19 1.06 -1.12 -0.10 0.00 0.00 175.22 175.26 2cqe s SER 478 N -2.51 7.22 -0.22 1.36 0.01 -0.94 -4.80 113.70 113.81 2cqe s SER 478 Ca 0.11 1.66 0.15 0.00 1.31 0.00 0.00 55.95 59.18 2cqe s SER 478 Cb -0.05 -2.56 0.81 0.00 0.21 0.00 0.00 66.02 64.43 2cqe s SER 478 CO 0.04 -0.43 1.74 1.41 0.41 0.00 0.00 173.24 176.41 2cqe n HIS 479 N 4.68 2.01 -1.26 2.43 8.25 -1.26 -0.77 115.22 129.31 2cqe n HIS 479 Ca 0.09 -0.71 -0.34 0.00 -0.26 0.00 0.00 57.72 56.49 2cqe n HIS 479 Cb 0.49 -0.48 0.11 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.81 3.87 -0.19 0.41 1.01 -1.26 -4.91 116.67 114.79 2cqe s ASP 480 Ca 0.54 2.36 -0.29 0.00 0.71 0.00 0.00 52.55 55.88 2cqe s ASP 480 Cb 0.41 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 2cqe s ASP 480 CO 0.17 -2.48 1.59 -2.16 0.21 0.00 0.00 175.17 172.50 2cqe s PRO 481 N -4.04 3.90 0.05 8.23 0.04 -1.26 -4.92 135.00 137.00 2cqe s PRO 481 Ca 0.74 1.74 -0.37 0.00 0.04 0.00 0.00 61.00 63.15 2cqe s PRO 481 Cb -0.29 -4.00 -0.19 0.00 0.04 0.00 0.00 34.50 30.06 2cqe s PRO 481 CO 0.48 -1.17 0.96 1.28 0.04 0.00 0.00 177.00 178.59 2cqe n LEU 482 N 8.07 -0.17 -4.73 -3.56 4.77 -1.26 -4.96 117.00 115.16 2cqe n LEU 482 Ca 0.18 1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 57.07 2cqe n LEU 482 Cb 0.45 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 2cqe n LEU 482 CO 0.64 -2.10 -0.18 0.42 -1.33 0.00 0.00 177.39 174.83 2cqe s THR 483 N -0.21 2.69 0.50 -5.08 -4.23 -1.26 -4.86 115.64 103.18 2cqe s THR 483 Ca 0.84 -1.71 0.29 0.00 -1.18 0.00 0.00 61.69 59.93 2cqe s THR 483 Cb -1.17 -2.96 0.48 0.00 1.34 0.00 0.00 72.50 70.19 2cqe s THR 483 CO 0.56 -0.11 1.83 1.05 -0.54 0.00 0.00 174.62 177.41 2cqe h GLU 484 N 1.50 0.12 0.00 3.99 4.11 -1.98 0.67 114.58 123.00 2cqe h GLU 484 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2cqe h GLU 484 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2cqe h GLU 484 CO 0.66 0.08 0.00 0.39 0.07 0.00 0.00 179.01 180.21 2cqe n GLU 485 N -4.34 0.00 -0.37 1.06 -0.58 -1.26 -3.95 120.64 111.20 2cqe n GLU 485 Ca 0.23 0.14 0.28 0.00 -0.42 0.00 0.00 57.16 57.39 2cqe n GLU 485 Cb 1.02 -0.62 0.55 0.00 -0.57 0.00 0.00 31.44 31.83 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 0.33 -0.96 2.62 1.35 -1.95 0.33 112.91 114.63 2cqe h THR 486 Ca 0.00 -0.09 0.23 0.00 -0.55 0.00 0.00 66.41 66.00 2cqe h THR 486 Cb 0.00 0.04 -0.12 0.00 -1.73 0.00 0.00 68.15 66.34 2cqe h THR 486 CO 0.00 0.05 0.53 -0.09 -0.25 0.00 0.00 175.52 175.76 2cqe h ARG 487 N 0.27 0.53 -0.39 4.72 9.65 0.19 0.65 114.38 130.00 2cqe h ARG 487 Ca 0.71 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.55 2cqe h ARG 487 Cb 1.93 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.37 2cqe h ARG 487 CO -0.40 0.35 0.22 1.49 2.80 0.00 0.00 179.97 184.42 2cqe h GLU 488 N 0.54 0.54 -0.26 0.20 4.57 -0.46 -3.21 114.58 116.50 2cqe h GLU 488 Ca 0.61 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.75 2cqe h GLU 488 Cb 1.13 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 2cqe h GLU 488 CO -0.48 0.43 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.54 2cqe h LEU 489 N 0.50 -0.63 -0.92 1.64 3.38 -0.91 -1.39 115.31 116.98 2cqe h LEU 489 Ca 0.14 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.29 2cqe h LEU 489 Cb 0.05 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 2cqe h LEU 489 CO -0.02 -0.08 -0.57 -0.07 0.09 0.00 0.00 178.44 177.79 2cqe h LEU 490 N -0.03 -2.06 -0.99 1.67 3.38 -1.56 0.67 115.31 116.40 2cqe h LEU 490 Ca 0.04 0.32 0.39 0.00 0.09 0.00 0.00 57.88 58.72 2cqe h LEU 490 Cb 0.14 0.91 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 2cqe h LEU 490 CO -0.26 -0.26 0.44 0.47 0.09 0.00 0.00 178.44 178.93 2cqe n ASP 491 N -5.29 0.26 -0.07 -0.43 8.00 -0.57 0.91 116.55 119.37 2cqe n ASP 491 Ca 0.02 1.64 -0.13 0.00 0.71 0.00 0.00 54.79 57.03 2cqe n ASP 491 Cb 0.28 -0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.00 0.59 -1.24 1.63 0.65 -3.16 116.57 115.04 2cqe h LYS 492 Ca 0.80 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.57 2cqe h LYS 492 Cb 2.04 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.67 2cqe h LYS 492 CO -0.79 0.92 -0.36 1.98 -3.45 0.00 0.00 179.45 177.75 2cqe h MET 493 N -0.98 -0.86 0.00 1.90 4.05 0.24 -1.89 114.93 117.39 2cqe h MET 493 Ca -0.00 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2cqe h MET 493 Cb 0.93 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2cqe h MET 493 CO 0.00 -0.57 0.00 1.28 0.23 0.00 0.00 176.91 177.85 2cqe n LEU 494 N -4.67 0.00 -0.28 3.39 4.77 0.26 -0.60 117.00 119.86 2cqe n LEU 494 Ca -0.11 0.81 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 2cqe n LEU 494 Cb 0.37 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 2cqe n LEU 494 CO 0.26 -0.31 0.64 0.00 -1.33 0.00 0.00 177.39 176.65 2cqe n ALA 495 N -2.01 0.39 0.15 -1.18 0.00 -1.19 0.77 120.51 117.44 2cqe n ALA 495 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 53.44 54.18 2cqe n ALA 495 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 2cqe n ALA 495 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cqe h ASP 496 N 0.00 -0.41 0.33 0.00 3.32 -0.37 -1.71 116.42 117.58 2cqe h ASP 496 Ca 0.48 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 2cqe h ASP 496 Cb 0.97 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2cqe h ASP 496 CO -0.78 -0.25 -0.16 -0.78 -1.72 0.00 0.00 179.24 175.55 2cqe h ASP 497 N -0.39 -0.38 -0.44 6.45 3.58 0.28 -3.13 116.42 122.39 2cqe h ASP 497 Ca -0.01 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2cqe h ASP 497 Cb 0.34 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2cqe h ASP 497 CO -0.00 -0.23 -0.26 0.00 -2.88 0.00 0.00 179.24 175.87 2cqe n ALA 498 N -2.29 -0.28 -0.31 -0.78 0.00 0.72 -0.23 120.51 117.34 2cqe n ALA 498 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2cqe n ALA 498 Cb 0.18 0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.83 2cqe n ALA 498 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cqe n GLU 499 N -3.99 -0.17 -0.71 0.00 0.00 -0.64 0.20 120.64 115.33 2cqe n GLU 499 Ca 0.01 1.24 -0.08 0.00 0.00 0.00 0.00 57.16 58.33 2cqe n GLU 499 Cb 0.11 -1.84 0.01 0.00 0.00 0.00 0.00 31.44 29.72 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 -3.59 4.63 0.00 4.31 0.00 0.68 -4.61 120.51 121.92 2cqe n ALA 500 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2cqe n ALA 500 Cb 0.33 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.04 2.27 3.63 0.00 0.00 0.55 -4.99 105.19 107.68 2cqe n GLY 501 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -2.01 -0.49 4.61 0.00 -1.04 -4.03 121.76 118.80 2cqe s ALA 502 Ca 0.00 2.37 0.03 0.00 0.00 0.00 0.00 51.96 54.36 2cqe s ALA 502 Cb 0.00 -1.60 0.14 0.00 0.00 0.00 0.00 23.12 21.66 2cqe s ALA 502 CO 0.00 -0.60 0.30 -1.21 0.00 0.00 0.00 175.76 174.25 2cqe s GLU 503 N 2.09 1.55 0.69 0.00 0.41 -1.26 -5.06 118.70 117.13 2cqe s GLU 503 Ca -0.08 -2.34 -0.05 0.00 -0.41 0.00 0.00 54.97 52.08 2cqe s GLU 503 Cb -0.07 -2.57 0.07 0.00 -1.78 0.00 0.00 34.13 29.77 2cqe s GLU 503 CO -0.19 -1.20 0.99 0.34 -0.49 0.00 0.00 175.26 174.71 2cqe s ASP 504 N -0.09 4.76 0.02 -0.19 2.15 -1.26 -5.11 116.67 116.95 2cqe s ASP 504 Ca 0.20 0.28 0.05 0.00 0.43 0.00 0.00 52.55 53.51 2cqe s ASP 504 Cb -0.18 -0.92 -0.02 0.00 -0.30 0.00 0.00 42.92 41.51 2cqe s ASP 504 CO -0.05 -1.61 -0.14 -0.70 -0.17 0.00 0.00 175.17 172.50 2cqe s GLU 505 N -5.19 1.03 0.33 4.34 2.56 -1.26 -5.11 118.70 115.40 2cqe s GLU 505 Ca 0.61 -0.66 -0.15 0.00 0.00 0.00 0.00 54.97 54.77 2cqe s GLU 505 Cb -0.10 -1.03 -0.11 0.00 2.00 0.00 0.00 34.13 34.89 2cqe s GLU 505 CO 0.44 0.27 0.01 0.36 -0.56 0.00 0.00 175.26 175.77 2cqe n LYS 506 N 2.24 0.00 -2.47 4.30 2.85 -1.26 -4.91 118.16 118.90 2cqe n LYS 506 Ca -0.16 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.81 2cqe n LYS 506 Cb 0.55 -0.74 -0.00 0.00 -0.65 0.00 0.00 35.03 34.18 2cqe n LYS 506 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2cqe s GLU 507 N -0.74 3.57 -0.24 -1.58 2.12 -1.26 -5.07 118.70 115.49 2cqe s GLU 507 Ca 0.44 0.35 0.01 0.00 0.36 0.00 0.00 54.97 56.12 2cqe s GLU 507 Cb -0.44 -2.31 0.04 0.00 0.26 0.00 0.00 34.13 31.69 2cqe s GLU 507 CO 0.48 -0.28 -0.10 0.54 -0.54 0.00 0.00 175.26 175.36 2cqe s VAL 508 N -2.82 2.47 0.55 3.70 0.11 -1.26 -5.11 120.40 118.04 2cqe s VAL 508 Ca 0.49 -1.27 0.09 0.00 -2.93 0.00 0.00 61.98 58.37 2cqe s VAL 508 Cb -0.10 -2.30 0.07 0.00 -1.53 0.00 0.00 36.38 32.52 2cqe s VAL 508 CO 0.46 0.15 0.72 -1.61 -3.33 0.00 0.00 175.10 171.49 2cqe s GLU 509 N 1.23 2.35 0.00 1.54 8.01 -1.26 -5.10 118.70 125.47 2cqe s GLU 509 Ca -0.03 -1.65 0.00 0.00 0.01 0.00 0.00 54.97 53.30 2cqe s GLU 509 Cb -0.17 -2.58 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 2cqe s GLU 509 CO -0.06 -0.76 0.00 0.39 0.01 0.00 0.00 175.26 174.84 2cqe n GLU 510 N -2.13 0.00 -3.17 1.61 1.02 -1.26 -4.91 120.64 111.79 2cqe n GLU 510 Ca 0.13 0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 57.25 2cqe n GLU 510 Cb 0.62 -0.60 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 2cqe n GLU 510 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2cqe n LEU 511 N -1.37 -1.03 -0.02 -4.62 4.32 -1.26 -4.74 117.00 108.29 2cqe n LEU 511 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 2cqe n LEU 511 Cb 0.00 -1.79 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 2cqe n LEU 511 CO 0.00 0.07 0.35 0.29 -1.22 0.00 0.00 177.39 176.88 2cqe n LYS 512 N -3.34 1.16 -1.69 3.23 4.76 -1.26 -5.08 118.16 115.95 2cqe n LYS 512 Ca -0.01 -0.95 -0.44 0.00 -2.87 0.00 0.00 58.31 54.03 2cqe n LYS 512 Cb 0.53 -0.71 -0.03 0.00 -1.84 0.00 0.00 35.03 32.98 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2cqe n LYS 513 N -0.23 2.32 -4.02 1.97 4.81 -1.26 -4.98 118.16 116.78 2cqe n LYS 513 Ca 0.00 0.83 -0.13 0.00 -0.87 0.00 0.00 58.31 58.15 2cqe n LYS 513 Cb 0.42 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 32.85 2cqe n LYS 513 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2cqe s SER 514 N 0.71 0.58 -0.32 3.14 0.01 -1.26 -5.14 113.70 111.41 2cqe s SER 514 Ca 0.73 -1.33 -0.09 0.00 1.31 0.00 0.00 55.95 56.57 2cqe s SER 514 Cb -0.61 0.68 0.21 0.00 0.21 0.00 0.00 66.02 66.51 2cqe s SER 514 CO 0.42 -1.34 1.12 -0.83 0.41 0.00 0.00 173.24 173.02 2cqe s GLY 515 N -3.17 -1.84 1.14 3.44 0.00 -1.26 -5.17 107.32 100.46 2cqe s GLY 515 Ca 0.27 0.93 -0.19 0.00 0.00 0.00 0.00 44.72 45.73 2cqe s GLY 515 CO 0.17 4.37 1.01 -1.55 0.00 0.00 0.00 173.10 177.10 2cqe n PRO 516 N 2.93 -3.00 -4.57 2.90 -0.04 -1.26 -5.09 135.00 126.87 2cqe n PRO 516 Ca 0.09 -1.62 -0.27 0.00 -0.04 0.00 0.00 63.50 61.66 2cqe n PRO 516 Cb 0.65 -1.52 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2cqe n PRO 516 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqe s SER 517 N -4.23 3.14 0.03 3.54 1.04 -1.26 -5.10 113.70 110.87 2cqe s SER 517 Ca 0.66 -1.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 2cqe s SER 517 Cb -0.06 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2cqe s SER 517 CO 0.50 -0.79 -0.05 -1.20 0.98 0.00 0.00 173.24 172.68 2cqe n SER 518 N -1.13 0.97 0.00 7.02 7.64 -1.26 -5.37 113.62 121.50 2cqe n SER 518 Ca -0.08 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2cqe n SER 518 Cb 0.66 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2cqe n SER 518 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64