#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 -0.86 -0.18 1.61 0.15 -1.26 -5.17 113.70 107.99 2cqe s SER 423 Ca 0.00 1.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.90 2cqe s SER 423 Cb 0.00 1.36 0.05 0.00 -1.71 0.00 0.00 66.02 65.72 2cqe s SER 423 CO 0.00 -0.22 0.47 -0.94 1.20 0.00 0.00 173.24 173.75 2cqe s SER 424 N 1.49 -0.52 0.00 5.45 1.04 -1.26 -5.07 113.70 114.83 2cqe s SER 424 Ca -0.09 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2cqe s SER 424 Cb -0.05 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2cqe s SER 424 CO -0.18 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2cqe n GLY 425 N 3.21 0.30 2.75 7.32 0.00 -1.26 -5.15 105.19 112.35 2cqe n GLY 425 Ca -0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 2cqe n GLY 425 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqe s SER 426 N 0.00 1.48 -1.37 1.61 0.15 -1.26 -5.07 113.70 109.24 2cqe s SER 426 Ca 0.00 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.17 2cqe s SER 426 Cb 0.00 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2cqe s SER 426 CO 0.00 -0.34 1.96 -1.54 1.20 0.00 0.00 173.24 174.52 2cqe n SER 427 N 5.32 4.46 -1.89 5.45 3.41 -1.26 -4.76 113.62 124.35 2cqe n SER 427 Ca -0.05 -2.89 -0.18 0.00 -0.26 0.00 0.00 58.87 55.49 2cqe n SER 427 Cb 0.49 -1.70 0.07 0.00 -0.26 0.00 0.00 64.21 62.81 2cqe n SER 427 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqe n GLY 428 N 4.70 4.12 3.57 5.00 0.00 -1.26 -4.86 105.19 116.47 2cqe n GLY 428 Ca 0.50 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.13 0.92 0.24 1.61 1.03 -1.26 -5.18 118.70 113.94 2cqe s GLU 429 Ca 0.36 0.52 0.12 0.00 0.03 0.00 0.00 54.97 55.99 2cqe s GLU 429 Cb 0.29 0.44 -0.05 0.00 -0.80 0.00 0.00 34.13 34.02 2cqe s GLU 429 CO 0.02 -0.23 -0.21 -0.51 -1.33 0.00 0.00 175.26 173.00 2cqe s LEU 430 N -0.59 2.54 0.00 1.83 1.43 -1.26 -5.01 118.68 117.62 2cqe s LEU 430 Ca -0.06 -0.95 0.12 0.00 -1.03 0.00 0.00 54.13 52.21 2cqe s LEU 430 Cb -0.02 -1.15 0.71 0.00 0.03 0.00 0.00 46.19 45.76 2cqe s LEU 430 CO 0.06 0.08 1.14 -0.81 0.23 0.00 0.00 176.35 177.04 2cqe n PRO 431 N -0.23 0.49 -3.70 1.29 -0.04 -1.26 -4.56 135.00 126.99 2cqe n PRO 431 Ca -0.08 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.99 2cqe n PRO 431 Cb 0.58 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 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 3.10 -0.42 0.54 -0.14 -1.26 -4.89 119.74 114.67 2cqe s LYS 432 Ca 0.18 -0.87 -0.24 0.00 -1.36 0.00 0.00 55.97 53.68 2cqe s LYS 432 Cb 0.08 -3.50 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 2cqe s LYS 432 CO 0.14 -0.49 0.85 0.15 -0.76 0.00 0.00 175.35 175.23 2cqe s LYS 433 N 1.54 3.61 0.00 1.68 1.02 -0.28 -4.93 119.74 122.37 2cqe s LYS 433 Ca 0.03 0.19 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 2cqe s LYS 433 Cb -0.18 -3.88 -0.21 0.00 -0.52 0.00 0.00 37.83 33.04 2cqe s LYS 433 CO 0.04 -1.05 3.22 0.54 -0.92 0.00 0.00 175.35 177.18 2cqe n ARG 434 N 6.78 1.74 -4.38 1.68 5.12 -1.26 -3.59 116.66 122.76 2cqe n ARG 434 Ca 0.04 -0.79 -0.26 0.00 -1.93 0.00 0.00 57.85 54.91 2cqe n ARG 434 Cb 0.48 -1.82 -0.12 0.00 -1.16 0.00 0.00 32.46 29.85 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2cqe s GLU 435 N 0.93 1.38 0.02 5.56 -6.30 -1.26 -4.90 118.70 114.12 2cqe s GLU 435 Ca 0.53 -1.39 -0.30 0.00 -2.50 0.00 0.00 54.97 51.30 2cqe s GLU 435 Cb 0.25 -1.70 -0.07 0.00 0.00 0.00 0.00 34.13 32.61 2cqe s GLU 435 CO 0.00 0.38 1.56 -1.17 0.02 0.00 0.00 175.26 176.05 2cqe s LEU 436 N -2.36 4.34 0.13 2.70 2.96 -1.26 -2.33 118.68 122.86 2cqe s LEU 436 Ca 0.15 2.29 -0.33 0.00 -0.22 0.00 0.00 54.13 56.02 2cqe s LEU 436 Cb -0.09 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.92 2cqe s LEU 436 CO 0.07 -0.83 1.71 0.00 -1.32 0.00 0.00 176.35 175.98 2cqe n LYS 438 N 4.47 0.33 -0.08 0.00 4.01 -1.26 -2.99 118.16 122.64 2cqe n LYS 438 Ca 0.18 0.08 -0.14 0.00 -0.51 0.00 0.00 58.31 57.92 2cqe n LYS 438 Cb 0.32 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.27 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cqe n PHE 439 N -1.17 0.00 -0.33 2.13 3.01 -1.26 -4.57 117.46 115.27 2cqe n PHE 439 Ca 0.09 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.69 2cqe n PHE 439 Cb 0.09 -0.62 0.37 0.00 -0.01 0.00 0.00 39.48 39.31 2cqe n PHE 439 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2cqe h TYR 440 N -0.25 0.93 -1.43 1.38 5.03 -1.79 -0.70 116.97 120.15 2cqe h TYR 440 Ca -0.39 0.03 0.48 0.00 2.58 0.00 0.00 58.73 61.43 2cqe h TYR 440 Cb 1.49 -0.28 -0.13 0.00 1.55 0.00 0.00 36.73 39.35 2cqe h TYR 440 CO -0.01 0.23 0.94 -0.89 -1.32 0.00 0.00 178.16 177.10 2cqe n ILE 441 N -4.68 -0.22 -0.10 1.81 5.41 -1.19 0.49 119.36 120.87 2cqe n ILE 441 Ca 0.22 1.75 -0.11 0.00 1.00 0.00 0.00 62.75 65.61 2cqe n ILE 441 Cb 0.60 -2.87 -0.15 0.00 -0.71 0.00 0.00 39.64 36.50 2cqe n ILE 441 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2cqe n THR 442 N -4.60 1.40 0.00 1.39 -2.24 -0.31 -5.01 114.28 104.91 2cqe n THR 442 Ca 0.40 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2cqe n THR 442 Cb 1.60 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.81 0.88 3.33 3.38 0.00 0.18 -5.05 105.19 109.72 2cqe n GLY 443 Ca -0.35 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 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 3.97 -0.32 1.61 5.36 -1.22 -4.92 117.98 120.47 2cqe s PHE 444 Ca 0.00 -2.31 0.03 0.00 -0.96 0.00 0.00 56.93 53.70 2cqe s PHE 444 Cb 0.00 -3.81 0.09 0.00 -0.34 0.00 0.00 43.02 38.96 2cqe s PHE 444 CO 0.00 -0.97 0.02 0.00 -1.46 0.00 0.00 175.22 172.81 2cqe h ALA 446 N 7.70 -0.03 -1.57 0.00 0.00 -1.98 -3.31 119.26 120.08 2cqe h ALA 446 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 2cqe h ALA 446 Cb 1.03 1.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2cqe h ALA 446 CO 0.50 -0.04 1.09 1.03 0.00 0.00 0.00 179.25 181.83 2cqe s ARG 447 N -3.09 3.30 0.00 0.00 0.52 -1.26 -4.90 118.95 113.52 2cqe s ARG 447 Ca -0.00 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 2cqe s ARG 447 Cb 0.00 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.35 2cqe s ARG 447 CO 0.02 -1.95 0.00 0.00 0.02 0.00 0.00 175.30 173.40 2cqe n ALA 448 N 9.51 0.00 0.81 2.13 0.00 -1.25 -3.12 120.51 128.59 2cqe n ALA 448 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2cqe n ALA 448 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.98 2cqe n ALA 448 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2cqe n GLU 449 N -1.35 1.34 0.00 0.00 0.28 -1.26 -2.87 120.64 116.77 2cqe n GLU 449 Ca 0.00 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 2cqe n GLU 449 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cqe n ASN 450 N 0.11 0.32 -4.61 -1.84 3.02 -1.26 -5.03 115.26 105.97 2cqe n ASN 450 Ca 0.03 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 2cqe n ASN 450 Cb 0.39 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 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 8.05 0.49 -3.12 0.00 -0.04 -1.26 -4.75 135.00 134.37 2cqe n PRO 452 Ca 0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 2cqe n PRO 452 Cb 0.47 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.66 0.09 0.54 1.51 -1.26 -1.13 117.35 116.76 2cqe s TYR 453 Ca 0.18 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 2cqe s TYR 453 Cb 0.08 -2.21 -0.06 0.00 -0.11 0.00 0.00 41.96 39.66 2cqe s TYR 453 CO 0.14 -0.97 0.51 -1.64 -1.11 0.00 0.00 175.55 172.48 2cqe s MET 454 N -4.58 4.01 0.00 -0.62 -1.94 -0.98 -4.96 119.30 110.23 2cqe s MET 454 Ca 0.58 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 2cqe s MET 454 Cb -0.06 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.70 2cqe s MET 454 CO 0.36 0.58 0.00 0.72 -0.01 0.00 0.00 175.02 176.67 2cqe n HIS 455 N 1.28 0.00 -0.03 -0.03 8.25 -1.26 -3.37 115.22 120.07 2cqe n HIS 455 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 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 -0.61 -1.41 0.00 -1.95 -3.36 103.07 95.73 2cqe h GLY 456 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2cqe h GLY 456 CO 0.00 0.00 -0.05 1.22 0.00 0.00 0.00 176.54 177.71 2cqe n ASP 457 N -3.44 -0.12 -4.68 0.19 9.92 -1.26 -2.78 116.55 114.38 2cqe n ASP 457 Ca -0.00 1.05 -0.58 0.00 -0.53 0.00 0.00 54.79 54.72 2cqe n ASP 457 Cb 0.01 -0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 40.05 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 -4.87 1.81 -2.26 1.24 7.35 -1.26 -4.60 117.46 114.88 2cqe n PHE 458 Ca 0.13 0.69 -0.38 0.00 -0.76 0.00 0.00 57.45 57.13 2cqe n PHE 458 Cb 0.41 -2.37 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 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 4.04 0.26 -7.13 0.04 -1.26 -2.59 135.00 131.01 2cqe s PRO 459 Ca 0.96 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 2cqe s PRO 459 Cb -1.14 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 30.62 2cqe s PRO 459 CO 0.64 -0.34 1.42 0.00 0.04 0.00 0.00 177.00 178.76 2cqe h LYS 461 N 4.86 -0.22 -0.59 0.00 3.64 -1.93 -3.32 116.57 119.01 2cqe h LYS 461 Ca -0.46 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2cqe h LYS 461 Cb 1.22 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 2cqe h LYS 461 CO 0.76 -0.15 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.22 2cqe h LEU 462 N -0.56 -1.74 -1.13 5.20 3.38 -1.93 0.70 115.31 119.23 2cqe h LEU 462 Ca -0.02 0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.54 2cqe h LEU 462 Cb 0.17 0.76 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2cqe h LEU 462 CO 0.04 -0.35 1.20 0.00 0.09 0.00 0.00 178.44 179.43 2cqe n TYR 463 N -5.37 0.00 -0.11 1.13 4.19 -1.21 -0.86 117.16 114.93 2cqe n TYR 463 Ca 0.00 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 61.03 2cqe n TYR 463 Cb 0.33 -0.28 -0.06 0.00 0.49 0.00 0.00 39.34 39.82 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 -3.26 0.00 -0.21 2.98 8.25 0.21 -1.72 115.22 121.46 2cqe n HIS 464 Ca 0.25 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.92 2cqe n HIS 464 Cb 1.54 -0.71 0.39 0.00 1.12 0.00 0.00 29.99 32.33 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 -4.33 -0.27 0.00 1.59 -2.24 0.85 -2.74 114.28 107.14 2cqe n THR 465 Ca -0.32 1.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.77 2cqe n THR 465 Cb 0.68 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 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 -4.45 0.00 0.00 4.28 -2.24 -0.87 -5.07 114.28 105.93 2cqe n THR 466 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2cqe n THR 466 Cb 0.85 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.52 4.09 3.66 3.38 0.00 -0.70 -5.07 105.19 113.07 2cqe n GLY 467 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 2cqe n GLY 467 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cqe s ASN 468 N -0.02 4.76 -0.12 1.61 -0.87 -1.21 -4.53 114.94 114.56 2cqe s ASN 468 Ca 0.00 -0.42 -0.03 0.00 -1.57 0.00 0.00 52.86 50.83 2cqe s ASN 468 Cb 0.00 -1.00 -0.03 0.00 -0.02 0.00 0.00 41.25 40.19 2cqe s ASN 468 CO 0.00 0.08 0.01 0.00 -2.57 0.00 0.00 177.10 174.61 2cqe h ILE 470 N 4.48 0.94 -0.97 0.00 6.09 -2.00 -3.21 117.51 122.85 2cqe h ILE 470 Ca -0.44 -1.97 0.09 0.00 -1.37 0.00 0.00 64.86 61.16 2cqe h ILE 470 Cb 1.19 2.21 -0.07 0.00 0.47 0.00 0.00 36.82 40.62 2cqe h ILE 470 CO 0.59 0.47 0.62 0.78 -3.07 0.00 0.00 178.15 177.54 2cqe h ASN 471 N 0.00 0.94 -0.55 2.19 4.21 -1.99 -3.48 115.58 116.89 2cqe h ASN 471 Ca -0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2cqe h ASN 471 Cb 1.17 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 2cqe h ASN 471 CO 0.06 0.57 0.00 0.61 -1.29 0.00 0.00 177.43 177.38 2cqe n GLY 472 N -1.37 -0.72 0.08 2.83 0.00 -1.21 -4.55 105.19 100.24 2cqe n GLY 472 Ca 0.16 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.16 2cqe n GLY 472 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cqe n ASP 473 N 0.00 0.64 -2.22 1.61 5.68 -1.26 -3.28 116.55 117.72 2cqe n ASP 473 Ca 0.00 0.56 -0.23 0.00 -0.50 0.00 0.00 54.79 54.62 2cqe n ASP 473 Cb 0.00 -0.73 0.19 0.00 -1.14 0.00 0.00 41.12 39.44 2cqe n ASP 473 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2cqe n ASP 474 N -2.10 3.83 -4.72 -1.12 8.00 -1.26 -4.98 116.55 114.20 2cqe n ASP 474 Ca 0.06 -3.58 -0.42 0.00 0.71 0.00 0.00 54.79 51.56 2cqe n ASP 474 Cb 0.41 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 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 3.54 1.09 -4.18 0.00 0.00 -1.26 -4.80 117.12 111.51 2cqe n MET 476 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 57.70 57.45 2cqe n MET 476 Cb 0.44 -1.08 -0.11 0.00 0.00 0.00 0.00 33.22 32.48 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 -0.22 1.07 -0.05 3.17 0.08 -1.26 -4.64 117.98 116.13 2cqe s PHE 477 Ca 0.04 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.14 2cqe s PHE 477 Cb 0.03 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 2cqe s PHE 477 CO 0.00 0.00 0.98 -1.12 -0.10 0.00 0.00 175.22 174.99 2cqe s SER 478 N -2.42 7.30 -0.13 1.36 0.01 -1.07 -4.81 113.70 113.94 2cqe s SER 478 Ca 0.05 1.59 0.18 0.00 1.31 0.00 0.00 55.95 59.08 2cqe s SER 478 Cb -0.03 -2.56 0.75 0.00 0.21 0.00 0.00 66.02 64.39 2cqe s SER 478 CO 0.00 -0.34 1.66 1.41 0.41 0.00 0.00 173.24 176.38 2cqe n HIS 479 N 4.40 1.61 -1.20 2.43 8.25 -1.26 -0.49 115.22 128.96 2cqe n HIS 479 Ca 0.07 -0.62 -0.33 0.00 -0.26 0.00 0.00 57.72 56.58 2cqe n HIS 479 Cb 0.50 -0.29 0.11 0.00 1.12 0.00 0.00 29.99 31.43 2cqe n HIS 479 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2cqe s ASP 480 N -0.87 3.84 -0.10 0.41 -4.77 -1.26 -4.92 116.67 109.00 2cqe s ASP 480 Ca 0.52 2.27 -0.29 0.00 -3.30 0.00 0.00 52.55 51.75 2cqe s ASP 480 Cb 0.35 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.56 2cqe s ASP 480 CO 0.24 -2.50 1.52 -2.16 0.70 0.00 0.00 175.17 172.97 2cqe s PRO 481 N -4.20 4.18 0.41 2.11 0.04 -1.26 -4.90 135.00 131.38 2cqe s PRO 481 Ca 0.71 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.53 2cqe s PRO 481 Cb -0.27 -3.92 -0.15 0.00 0.04 0.00 0.00 34.50 30.20 2cqe s PRO 481 CO 0.50 -0.83 0.06 1.28 0.04 0.00 0.00 177.00 178.05 2cqe n LEU 482 N 7.04 -2.94 -4.33 -3.56 4.77 -1.26 -4.98 117.00 111.73 2cqe n LEU 482 Ca 0.16 0.79 -0.20 0.00 -0.03 0.00 0.00 56.01 56.74 2cqe n LEU 482 Cb 0.44 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2cqe n LEU 482 CO 0.60 -4.24 -0.46 0.42 -1.33 0.00 0.00 177.39 172.39 2cqe s THR 483 N -1.70 1.73 0.50 -5.08 -4.23 -1.26 -4.88 115.64 100.72 2cqe s THR 483 Ca 0.59 -2.07 0.39 0.00 -1.18 0.00 0.00 61.69 59.42 2cqe s THR 483 Cb -0.62 -1.93 0.59 0.00 1.34 0.00 0.00 72.50 71.89 2cqe s THR 483 CO 0.63 -0.48 1.62 1.05 -0.54 0.00 0.00 174.62 176.90 2cqe h GLU 484 N 2.88 0.04 0.00 3.99 4.11 -1.98 0.66 114.58 124.28 2cqe h GLU 484 Ca -0.40 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2cqe h GLU 484 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2cqe h GLU 484 CO 0.57 0.03 0.00 0.39 0.07 0.00 0.00 179.01 180.07 2cqe n GLU 485 N -4.35 0.00 -0.27 1.06 4.71 -1.26 -3.96 120.64 116.57 2cqe n GLU 485 Ca 0.39 0.17 0.04 0.00 -0.01 0.00 0.00 57.16 57.75 2cqe n GLU 485 Cb 1.65 -0.66 0.13 0.00 -1.01 0.00 0.00 31.44 31.55 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2cqe h THR 486 N 0.00 0.25 -0.94 2.62 1.35 -1.88 0.12 112.91 114.43 2cqe h THR 486 Ca 0.00 -0.01 0.29 0.00 -0.55 0.00 0.00 66.41 66.14 2cqe h THR 486 Cb 0.00 0.22 -0.17 0.00 -1.73 0.00 0.00 68.15 66.46 2cqe h THR 486 CO 0.00 0.01 0.12 -1.14 -0.25 0.00 0.00 175.52 174.26 2cqe n ARG 487 N -5.45 -0.07 -0.32 4.72 3.00 0.23 0.18 116.66 118.94 2cqe n ARG 487 Ca 0.12 1.39 0.03 0.00 -0.00 0.00 0.00 57.85 59.39 2cqe n ARG 487 Cb 0.44 -2.27 0.17 0.00 0.00 0.00 0.00 32.46 30.81 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 0.94 -0.30 -0.14 4.81 -0.88 -2.89 114.58 116.12 2cqe h GLU 488 Ca 0.62 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.83 2cqe h GLU 488 Cb 1.38 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2cqe h GLU 488 CO -0.85 0.62 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.56 2cqe h LEU 489 N 0.96 -1.39 -0.86 1.64 3.38 0.19 -1.79 115.31 117.45 2cqe h LEU 489 Ca 0.41 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.68 2cqe h LEU 489 Cb 0.28 0.57 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 2cqe h LEU 489 CO -0.21 -0.30 -0.46 -0.07 0.09 0.00 0.00 178.44 177.49 2cqe h LEU 490 N -0.30 -1.66 -0.97 1.67 3.38 -1.52 0.64 115.31 116.55 2cqe h LEU 490 Ca 0.05 0.29 0.33 0.00 0.09 0.00 0.00 57.88 58.64 2cqe h LEU 490 Cb 0.44 0.79 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2cqe h LEU 490 CO -0.44 -0.29 0.40 0.44 0.09 0.00 0.00 178.44 178.64 2cqe h ASP 491 N -0.08 0.19 0.00 -0.43 3.32 -1.34 0.22 116.42 118.30 2cqe h ASP 491 Ca 0.24 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2cqe h ASP 491 Cb 0.53 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2cqe h ASP 491 CO -0.87 -0.27 -0.01 0.50 -1.72 0.00 0.00 179.24 176.87 2cqe h LYS 492 N 0.15 0.00 -0.86 3.56 3.64 0.39 -2.97 116.57 120.48 2cqe h LYS 492 Ca 0.71 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 60.20 2cqe h LYS 492 Cb 1.67 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.36 2cqe h LYS 492 CO -0.72 0.00 -0.49 1.98 -2.27 0.00 0.00 179.45 177.95 2cqe h MET 493 N -1.00 -0.08 -0.25 1.90 4.05 0.38 0.99 114.93 120.92 2cqe h MET 493 Ca 0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2cqe h MET 493 Cb 0.01 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 2cqe h MET 493 CO 0.00 -0.05 0.00 -0.07 0.23 0.00 0.00 176.91 177.02 2cqe h LEU 494 N -0.08 -0.09 -0.77 3.39 4.07 -0.76 -2.60 115.31 118.47 2cqe h LEU 494 Ca 0.22 0.06 0.13 0.00 0.08 0.00 0.00 57.88 58.36 2cqe h LEU 494 Cb 0.52 0.10 -0.14 0.00 1.08 0.00 0.00 40.66 42.22 2cqe h LEU 494 CO -0.87 -0.02 -0.33 0.00 -1.08 0.00 0.00 178.44 176.15 2cqe h ALA 495 N 1.21 0.15 -0.95 1.53 0.00 -0.66 0.52 119.26 121.06 2cqe h ALA 495 Ca 0.12 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.36 2cqe h ALA 495 Cb 0.15 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2cqe h ALA 495 CO -0.20 -0.60 0.59 0.22 0.00 0.00 0.00 179.25 179.26 2cqe h ASP 496 N -0.08 0.89 0.58 0.00 3.58 -0.97 0.28 116.42 120.71 2cqe h ASP 496 Ca 0.30 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2cqe h ASP 496 Cb 0.58 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.49 2cqe h ASP 496 CO -0.82 0.51 -0.28 -0.78 -2.88 0.00 0.00 179.24 174.99 2cqe h ASP 497 N 0.99 -0.66 -0.60 2.28 3.58 0.05 -1.95 116.42 120.11 2cqe h ASP 497 Ca 0.45 -0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.99 2cqe h ASP 497 Cb 0.35 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.50 2cqe h ASP 497 CO -0.23 -0.27 0.20 0.00 -2.88 0.00 0.00 179.24 176.07 2cqe h ALA 498 N -1.10 0.76 -0.12 -0.78 0.00 -0.27 0.22 119.26 117.98 2cqe h ALA 498 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cqe h ALA 498 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2cqe h ALA 498 CO 0.13 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.55 2cqe n GLU 499 N -5.02 1.75 -1.98 0.00 -0.58 0.98 -4.80 120.64 110.99 2cqe n GLU 499 Ca 0.09 -0.63 -0.27 0.00 -0.42 0.00 0.00 57.16 55.93 2cqe n GLU 499 Cb 0.28 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 2cqe n GLU 499 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cqe s ALA 500 N -1.39 1.62 -0.84 0.62 0.00 0.79 -4.86 121.76 117.69 2cqe s ALA 500 Ca 0.11 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2cqe s ALA 500 Cb 0.08 -4.52 -0.14 0.00 0.00 0.00 0.00 23.12 18.55 2cqe s ALA 500 CO 0.04 -4.81 1.95 0.41 0.00 0.00 0.00 175.76 173.35 2cqe n GLY 501 N 6.65 2.66 3.62 0.00 0.00 -1.26 -4.44 105.19 112.43 2cqe n GLY 501 Ca 0.38 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 7.62 -1.03 -1.28 4.61 0.00 -1.26 -4.75 120.51 124.42 2cqe n ALA 502 Ca 0.50 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 2cqe n ALA 502 Cb 0.41 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.05 0.22 -3.55 0.00 4.71 -1.26 -4.93 120.64 112.77 2cqe n GLU 503 Ca 0.01 0.09 -0.38 0.00 -0.01 0.00 0.00 57.16 56.88 2cqe n GLU 503 Cb 0.35 -1.44 -0.10 0.00 -1.01 0.00 0.00 31.44 29.24 2cqe n GLU 503 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2cqe s ASP 504 N -1.20 6.13 -0.05 1.62 -4.77 -1.26 -5.07 116.67 112.07 2cqe s ASP 504 Ca 0.61 0.13 -0.02 0.00 -3.30 0.00 0.00 52.55 49.96 2cqe s ASP 504 Cb -0.40 -2.14 0.04 0.00 -1.09 0.00 0.00 42.92 39.32 2cqe s ASP 504 CO 0.62 -0.04 0.11 -1.83 0.70 0.00 0.00 175.17 174.73 2cqe s GLU 505 N 1.58 0.05 -0.01 2.11 -1.05 -1.26 -5.15 118.70 114.96 2cqe s GLU 505 Ca 0.10 0.32 -0.28 0.00 -0.15 0.00 0.00 54.97 54.95 2cqe s GLU 505 Cb -0.15 -0.20 0.09 0.00 -0.44 0.00 0.00 34.13 33.42 2cqe s GLU 505 CO 0.09 -0.17 0.76 0.15 0.95 0.00 0.00 175.26 177.04 2cqe s LYS 506 N 1.15 0.97 0.52 -4.83 1.02 -1.26 -5.19 119.74 112.13 2cqe s LYS 506 Ca -0.09 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 55.86 2cqe s LYS 506 Cb -0.12 0.45 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2cqe s LYS 506 CO -0.05 -0.36 0.01 -1.83 -0.92 0.00 0.00 175.35 172.20 2cqe s GLU 507 N -2.15 2.21 -0.18 1.68 -1.05 -1.26 -5.14 118.70 112.82 2cqe s GLU 507 Ca -0.03 -2.43 -0.06 0.00 -0.15 0.00 0.00 54.97 52.30 2cqe s GLU 507 Cb -0.01 -1.45 -0.04 0.00 -0.44 0.00 0.00 34.13 32.20 2cqe s GLU 507 CO -0.01 -0.41 0.03 0.54 0.95 0.00 0.00 175.26 176.36 2cqe s VAL 508 N -2.92 4.50 0.63 1.83 0.11 -1.26 -5.11 120.40 118.19 2cqe s VAL 508 Ca 0.03 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2cqe s VAL 508 Cb 0.01 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.90 2cqe s VAL 508 CO 0.02 0.46 0.89 -1.61 -3.33 0.00 0.00 175.10 171.54 2cqe s GLU 509 N 0.43 2.26 -0.11 1.54 0.41 -1.26 -5.10 118.70 116.87 2cqe s GLU 509 Ca 0.01 -0.67 -0.01 0.00 -0.41 0.00 0.00 54.97 53.88 2cqe s GLU 509 Cb -0.13 -2.36 -0.03 0.00 -1.78 0.00 0.00 34.13 29.84 2cqe s GLU 509 CO 0.01 -1.02 -0.06 -1.21 -0.49 0.00 0.00 175.26 172.48 2cqe s GLU 510 N -4.99 3.19 -0.19 1.61 2.02 -1.26 -5.01 118.70 114.08 2cqe s GLU 510 Ca 0.60 -0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 2cqe s GLU 510 Cb -0.09 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2cqe s GLU 510 CO 0.41 0.44 2.58 1.28 0.02 0.00 0.00 175.26 179.99 2cqe n LEU 511 N 2.90 5.88 -4.53 1.80 4.32 -1.26 -4.76 117.00 121.34 2cqe n LEU 511 Ca -0.18 -3.20 -0.42 0.00 -0.02 0.00 0.00 56.01 52.19 2cqe n LEU 511 Cb 0.53 -1.20 -0.08 0.00 -1.62 0.00 0.00 43.42 41.04 2cqe n LEU 511 CO 0.30 1.40 -0.17 1.17 -1.22 0.00 0.00 177.39 178.86 2cqe n LYS 512 N 1.29 -0.81 -1.43 3.23 4.81 -1.26 -4.65 118.16 119.34 2cqe n LYS 512 Ca 0.29 0.15 -0.56 0.00 -0.87 0.00 0.00 58.31 57.32 2cqe n LYS 512 Cb 0.64 -4.67 -0.08 0.00 0.02 0.00 0.00 35.03 30.94 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2cqe n LYS 513 N -4.10 0.00 -4.10 1.64 0.00 -1.26 -4.93 118.16 105.40 2cqe n LYS 513 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.29 2cqe n LYS 513 Cb 0.47 -1.27 -0.11 0.00 0.00 0.00 0.00 35.03 34.12 2cqe n LYS 513 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2cqe s SER 514 N 1.91 0.88 -0.38 3.14 0.01 -1.26 -5.13 113.70 112.87 2cqe s SER 514 Ca 0.86 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 57.39 2cqe s SER 514 Cb -1.22 0.08 0.16 0.00 0.21 0.00 0.00 66.02 65.25 2cqe s SER 514 CO 0.64 -0.36 0.46 -0.83 0.41 0.00 0.00 173.24 173.56 2cqe s GLY 515 N -2.30 -0.45 1.24 3.44 0.00 -1.26 -5.16 107.32 102.84 2cqe s GLY 515 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 2cqe s GLY 515 CO -0.03 3.05 1.11 2.56 0.00 0.00 0.00 173.10 179.79 2cqe s PRO 516 N 1.64 -1.52 0.05 2.90 0.04 -1.26 -5.10 135.00 131.75 2cqe s PRO 516 Ca 0.16 -0.17 -0.08 0.00 0.04 0.00 0.00 61.00 60.94 2cqe s PRO 516 Cb -0.12 -1.57 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 2cqe s PRO 516 CO -0.06 -3.89 0.17 -1.12 0.04 0.00 0.00 177.00 172.13 2cqe s SER 517 N -3.98 0.09 0.18 6.66 0.01 -1.26 -5.18 113.70 110.23 2cqe s SER 517 Ca 0.72 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 57.44 2cqe s SER 517 Cb -0.08 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 2cqe s SER 517 CO 0.56 -0.58 0.24 -0.44 0.41 0.00 0.00 173.24 173.43 2cqe s SER 518 N -2.26 0.09 0.00 2.44 0.01 -1.26 -5.38 113.70 107.34 2cqe s SER 518 Ca -0.03 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.17 2cqe s SER 518 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2cqe s SER 518 CO -0.06 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.31