#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqe n SER 423 N 0.00 1.58 0.27 1.61 3.41 -1.26 -4.88 113.62 114.35 2cqe n SER 423 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2cqe n SER 423 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2cqe n SER 423 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cqe h SER 424 N 0.00 -0.61 0.00 4.04 4.64 -2.09 -3.46 113.55 116.08 2cqe h SER 424 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2cqe h SER 424 Cb 0.73 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2cqe h SER 424 CO 0.00 -0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.25 2cqe n GLY 425 N -0.48 1.35 3.66 -0.77 0.00 -1.26 -4.96 105.19 102.73 2cqe n GLY 425 Ca -0.09 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2cqe n GLY 425 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqe n SER 426 N 2.58 0.67 -3.49 1.61 2.88 -1.26 -4.75 113.62 111.86 2cqe n SER 426 Ca 0.00 0.56 -0.16 0.00 -1.33 0.00 0.00 58.87 57.94 2cqe n SER 426 Cb 0.00 -1.47 -0.12 0.00 -0.75 0.00 0.00 64.21 61.87 2cqe n SER 426 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqe s SER 427 N -2.11 1.04 0.19 -3.46 1.04 -1.26 -5.13 113.70 104.01 2cqe s SER 427 Ca 0.72 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.89 2cqe s SER 427 Cb -0.29 0.56 -0.14 0.00 0.10 0.00 0.00 66.02 66.25 2cqe s SER 427 CO 0.53 -0.31 0.36 0.61 0.98 0.00 0.00 173.24 175.41 2cqe n GLY 428 N 5.33 -1.55 3.58 7.32 0.00 -1.26 -4.79 105.19 113.82 2cqe n GLY 428 Ca -0.05 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 3.50 0.07 1.61 8.01 -1.26 -4.99 118.70 124.83 2cqe s GLU 429 Ca 0.51 0.33 -0.00 0.00 0.01 0.00 0.00 54.97 55.82 2cqe s GLU 429 Cb -0.72 -4.02 -0.04 0.00 -4.31 0.00 0.00 34.13 25.04 2cqe s GLU 429 CO 0.46 -1.70 -0.04 -0.51 0.01 0.00 0.00 175.26 173.49 2cqe s LEU 430 N 5.11 2.49 -1.18 1.80 1.02 -1.26 -5.07 118.68 121.58 2cqe s LEU 430 Ca 0.45 -1.00 -0.23 0.00 0.02 0.00 0.00 54.13 53.37 2cqe s LEU 430 Cb -0.08 0.12 -0.09 0.00 0.02 0.00 0.00 46.19 46.16 2cqe s LEU 430 CO 0.26 -0.56 1.93 -2.16 0.02 0.00 0.00 176.35 175.84 2cqe s PRO 431 N -3.90 2.50 -0.12 1.29 0.04 -1.26 -4.85 135.00 128.71 2cqe s PRO 431 Ca 0.09 -1.16 -0.05 0.00 0.04 0.00 0.00 61.00 59.91 2cqe s PRO 431 Cb 0.07 -5.24 0.05 0.00 0.04 0.00 0.00 34.50 29.42 2cqe s PRO 431 CO -0.08 -3.97 0.25 0.15 0.04 0.00 0.00 177.00 173.39 2cqe s LYS 432 N 6.47 0.17 -0.24 4.56 -0.14 -1.26 -5.06 119.74 124.24 2cqe s LYS 432 Ca 0.68 0.64 -0.25 0.00 -1.36 0.00 0.00 55.97 55.68 2cqe s LYS 432 Cb -0.01 -0.08 -0.00 0.00 -1.68 0.00 0.00 37.83 36.05 2cqe s LYS 432 CO 0.13 -0.22 0.84 0.15 -0.76 0.00 0.00 175.35 175.49 2cqe s LYS 433 N 1.84 4.19 -0.72 1.68 -0.14 0.80 -4.94 119.74 122.45 2cqe s LYS 433 Ca -0.04 0.97 -0.02 0.00 -1.36 0.00 0.00 55.97 55.53 2cqe s LYS 433 Cb -0.11 -3.64 0.42 0.00 -1.68 0.00 0.00 37.83 32.82 2cqe s LYS 433 CO -0.08 -0.52 2.03 2.89 -0.76 0.00 0.00 175.35 178.91 2cqe n ARG 434 N 5.99 2.71 -4.29 1.68 0.00 -1.26 -3.62 116.66 117.87 2cqe n ARG 434 Ca 0.06 -3.37 -0.24 0.00 -0.00 0.00 0.00 57.85 54.31 2cqe n ARG 434 Cb 0.47 -2.28 -0.08 0.00 -0.00 0.00 0.00 32.46 30.57 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2cqe s GLU 435 N -3.90 2.17 -0.55 2.89 2.56 -1.26 -4.83 118.70 115.78 2cqe s GLU 435 Ca 0.61 -1.59 -0.28 0.00 0.00 0.00 0.00 54.97 53.71 2cqe s GLU 435 Cb 0.49 -2.04 0.01 0.00 2.00 0.00 0.00 34.13 34.58 2cqe s GLU 435 CO -0.13 0.24 1.51 -1.17 -0.56 0.00 0.00 175.26 175.15 2cqe s LEU 436 N -3.70 3.39 0.13 2.70 2.96 -1.26 -0.87 118.68 122.02 2cqe s LEU 436 Ca 0.33 0.38 -0.33 0.00 -0.22 0.00 0.00 54.13 54.29 2cqe s LEU 436 Cb -0.03 -3.01 -0.18 0.00 0.50 0.00 0.00 46.19 43.47 2cqe s LEU 436 CO 0.20 -1.81 0.88 0.00 -1.32 0.00 0.00 176.35 174.30 2cqe n LYS 438 N 1.34 0.24 -0.10 0.00 4.01 -1.26 -3.31 118.16 119.08 2cqe n LYS 438 Ca 0.18 0.12 -0.21 0.00 -0.51 0.00 0.00 58.31 57.89 2cqe n LYS 438 Cb 0.19 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.14 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 -1.28 0.00 -0.44 2.13 3.72 -1.26 -4.53 117.46 115.81 2cqe n PHE 439 Ca 0.08 0.00 0.36 0.00 -0.05 0.00 0.00 57.45 57.84 2cqe n PHE 439 Cb 0.13 -0.73 0.64 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.68 0.49 -1.05 1.38 3.20 -1.86 0.37 116.97 118.82 2cqe h TYR 440 Ca -0.51 0.02 0.35 0.00 3.14 0.00 0.00 58.73 61.73 2cqe h TYR 440 Cb 1.46 -0.12 -0.15 0.00 1.54 0.00 0.00 36.73 39.46 2cqe h TYR 440 CO -0.06 -0.15 0.62 0.82 -1.64 0.00 0.00 178.16 177.75 2cqe h ILE 441 N 0.12 0.25 0.00 1.81 2.04 -1.79 -1.80 117.51 118.15 2cqe h ILE 441 Ca 0.78 -0.09 -0.38 0.00 1.00 0.00 0.00 64.86 66.17 2cqe h ILE 441 Cb 2.47 -0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 2cqe h ILE 441 CO -0.36 0.05 -2.44 0.35 0.00 0.00 0.00 178.15 175.75 2cqe n THR 442 N -4.99 1.44 0.00 -0.27 -2.24 0.12 -5.02 114.28 103.33 2cqe n THR 442 Ca 0.33 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2cqe n THR 442 Cb 1.08 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 2.17 1.08 3.26 3.38 0.00 -0.66 -5.05 105.19 109.37 2cqe n GLY 443 Ca -0.42 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 2cqe n GLY 443 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2cqe n PHE 444 N -0.30 4.57 -3.87 1.61 7.35 -1.25 -4.92 117.46 120.65 2cqe n PHE 444 Ca 0.00 -3.58 -0.35 0.00 -0.76 0.00 0.00 57.45 52.75 2cqe n PHE 444 Cb 0.00 -1.63 -0.13 0.00 0.35 0.00 0.00 39.48 38.07 2cqe n PHE 444 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2cqe h ALA 446 N 8.01 -0.45 -1.95 0.00 0.00 -1.99 -3.32 119.26 119.56 2cqe h ALA 446 Ca -0.19 0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 2cqe h ALA 446 Cb 1.06 1.30 -0.10 0.00 0.00 0.00 0.00 17.79 20.05 2cqe h ALA 446 CO 0.57 -0.92 0.59 1.03 0.00 0.00 0.00 179.25 180.53 2cqe s ARG 447 N -5.58 3.61 0.00 0.00 0.52 -1.26 -4.95 118.95 111.29 2cqe s ARG 447 Ca -0.12 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 2cqe s ARG 447 Cb 0.12 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.70 2cqe s ARG 447 CO 0.64 -1.16 0.00 0.00 0.02 0.00 0.00 175.30 174.80 2cqe n ALA 448 N 7.08 0.00 1.44 2.13 0.00 -1.25 -3.63 120.51 126.28 2cqe n ALA 448 Ca 0.06 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.65 2cqe n ALA 448 Cb 0.48 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.65 2cqe n ALA 448 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cqe n GLU 449 N -1.02 0.53 -0.25 0.00 4.07 -1.26 -3.02 120.64 119.68 2cqe n GLU 449 Ca 0.00 -0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.15 2cqe n GLU 449 Cb 0.00 -1.50 0.26 0.00 -0.06 0.00 0.00 31.44 30.14 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2cqe n ASN 450 N -1.17 3.57 -4.61 4.31 3.02 -1.26 -4.90 115.26 114.22 2cqe n ASN 450 Ca 0.15 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.28 2cqe n ASN 450 Cb 0.25 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 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 7.63 0.49 -3.22 0.00 -0.04 -1.26 -4.74 135.00 133.85 2cqe n PRO 452 Ca 0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 2cqe n PRO 452 Cb 0.49 -1.42 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.29 0.02 0.54 1.51 -1.24 -0.14 117.35 117.33 2cqe s TYR 453 Ca 0.20 -0.79 -0.10 0.00 -1.01 0.00 0.00 57.07 55.37 2cqe s TYR 453 Cb 0.09 -2.13 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 2cqe s TYR 453 CO 0.15 -1.10 0.34 -1.64 -1.11 0.00 0.00 175.55 172.19 2cqe s MET 454 N -4.62 3.71 0.00 -0.62 -1.94 -0.05 -4.91 119.30 110.86 2cqe s MET 454 Ca 0.56 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 2cqe s MET 454 Cb -0.05 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.70 2cqe s MET 454 CO 0.36 0.64 0.00 0.72 -0.01 0.00 0.00 175.02 176.72 2cqe n HIS 455 N 1.27 0.00 -0.04 -0.03 8.25 -1.26 -3.15 115.22 120.27 2cqe n HIS 455 Ca -0.11 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2cqe n HIS 455 Cb 0.53 0.00 -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 -0.70 -1.41 0.00 -1.96 -3.36 103.07 95.65 2cqe h GLY 456 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 2cqe h GLY 456 CO 0.00 0.00 0.01 1.22 0.00 0.00 0.00 176.54 177.77 2cqe n ASP 457 N -3.89 -0.09 -4.55 0.19 9.92 -1.26 -2.84 116.55 114.04 2cqe n ASP 457 Ca -0.01 1.19 -0.57 0.00 -0.53 0.00 0.00 54.79 54.88 2cqe n ASP 457 Cb 0.02 -0.43 -0.07 0.00 -0.64 0.00 0.00 41.12 40.00 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 -4.95 1.03 -2.26 1.24 7.35 -1.26 -4.63 117.46 113.99 2cqe n PHE 458 Ca 0.16 0.90 -0.37 0.00 -0.76 0.00 0.00 57.45 57.38 2cqe n PHE 458 Cb 0.54 -2.19 -0.01 0.00 0.35 0.00 0.00 39.48 38.16 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 0.38 3.80 0.44 -7.13 0.04 -1.26 -2.89 135.00 128.38 2cqe s PRO 459 Ca 0.89 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 63.48 2cqe s PRO 459 Cb -1.16 -2.45 -0.08 0.00 0.04 0.00 0.00 34.50 30.86 2cqe s PRO 459 CO 0.54 -0.52 1.19 0.00 0.04 0.00 0.00 177.00 178.25 2cqe h LYS 461 N 2.26 0.00 -0.55 0.00 3.64 -1.94 -3.35 116.57 116.63 2cqe h LYS 461 Ca -0.49 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2cqe h LYS 461 Cb 1.25 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 2cqe h LYS 461 CO 0.61 0.00 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.20 2cqe h LEU 462 N -0.44 -1.76 -1.00 5.20 3.38 -1.94 0.70 115.31 119.45 2cqe h LEU 462 Ca 0.00 0.26 0.29 0.00 0.09 0.00 0.00 57.88 58.52 2cqe h LEU 462 Cb 0.00 0.76 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2cqe h LEU 462 CO 0.00 -0.36 1.20 0.00 0.09 0.00 0.00 178.44 179.37 2cqe n TYR 463 N -5.37 0.00 -0.13 1.13 9.36 -1.26 -0.52 117.16 120.37 2cqe n TYR 463 Ca -0.01 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.97 2cqe n TYR 463 Cb 0.33 -0.25 -0.08 0.00 -0.63 0.00 0.00 39.34 38.71 2cqe n TYR 463 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2cqe n HIS 464 N -3.19 0.00 -0.20 2.98 8.25 0.21 -1.97 115.22 121.30 2cqe n HIS 464 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 2cqe n HIS 464 Cb 1.50 -0.86 0.20 0.00 1.12 0.00 0.00 29.99 31.95 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 0.88 -2.75 114.28 107.24 2cqe n THR 465 Ca -0.44 1.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.60 2cqe n THR 465 Cb 0.79 -1.88 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 -4.65 0.00 0.00 4.28 -2.24 -1.02 -5.06 114.28 105.59 2cqe n THR 466 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2cqe n THR 466 Cb 0.51 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 2.55 3.47 3.64 3.38 0.00 -0.83 -5.08 105.19 112.32 2cqe n GLY 467 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.08 4.96 -0.16 1.61 -0.87 -1.24 -4.58 114.94 114.59 2cqe s ASN 468 Ca 0.00 0.05 -0.08 0.00 -1.57 0.00 0.00 52.86 51.26 2cqe s ASN 468 Cb 0.00 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.25 39.87 2cqe s ASN 468 CO 0.00 0.36 0.12 0.00 -2.57 0.00 0.00 177.10 175.01 2cqe h ILE 470 N 4.33 1.22 0.04 0.00 6.09 -1.99 -3.05 117.51 124.15 2cqe h ILE 470 Ca -0.48 -0.51 0.03 0.00 -1.37 0.00 0.00 64.86 62.53 2cqe h ILE 470 Cb 1.19 0.21 -0.05 0.00 0.47 0.00 0.00 36.82 38.64 2cqe h ILE 470 CO 0.66 0.23 -0.42 0.78 -3.07 0.00 0.00 178.15 176.33 2cqe h ASN 471 N 1.02 -1.27 0.00 2.19 2.35 -1.96 -3.49 115.58 114.43 2cqe h ASN 471 Ca 0.26 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2cqe h ASN 471 Cb -0.00 0.49 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2cqe h ASN 471 CO -0.05 -0.47 0.00 0.61 -1.65 0.00 0.00 177.43 175.87 2cqe n GLY 472 N -1.46 0.22 0.15 2.83 0.00 -1.15 -4.58 105.19 101.19 2cqe n GLY 472 Ca -0.06 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.37 1.61 3.32 -1.94 -3.20 116.42 114.84 2cqe h ASP 473 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2cqe h ASP 473 Cb 0.00 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 2cqe h ASP 473 CO 0.00 0.00 0.60 -0.90 -1.72 0.00 0.00 179.24 177.22 2cqe n ASP 474 N -2.46 7.05 -4.80 6.45 5.68 -1.26 -5.01 116.55 122.20 2cqe n ASP 474 Ca 0.04 -3.80 -0.35 0.00 -0.50 0.00 0.00 54.79 50.19 2cqe n ASP 474 Cb 0.37 -0.89 -0.06 0.00 -1.14 0.00 0.00 41.12 39.39 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqe n MET 476 N -0.24 0.06 -4.16 0.00 0.00 -1.26 -4.79 117.12 106.73 2cqe n MET 476 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 57.70 57.68 2cqe n MET 476 Cb 0.52 -1.58 -0.05 0.00 0.00 0.00 0.00 33.22 32.11 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 -3.04 2.98 0.32 3.17 0.08 -1.26 -4.79 117.98 115.45 2cqe s PHE 477 Ca 0.11 -0.15 -0.27 0.00 0.12 0.00 0.00 56.93 56.74 2cqe s PHE 477 Cb 0.14 -1.35 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 2cqe s PHE 477 CO 0.45 0.54 1.00 -1.12 -0.10 0.00 0.00 175.22 175.99 2cqe s SER 478 N -3.80 7.21 -0.29 1.36 0.01 -1.13 -4.83 113.70 112.23 2cqe s SER 478 Ca 0.33 1.98 0.08 0.00 1.31 0.00 0.00 55.95 59.65 2cqe s SER 478 Cb -0.07 -2.59 0.48 0.00 0.21 0.00 0.00 66.02 64.04 2cqe s SER 478 CO 0.23 -0.16 1.41 1.41 0.41 0.00 0.00 173.24 176.54 2cqe n HIS 479 N 0.62 1.18 -1.50 2.43 8.25 -1.26 -1.17 115.22 123.77 2cqe n HIS 479 Ca 0.02 -1.74 -0.31 0.00 -0.26 0.00 0.00 57.72 55.42 2cqe n HIS 479 Cb 0.49 -0.47 0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -2.80 5.08 -0.07 0.41 1.01 -1.26 -4.97 116.67 114.07 2cqe s ASP 480 Ca 0.45 1.72 -0.30 0.00 0.71 0.00 0.00 52.55 55.14 2cqe s ASP 480 Cb 0.41 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2cqe s ASP 480 CO -0.01 -1.65 1.51 -2.16 0.21 0.00 0.00 175.17 173.07 2cqe s PRO 481 N -4.89 4.21 0.48 8.23 0.04 -1.26 -4.93 135.00 136.88 2cqe s PRO 481 Ca 0.60 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.46 2cqe s PRO 481 Cb -0.16 -3.86 -0.13 0.00 0.04 0.00 0.00 34.50 30.40 2cqe s PRO 481 CO 0.54 -0.77 0.18 1.28 0.04 0.00 0.00 177.00 178.27 2cqe n LEU 482 N 6.70 -1.92 -4.21 -3.56 4.77 -1.26 -4.99 117.00 112.53 2cqe n LEU 482 Ca 0.16 0.75 -0.16 0.00 -0.03 0.00 0.00 56.01 56.73 2cqe n LEU 482 Cb 0.43 -0.97 -0.11 0.00 -2.33 0.00 0.00 43.42 40.44 2cqe n LEU 482 CO 0.60 -3.96 -0.43 0.42 -1.33 0.00 0.00 177.39 172.69 2cqe s THR 483 N -1.77 1.14 0.53 -5.08 -4.23 -1.26 -4.94 115.64 100.03 2cqe s THR 483 Ca 0.61 -1.66 0.47 0.00 -1.18 0.00 0.00 61.69 59.93 2cqe s THR 483 Cb -0.54 -1.43 0.70 0.00 1.34 0.00 0.00 72.50 72.57 2cqe s THR 483 CO 0.61 -0.47 1.57 1.21 -0.54 0.00 0.00 174.62 177.00 2cqe n GLU 484 N 0.57 -0.01 0.00 3.99 2.13 -1.26 -0.01 120.64 126.06 2cqe n GLU 484 Ca -0.16 1.13 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2cqe n GLU 484 Cb 0.57 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2cqe n GLU 484 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2cqe n GLU 485 N -4.10 0.00 -0.31 5.31 -0.58 -1.26 -3.95 120.64 115.74 2cqe n GLU 485 Ca 0.44 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.59 2cqe n GLU 485 Cb 1.94 -0.79 0.26 0.00 -0.57 0.00 0.00 31.44 32.27 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 0.16 -0.96 2.62 1.35 -1.78 0.24 112.91 114.53 2cqe h THR 486 Ca 0.00 -0.02 0.26 0.00 -0.55 0.00 0.00 66.41 66.10 2cqe h THR 486 Cb 0.00 0.08 -0.18 0.00 -1.73 0.00 0.00 68.15 66.32 2cqe h THR 486 CO 0.00 0.01 0.04 -0.09 -0.25 0.00 0.00 175.52 175.23 2cqe h ARG 487 N 0.07 0.03 -0.91 4.72 1.12 -0.61 1.18 114.38 119.99 2cqe h ARG 487 Ca 0.55 -0.00 0.10 0.00 -1.11 0.00 0.00 59.98 59.51 2cqe h ARG 487 Cb 1.10 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.99 2cqe h ARG 487 CO -0.81 0.02 0.59 0.93 -3.11 0.00 0.00 179.97 177.59 2cqe h GLU 488 N 0.03 0.88 0.13 0.20 4.39 -0.63 -2.92 114.58 116.65 2cqe h GLU 488 Ca 0.58 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.23 2cqe h GLU 488 Cb 1.19 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2cqe h GLU 488 CO -0.89 0.58 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.26 2cqe h LEU 489 N 0.91 -0.63 -0.95 1.33 3.38 0.14 -2.86 115.31 116.63 2cqe h LEU 489 Ca 0.42 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.57 2cqe h LEU 489 Cb 0.41 0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.24 2cqe h LEU 489 CO -0.18 -0.26 -0.47 -0.07 0.09 0.00 0.00 178.44 177.55 2cqe h LEU 490 N -0.37 -1.72 -1.00 1.67 3.38 -1.45 0.61 115.31 116.44 2cqe h LEU 490 Ca -0.01 0.31 0.35 0.00 0.09 0.00 0.00 57.88 58.61 2cqe h LEU 490 Cb 0.34 0.82 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 2cqe h LEU 490 CO -0.07 -0.27 0.27 0.47 0.09 0.00 0.00 178.44 178.93 2cqe n ASP 491 N -5.38 0.11 -0.03 -0.43 8.00 -1.10 -0.21 116.55 117.52 2cqe n ASP 491 Ca 0.06 1.68 -0.01 0.00 0.71 0.00 0.00 54.79 57.23 2cqe n ASP 491 Cb 0.34 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.06 -0.86 -1.24 1.63 0.29 -2.80 116.57 113.53 2cqe h LYS 492 Ca 0.72 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.61 2cqe h LYS 492 Cb 1.73 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 33.26 2cqe h LYS 492 CO -0.86 -0.03 -0.56 1.98 -3.45 0.00 0.00 179.45 176.53 2cqe h MET 493 N -1.02 -0.09 0.55 1.90 4.05 0.20 0.17 114.93 120.70 2cqe h MET 493 Ca -0.01 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2cqe h MET 493 Cb 0.05 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 2cqe h MET 493 CO 0.01 -0.06 -0.40 -0.07 0.23 0.00 0.00 176.91 176.62 2cqe h LEU 494 N -0.09 -1.04 -0.99 3.39 4.07 -0.76 -1.55 115.31 118.33 2cqe h LEU 494 Ca 0.16 0.07 0.30 0.00 0.08 0.00 0.00 57.88 58.49 2cqe h LEU 494 Cb 0.47 0.32 -0.18 0.00 1.08 0.00 0.00 40.66 42.35 2cqe h LEU 494 CO -0.86 -0.58 0.14 0.00 -1.08 0.00 0.00 178.44 176.06 2cqe h ALA 495 N -1.23 1.39 0.77 1.53 0.00 -1.09 0.72 119.26 121.34 2cqe h ALA 495 Ca -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2cqe h ALA 495 Cb 0.75 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2cqe h ALA 495 CO 0.03 -0.65 -0.37 0.22 0.00 0.00 0.00 179.25 178.49 2cqe h ASP 496 N 0.02 -0.88 0.49 0.00 1.82 -0.32 -1.72 116.42 115.82 2cqe h ASP 496 Ca 0.65 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 57.28 2cqe h ASP 496 Cb 1.44 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.68 2cqe h ASP 496 CO -0.88 -0.56 -0.24 0.44 -1.61 0.00 0.00 179.24 176.39 2cqe h ASP 497 N -1.15 -0.56 -0.70 2.28 5.19 0.12 -0.68 116.42 120.94 2cqe h ASP 497 Ca -0.11 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.39 2cqe h ASP 497 Cb 0.81 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.38 2cqe h ASP 497 CO 0.17 -0.38 -0.41 0.00 -3.12 0.00 0.00 179.24 175.50 2cqe n ALA 498 N -2.36 -0.45 -0.01 3.45 0.00 0.23 -0.92 120.51 120.45 2cqe n ALA 498 Ca -0.08 0.59 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 2cqe n ALA 498 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.32 -5.23 0.00 4.57 -1.36 -3.29 114.58 108.95 2cqe h GLU 499 Ca 0.11 0.02 -0.68 0.00 -1.18 0.00 0.00 59.36 57.64 2cqe h GLU 499 Cb 0.29 0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 28.79 2cqe h GLU 499 CO -0.66 -0.21 1.00 0.00 -1.18 0.00 0.00 179.01 177.96 2cqe s ALA 500 N -6.05 3.27 -0.04 2.92 0.00 -0.10 -5.00 121.76 116.76 2cqe s ALA 500 Ca -0.15 -2.70 0.03 0.00 0.00 0.00 0.00 51.96 49.14 2cqe s ALA 500 Cb 0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 2cqe s ALA 500 CO 0.67 -3.10 -0.11 0.20 0.00 0.00 0.00 175.76 173.42 2cqe s GLY 501 N 3.86 1.63 0.05 0.00 0.00 -1.22 -4.64 107.32 107.00 2cqe s GLY 501 Ca 0.36 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 44.16 2cqe s GLY 501 CO -0.09 -0.77 -0.10 0.00 0.00 0.00 0.00 173.10 172.14 2cqe s ALA 502 N -0.81 2.92 0.33 3.20 0.00 -1.26 -5.11 121.76 121.03 2cqe s ALA 502 Ca 0.13 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 2cqe s ALA 502 Cb -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 23.12 21.94 2cqe s ALA 502 CO 0.02 0.62 1.01 -2.00 0.00 0.00 0.00 175.76 175.41 2cqe s GLU 503 N -1.71 4.48 -0.07 0.00 2.12 -1.26 -5.06 118.70 117.20 2cqe s GLU 503 Ca 0.18 1.50 -0.03 0.00 0.36 0.00 0.00 54.97 56.98 2cqe s GLU 503 Cb -0.11 -2.84 0.04 0.00 0.26 0.00 0.00 34.13 31.48 2cqe s GLU 503 CO 0.10 0.15 0.15 -0.51 -0.54 0.00 0.00 175.26 174.61 2cqe s ASP 504 N -1.41 0.12 0.97 -1.70 1.11 -1.26 -5.15 116.67 109.35 2cqe s ASP 504 Ca 0.51 0.31 -0.14 0.00 0.18 0.00 0.00 52.55 53.41 2cqe s ASP 504 Cb -0.23 0.22 -0.01 0.00 1.07 0.00 0.00 42.92 43.96 2cqe s ASP 504 CO 0.29 -0.18 0.07 -1.84 1.18 0.00 0.00 175.17 174.69 2cqe n GLU 505 N 4.52 -0.23 -3.53 8.23 0.28 -1.26 -5.03 120.64 123.62 2cqe n GLU 505 Ca -0.21 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.16 56.64 2cqe n GLU 505 Cb 0.51 -1.62 -0.04 0.00 1.43 0.00 0.00 31.44 31.72 2cqe n GLU 505 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2cqe s LYS 506 N -3.19 0.81 0.16 3.44 -2.85 -1.26 -5.19 119.74 111.66 2cqe s LYS 506 Ca 0.52 -0.03 -0.24 0.00 -1.00 0.00 0.00 55.97 55.23 2cqe s LYS 506 Cb -0.20 0.38 0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2cqe s LYS 506 CO 0.72 -0.30 1.02 -1.83 0.10 0.00 0.00 175.35 175.06 2cqe s GLU 507 N -1.99 1.23 -0.47 1.78 -1.05 -1.26 -5.12 118.70 111.82 2cqe s GLU 507 Ca -0.01 -0.74 -0.12 0.00 -0.15 0.00 0.00 54.97 53.95 2cqe s GLU 507 Cb -0.01 0.37 0.10 0.00 -0.44 0.00 0.00 34.13 34.16 2cqe s GLU 507 CO -0.01 -0.57 0.36 0.08 0.95 0.00 0.00 175.26 176.06 2cqe s VAL 508 N -2.65 4.59 0.44 1.83 1.01 -1.26 -5.06 120.40 119.29 2cqe s VAL 508 Ca 0.17 -1.48 -0.23 0.00 0.00 0.00 0.00 61.98 60.45 2cqe s VAL 508 Cb -0.02 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 2cqe s VAL 508 CO 0.04 -0.67 0.77 -1.84 0.00 0.00 0.00 175.10 173.39 2cqe n GLU 509 N 5.03 0.90 -2.38 2.72 0.28 -1.26 -4.89 120.64 121.04 2cqe n GLU 509 Ca -0.11 0.33 -0.42 0.00 -0.16 0.00 0.00 57.16 56.80 2cqe n GLU 509 Cb 0.42 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 2cqe n GLU 509 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cqe s GLU 510 N -1.85 4.43 0.07 3.44 2.02 -1.26 -4.94 118.70 120.61 2cqe s GLU 510 Ca 0.64 1.83 -0.17 0.00 0.02 0.00 0.00 54.97 57.29 2cqe s GLU 510 Cb -0.57 -3.31 -0.12 0.00 0.10 0.00 0.00 34.13 30.23 2cqe s GLU 510 CO 0.57 -0.24 1.37 -0.07 0.02 0.00 0.00 175.26 176.90 2cqe h LEU 511 N 6.48 0.62 -6.00 1.80 3.38 -2.07 -3.44 115.31 116.08 2cqe h LEU 511 Ca -0.42 -0.50 0.18 0.00 0.09 0.00 0.00 57.88 57.23 2cqe h LEU 511 Cb 1.21 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 41.58 2cqe h LEU 511 CO 0.80 0.99 -0.03 -0.75 0.09 0.00 0.00 178.44 179.55 2cqe s LYS 512 N -4.24 0.30 0.33 1.13 2.36 -1.26 -5.16 119.74 113.20 2cqe s LYS 512 Ca -0.13 0.48 -0.21 0.00 -2.55 0.00 0.00 55.97 53.56 2cqe s LYS 512 Cb 0.07 0.26 -0.10 0.00 -1.05 0.00 0.00 37.83 37.01 2cqe s LYS 512 CO 0.81 -0.39 0.85 0.21 1.55 0.00 0.00 175.35 178.38 2cqe s LYS 513 N 2.92 4.29 0.43 4.03 2.20 -1.26 -5.01 119.74 127.35 2cqe s LYS 513 Ca 0.09 1.03 -0.24 0.00 -0.36 0.00 0.00 55.97 56.49 2cqe s LYS 513 Cb -0.10 -2.58 -0.10 0.00 -1.51 0.00 0.00 37.83 33.54 2cqe s LYS 513 CO -0.16 0.20 1.12 -1.13 -0.36 0.00 0.00 175.35 175.01 2cqe n SER 514 N 0.10 1.75 -4.21 1.43 3.41 -1.26 -5.01 113.62 109.84 2cqe n SER 514 Ca 0.03 1.05 -0.18 0.00 -0.26 0.00 0.00 58.87 59.51 2cqe n SER 514 Cb 0.52 -1.42 -0.11 0.00 -0.26 0.00 0.00 64.21 62.94 2cqe n SER 514 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqe s GLY 515 N -0.70 0.96 0.44 5.00 0.00 -1.26 -5.16 107.32 106.60 2cqe s GLY 515 Ca 0.63 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 2cqe s GLY 515 CO 0.56 -1.21 0.39 -1.55 0.00 0.00 0.00 173.10 171.28 2cqe n PRO 516 N 0.83 -1.79 -4.39 2.90 -0.04 -1.26 -5.08 135.00 126.17 2cqe n PRO 516 Ca -0.18 -0.62 -0.24 0.00 -0.04 0.00 0.00 63.50 62.43 2cqe n PRO 516 Cb 0.56 -0.58 -0.09 0.00 -0.04 0.00 0.00 33.50 33.35 2cqe n PRO 516 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqe s SER 517 N -2.55 4.03 -0.01 3.54 0.15 -1.26 -5.14 113.70 112.46 2cqe s SER 517 Ca 0.25 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2cqe s SER 517 Cb -0.02 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.77 2cqe s SER 517 CO 0.19 -0.01 0.02 -0.55 1.20 0.00 0.00 173.24 174.09 2cqe s SER 518 N -3.60 0.10 0.00 5.45 0.15 -1.26 -5.38 113.70 109.16 2cqe s SER 518 Ca 0.31 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2cqe s SER 518 Cb -0.05 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2cqe s SER 518 CO 0.17 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.14