#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 -0.64 -4.70 1.61 2.88 -1.26 -4.94 113.62 106.57 2cqe n SER 423 Ca 0.00 0.85 -0.30 0.00 -1.33 0.00 0.00 58.87 58.09 2cqe n SER 423 Cb 0.00 -0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 62.68 2cqe n SER 423 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqe s SER 424 N -0.51 5.10 0.84 -3.46 0.15 -1.26 -5.13 113.70 109.43 2cqe s SER 424 Ca 0.54 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 2cqe s SER 424 Cb -0.77 -1.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.32 2cqe s SER 424 CO 0.42 0.16 0.10 0.61 1.20 0.00 0.00 173.24 175.73 2cqe n GLY 425 N 0.45 -0.64 3.20 9.45 0.00 -1.26 -5.11 105.19 111.28 2cqe n GLY 425 Ca -0.10 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2cqe n GLY 425 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqe s SER 426 N -1.39 -0.19 -0.23 1.61 0.01 -1.26 -5.04 113.70 107.21 2cqe s SER 426 Ca 0.06 0.86 0.04 0.00 1.31 0.00 0.00 55.95 58.22 2cqe s SER 426 Cb -0.00 1.03 -0.19 0.00 0.21 0.00 0.00 66.02 67.07 2cqe s SER 426 CO 0.04 -0.22 -0.11 -0.24 0.41 0.00 0.00 173.24 173.13 2cqe n SER 427 N 5.05 1.68 0.00 2.44 2.88 -1.26 -4.98 113.62 119.43 2cqe n SER 427 Ca -0.12 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2cqe n SER 427 Cb 0.51 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2cqe n SER 427 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqe n GLY 428 N 2.14 1.90 3.51 0.46 0.00 -1.26 -4.56 105.19 107.39 2cqe n GLY 428 Ca -0.42 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2cqe n GLY 428 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cqe n GLU 429 N 2.45 0.81 -4.61 1.61 2.13 -1.26 -4.99 120.64 116.79 2cqe n GLU 429 Ca 0.00 0.30 -0.31 0.00 0.66 0.00 0.00 57.16 57.81 2cqe n GLU 429 Cb 0.00 -1.75 -0.12 0.00 0.27 0.00 0.00 31.44 29.85 2cqe n GLU 429 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cqe s LEU 430 N 0.62 2.82 0.00 4.31 1.02 -1.26 -5.10 118.68 121.09 2cqe s LEU 430 Ca 0.65 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.49 2cqe s LEU 430 Cb -0.55 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.03 2cqe s LEU 430 CO 0.56 0.27 0.00 -0.81 0.02 0.00 0.00 176.35 176.39 2cqe n PRO 431 N 1.60 0.00 -3.83 1.29 -0.04 -1.26 -4.97 135.00 127.79 2cqe n PRO 431 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 2cqe n PRO 431 Cb 0.52 -0.23 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.00 2.95 0.81 0.54 1.02 -1.26 -5.11 119.74 118.69 2cqe s LYS 432 Ca 0.00 -1.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 2cqe s LYS 432 Cb 0.00 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.76 2cqe s LYS 432 CO 0.00 0.20 1.09 0.15 -0.92 0.00 0.00 175.35 175.87 2cqe s LYS 433 N -4.00 1.99 -0.41 1.68 1.02 0.15 -5.00 119.74 115.18 2cqe s LYS 433 Ca 0.39 0.86 0.06 0.00 0.02 0.00 0.00 55.97 57.30 2cqe s LYS 433 Cb -0.08 -1.89 0.43 0.00 -0.52 0.00 0.00 37.83 35.77 2cqe s LYS 433 CO 0.27 -1.74 1.12 0.54 -0.92 0.00 0.00 175.35 174.62 2cqe n ARG 434 N -3.55 3.40 -4.04 1.68 3.00 -1.26 -4.40 116.66 111.50 2cqe n ARG 434 Ca 0.08 -4.42 -0.09 0.00 -0.01 0.00 0.00 57.85 53.41 2cqe n ARG 434 Cb 0.55 -2.23 -0.11 0.00 0.00 0.00 0.00 32.46 30.67 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 -3.54 0.48 0.38 5.56 2.12 -1.26 -4.72 118.70 117.72 2cqe s GLU 435 Ca 0.48 -0.91 -0.26 0.00 0.36 0.00 0.00 54.97 54.64 2cqe s GLU 435 Cb 0.40 0.10 -0.09 0.00 0.26 0.00 0.00 34.13 34.81 2cqe s GLU 435 CO -0.15 -0.07 1.19 -1.17 -0.54 0.00 0.00 175.26 174.52 2cqe s LEU 436 N -2.16 4.25 0.42 2.70 2.96 -1.26 -2.22 118.68 123.37 2cqe s LEU 436 Ca -0.05 2.39 -0.23 0.00 -0.22 0.00 0.00 54.13 56.02 2cqe s LEU 436 Cb -0.02 -3.95 -0.09 0.00 0.50 0.00 0.00 46.19 42.64 2cqe s LEU 436 CO -0.05 -0.63 1.07 0.00 -1.32 0.00 0.00 176.35 175.42 2cqe n LYS 438 N -0.29 0.13 -0.11 0.00 4.01 -1.26 -3.67 118.16 116.97 2cqe n LYS 438 Ca 0.06 0.17 -0.22 0.00 -0.51 0.00 0.00 58.31 57.82 2cqe n LYS 438 Cb 0.50 -1.67 -0.08 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 -1.90 0.00 -0.42 2.13 3.01 -1.26 -4.51 117.46 114.51 2cqe n PHE 439 Ca 0.05 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.86 2cqe n PHE 439 Cb 0.34 -0.78 0.62 0.00 -0.01 0.00 0.00 39.48 39.65 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 -0.65 0.57 -1.34 1.38 3.20 -1.85 0.25 116.97 118.53 2cqe h TYR 440 Ca -0.53 0.02 0.47 0.00 3.14 0.00 0.00 58.73 61.83 2cqe h TYR 440 Cb 1.52 -0.14 -0.14 0.00 1.54 0.00 0.00 36.73 39.50 2cqe h TYR 440 CO -0.05 -0.19 0.85 0.82 -1.64 0.00 0.00 178.16 177.95 2cqe h ILE 441 N 0.13 0.01 0.00 1.81 2.04 -1.79 0.21 117.51 119.91 2cqe h ILE 441 Ca 0.79 -0.00 -0.38 0.00 1.00 0.00 0.00 64.86 66.27 2cqe h ILE 441 Cb 2.39 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 2cqe h ILE 441 CO -0.43 0.00 -2.42 0.35 0.00 0.00 0.00 178.15 175.65 2cqe n THR 442 N -4.80 1.44 0.00 -0.27 -2.24 0.86 -5.01 114.28 104.27 2cqe n THR 442 Ca 0.40 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2cqe n THR 442 Cb 1.54 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.98 1.10 3.35 3.38 0.00 0.73 -5.04 105.19 110.69 2cqe n GLY 443 Ca -0.39 0.00 -0.45 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 4.11 -0.35 1.61 5.36 -1.26 -4.92 117.98 120.52 2cqe s PHE 444 Ca 0.00 -2.51 0.02 0.00 -0.96 0.00 0.00 56.93 53.48 2cqe s PHE 444 Cb 0.00 -3.89 0.10 0.00 -0.34 0.00 0.00 43.02 38.89 2cqe s PHE 444 CO 0.00 -1.01 0.08 0.00 -1.46 0.00 0.00 175.22 172.84 2cqe h ALA 446 N 7.73 -0.55 -1.23 0.00 0.00 -1.99 -3.27 119.26 119.95 2cqe h ALA 446 Ca -0.07 0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.47 2cqe h ALA 446 Cb 1.03 1.31 -0.06 0.00 0.00 0.00 0.00 17.79 20.07 2cqe h ALA 446 CO 0.56 -0.96 1.17 1.03 0.00 0.00 0.00 179.25 181.05 2cqe s ARG 447 N -5.55 2.94 0.00 0.00 0.52 -1.26 -4.86 118.95 110.74 2cqe s ARG 447 Ca -0.13 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2cqe s ARG 447 Cb 0.11 -4.64 0.00 0.00 0.52 0.00 0.00 34.95 30.94 2cqe s ARG 447 CO 0.62 -2.61 0.00 0.00 0.02 0.00 0.00 175.30 173.33 2cqe n ALA 448 N 11.38 0.00 0.85 2.13 0.00 -1.24 -3.34 120.51 130.29 2cqe n ALA 448 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2cqe n ALA 448 Cb 0.50 0.00 0.03 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 -1.06 1.30 0.00 0.00 0.28 -1.26 -2.85 120.64 117.05 2cqe n GLU 449 Ca 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 2cqe n GLU 449 Cb 0.00 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.32 2cqe n GLU 449 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2cqe n ASN 450 N 0.06 0.65 -4.61 -1.84 2.85 -1.26 -5.00 115.26 106.11 2cqe n ASN 450 Ca 0.02 -0.92 -0.43 0.00 -0.11 0.00 0.00 54.58 53.14 2cqe n ASN 450 Cb 0.33 0.10 -0.02 0.00 1.24 0.00 0.00 39.78 41.43 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 7.65 0.49 -3.03 0.00 -0.04 -1.26 -4.75 135.00 134.06 2cqe n PRO 452 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 2cqe n PRO 452 Cb 0.49 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.88 0.12 0.54 1.51 -1.26 0.33 117.35 118.47 2cqe s TYR 453 Ca 0.23 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 2cqe s TYR 453 Cb 0.10 -2.27 -0.07 0.00 -0.11 0.00 0.00 41.96 39.62 2cqe s TYR 453 CO 0.18 -0.91 0.55 -1.64 -1.11 0.00 0.00 175.55 172.62 2cqe s MET 454 N -4.56 4.04 0.00 -0.62 -1.94 -0.94 -4.90 119.30 110.38 2cqe s MET 454 Ca 0.60 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 2cqe s MET 454 Cb -0.07 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 33.74 2cqe s MET 454 CO 0.37 0.53 0.00 0.72 -0.01 0.00 0.00 175.02 176.63 2cqe n HIS 455 N 1.10 0.00 -0.01 -0.03 8.25 -1.26 -3.53 115.22 119.74 2cqe n HIS 455 Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2cqe n HIS 455 Cb 0.52 0.00 -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 -1.05 -1.41 0.00 -1.95 -3.34 103.07 95.32 2cqe h GLY 456 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.69 2cqe h GLY 456 CO 0.00 0.00 0.68 1.22 0.00 0.00 0.00 176.54 178.44 2cqe n ASP 457 N -2.52 0.14 -4.67 0.19 8.00 -1.26 -2.99 116.55 113.44 2cqe n ASP 457 Ca -0.00 0.99 -0.51 0.00 0.71 0.00 0.00 54.79 55.98 2cqe n ASP 457 Cb 0.00 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 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 -4.08 2.08 -2.26 1.24 7.35 -1.25 -4.68 117.46 115.86 2cqe n PHE 458 Ca 0.30 0.33 -0.40 0.00 -0.76 0.00 0.00 57.45 56.91 2cqe n PHE 458 Cb 1.18 -2.52 -0.03 0.00 0.35 0.00 0.00 39.48 38.46 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 2.59 4.36 0.37 -7.13 0.04 -1.26 -2.06 135.00 131.91 2cqe s PRO 459 Ca 0.90 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.68 2cqe s PRO 459 Cb -0.85 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 2cqe s PRO 459 CO 0.52 -0.11 1.24 0.00 0.04 0.00 0.00 177.00 178.69 2cqe h LYS 461 N 2.96 -0.09 -0.54 0.00 3.64 -1.94 -3.33 116.57 117.27 2cqe h LYS 461 Ca -0.49 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 2cqe h LYS 461 Cb 1.23 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 2cqe h LYS 461 CO 0.64 -0.06 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.19 2cqe h LEU 462 N -0.47 -1.70 -0.85 5.20 3.38 -1.94 0.73 115.31 119.66 2cqe h LEU 462 Ca -0.01 0.25 0.22 0.00 0.09 0.00 0.00 57.88 58.43 2cqe h LEU 462 Cb 0.07 0.74 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2cqe h LEU 462 CO 0.02 -0.36 1.13 0.22 0.09 0.00 0.00 178.44 179.54 2cqe h TYR 463 N -0.28 0.00 0.00 1.13 3.20 -1.73 0.11 116.97 119.39 2cqe h TYR 463 Ca 0.13 0.00 -0.39 0.00 3.14 0.00 0.00 58.73 61.61 2cqe h TYR 463 Cb 0.57 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 2cqe h TYR 463 CO -0.74 0.00 -2.30 0.72 -1.64 0.00 0.00 178.16 174.20 2cqe n HIS 464 N -3.08 0.00 -0.18 -3.82 8.25 0.22 -1.75 115.22 114.85 2cqe n HIS 464 Ca 0.17 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.80 2cqe n HIS 464 Cb 1.36 -0.91 0.32 0.00 1.12 0.00 0.00 29.99 31.88 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 -4.26 -0.24 0.00 1.59 -2.24 0.81 -2.69 114.28 107.25 2cqe n THR 465 Ca -0.48 1.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.46 2cqe n THR 465 Cb 0.83 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 -4.33 0.00 0.00 4.28 -2.24 -1.07 -5.06 114.28 105.86 2cqe n THR 466 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2cqe n THR 466 Cb 0.70 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.61 2.71 3.65 3.38 0.00 -0.72 -5.09 105.19 110.73 2cqe n GLY 467 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2cqe n GLY 467 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqe s ASN 468 N -0.14 4.83 0.10 1.61 4.22 -1.21 -4.58 114.94 119.77 2cqe s ASN 468 Ca 0.00 -0.22 0.03 0.00 -2.14 0.00 0.00 52.86 50.53 2cqe s ASN 468 Cb 0.00 -1.10 -0.04 0.00 1.28 0.00 0.00 41.25 41.39 2cqe s ASN 468 CO 0.00 0.19 0.13 0.00 -2.04 0.00 0.00 177.10 175.38 2cqe h ILE 470 N 2.31 1.40 -0.00 0.00 6.09 -2.00 -3.36 117.51 121.95 2cqe h ILE 470 Ca -0.47 -2.82 0.01 0.00 -1.37 0.00 0.00 64.86 60.21 2cqe h ILE 470 Cb 1.17 2.90 -0.02 0.00 0.47 0.00 0.00 36.82 41.34 2cqe h ILE 470 CO 0.67 0.84 -0.22 0.78 -3.07 0.00 0.00 178.15 177.15 2cqe h ASN 471 N 0.14 -0.68 -3.77 2.19 4.21 -1.98 -3.49 115.58 112.19 2cqe h ASN 471 Ca -0.17 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.41 2cqe h ASN 471 Cb 1.99 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 39.45 2cqe h ASN 471 CO 0.23 -0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2cqe n GLY 472 N -1.19 0.99 0.28 2.83 0.00 -1.26 -4.84 105.19 102.00 2cqe n GLY 472 Ca -0.03 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -1.59 1.61 2.03 -1.94 -2.63 116.42 113.90 2cqe h ASP 473 Ca 0.00 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.60 2cqe h ASP 473 Cb 0.00 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 38.19 2cqe h ASP 473 CO 0.00 0.07 0.58 0.47 -1.03 0.00 0.00 179.24 179.33 2cqe n ASP 474 N -3.66 6.91 -4.78 4.15 8.00 -1.26 -5.02 116.55 120.89 2cqe n ASP 474 Ca -0.02 -3.80 -0.36 0.00 0.71 0.00 0.00 54.79 51.32 2cqe n ASP 474 Cb 0.18 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 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 -0.64 0.98 -4.38 0.00 0.00 -1.26 -4.79 117.12 107.04 2cqe n MET 476 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.55 2cqe n MET 476 Cb 0.50 -1.09 -0.11 0.00 0.00 0.00 0.00 33.22 32.52 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 -1.83 2.01 -0.01 3.17 0.08 -1.26 -4.76 117.98 115.38 2cqe s PHE 477 Ca 0.00 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 2cqe s PHE 477 Cb 0.00 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2cqe s PHE 477 CO 0.00 0.43 1.18 -1.12 -0.10 0.00 0.00 175.22 175.61 2cqe s SER 478 N -2.80 7.08 -0.14 1.36 0.01 -0.87 -4.79 113.70 113.56 2cqe s SER 478 Ca 0.19 1.87 0.17 0.00 1.31 0.00 0.00 55.95 59.49 2cqe s SER 478 Cb -0.06 -2.57 0.68 0.00 0.21 0.00 0.00 66.02 64.28 2cqe s SER 478 CO 0.08 -0.52 1.59 1.41 0.41 0.00 0.00 173.24 176.21 2cqe n HIS 479 N 4.70 1.43 -1.28 2.43 8.25 -1.26 -0.86 115.22 128.63 2cqe n HIS 479 Ca 0.10 -0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 56.57 2cqe n HIS 479 Cb 0.47 -0.29 0.10 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.06 4.07 -0.07 0.41 1.01 -1.26 -4.93 116.67 114.84 2cqe s ASP 480 Ca 0.48 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 55.64 2cqe s ASP 480 Cb 0.33 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 2cqe s ASP 480 CO 0.20 -2.34 1.50 -2.16 0.21 0.00 0.00 175.17 172.58 2cqe s PRO 481 N -4.25 4.22 0.36 8.23 0.04 -1.26 -4.94 135.00 137.39 2cqe s PRO 481 Ca 0.70 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 63.52 2cqe s PRO 481 Cb -0.25 -3.83 -0.15 0.00 0.04 0.00 0.00 34.50 30.31 2cqe s PRO 481 CO 0.49 -0.75 0.29 1.28 0.04 0.00 0.00 177.00 178.36 2cqe n LEU 482 N 6.57 -1.85 -4.11 -3.56 4.77 -1.26 -4.99 117.00 112.58 2cqe n LEU 482 Ca 0.15 0.91 -0.09 0.00 -0.03 0.00 0.00 56.01 56.95 2cqe n LEU 482 Cb 0.43 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2cqe n LEU 482 CO 0.60 -3.61 -0.37 0.42 -1.33 0.00 0.00 177.39 173.09 2cqe s THR 483 N -1.48 0.41 0.53 -5.08 -4.23 -1.26 -4.88 115.64 99.65 2cqe s THR 483 Ca 0.61 -1.70 0.45 0.00 -1.18 0.00 0.00 61.69 59.87 2cqe s THR 483 Cb -0.70 -1.37 0.66 0.00 1.34 0.00 0.00 72.50 72.43 2cqe s THR 483 CO 0.60 -0.85 1.44 -1.84 -0.54 0.00 0.00 174.62 173.43 2cqe n GLU 484 N 0.32 0.00 0.00 3.99 0.28 -1.26 0.81 120.64 124.79 2cqe n GLU 484 Ca -0.15 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.86 2cqe n GLU 484 Cb 0.60 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 31.11 2cqe n GLU 484 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqe n GLU 485 N -3.72 0.00 -0.21 3.44 1.02 -1.26 -4.05 120.64 115.86 2cqe n GLU 485 Ca 0.40 0.20 0.01 0.00 -0.02 0.00 0.00 57.16 57.75 2cqe n GLU 485 Cb 1.85 -0.68 0.11 0.00 -0.02 0.00 0.00 31.44 32.70 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2cqe h THR 486 N 0.00 0.53 -1.29 2.62 1.35 -1.76 0.02 112.91 114.39 2cqe h THR 486 Ca 0.00 -0.06 0.45 0.00 -0.55 0.00 0.00 66.41 66.26 2cqe h THR 486 Cb 0.00 0.35 -0.14 0.00 -1.73 0.00 0.00 68.15 66.63 2cqe h THR 486 CO 0.00 0.03 0.82 -1.14 -0.25 0.00 0.00 175.52 174.98 2cqe n ARG 487 N -5.22 -0.04 -0.20 4.72 0.00 0.24 0.22 116.66 116.37 2cqe n ARG 487 Ca 0.10 1.22 -0.09 0.00 -0.00 0.00 0.00 57.85 59.08 2cqe n ARG 487 Cb 0.36 -2.38 0.02 0.00 0.00 0.00 0.00 32.46 30.46 2cqe n ARG 487 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2cqe h GLU 488 N 0.00 0.95 -0.22 -0.14 4.39 -1.12 -3.23 114.58 115.20 2cqe h GLU 488 Ca 0.84 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 60.32 2cqe h GLU 488 Cb 2.67 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 31.16 2cqe h GLU 488 CO -0.48 0.91 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.79 2cqe h LEU 489 N 0.84 -1.35 -0.97 1.33 3.38 0.25 -2.03 115.31 116.76 2cqe h LEU 489 Ca 0.17 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.43 2cqe h LEU 489 Cb 0.42 0.54 -0.14 0.00 0.09 0.00 0.00 40.66 41.57 2cqe h LEU 489 CO 0.01 -0.32 -0.49 -0.07 0.09 0.00 0.00 178.44 177.66 2cqe h LEU 490 N -0.35 -1.80 -1.18 1.67 3.38 -1.57 0.94 115.31 116.40 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 0.47 0.85 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 2cqe h LEU 490 CO -0.40 -0.26 0.68 0.44 0.09 0.00 0.00 178.44 178.99 2cqe h ASP 491 N -0.02 0.35 0.01 -0.43 3.32 -1.42 0.61 116.42 118.85 2cqe h ASP 491 Ca 0.25 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 2cqe h ASP 491 Cb 0.51 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2cqe h ASP 491 CO -0.95 -0.23 -0.01 0.50 -1.72 0.00 0.00 179.24 176.84 2cqe h LYS 492 N 0.14 -0.02 0.61 3.56 1.63 0.10 -2.91 116.57 119.69 2cqe h LYS 492 Ca 0.80 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.57 2cqe h LYS 492 Cb 2.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.81 2cqe h LYS 492 CO -0.56 0.71 -0.47 1.98 -3.45 0.00 0.00 179.45 177.66 2cqe h MET 493 N -0.97 -1.00 -0.64 1.90 4.05 0.12 -2.54 114.93 115.87 2cqe h MET 493 Ca -0.00 0.07 0.13 0.00 -0.28 0.00 0.00 59.70 59.62 2cqe h MET 493 Cb 0.74 0.23 -0.10 0.00 -0.80 0.00 0.00 31.60 31.66 2cqe h MET 493 CO 0.00 -0.67 0.06 -0.07 0.23 0.00 0.00 176.91 176.47 2cqe h LEU 494 N -1.04 -0.16 -0.80 3.39 4.07 -0.07 -0.30 115.31 120.40 2cqe h LEU 494 Ca -0.08 0.14 0.19 0.00 0.08 0.00 0.00 57.88 58.21 2cqe h LEU 494 Cb 0.86 0.23 -0.12 0.00 1.08 0.00 0.00 40.66 42.71 2cqe h LEU 494 CO 0.02 -0.08 0.22 0.00 -1.08 0.00 0.00 178.44 177.52 2cqe h ALA 495 N 1.55 1.09 -0.49 1.53 0.00 -1.29 0.21 119.26 121.87 2cqe h ALA 495 Ca 0.34 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.52 2cqe h ALA 495 Cb 0.55 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2cqe h ALA 495 CO -0.50 -0.37 0.09 0.22 0.00 0.00 0.00 179.25 178.70 2cqe h ASP 496 N 0.27 -0.01 0.07 0.00 3.58 -0.63 0.23 116.42 119.93 2cqe h ASP 496 Ca 0.47 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 58.00 2cqe h ASP 496 Cb 0.85 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2cqe h ASP 496 CO -0.55 0.02 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.02 2cqe h ASP 497 N 0.23 -0.08 -0.88 2.28 3.58 -0.87 -3.25 116.42 117.43 2cqe h ASP 497 Ca 0.24 0.00 0.33 0.00 0.42 0.00 0.00 57.03 58.03 2cqe h ASP 497 Cb 0.32 0.02 -0.16 0.00 1.72 0.00 0.00 39.33 41.23 2cqe h ASP 497 CO -0.32 0.01 0.35 0.00 -2.88 0.00 0.00 179.24 176.40 2cqe n ALA 498 N -2.14 0.78 0.16 -0.78 0.00 0.52 -0.14 120.51 118.91 2cqe n ALA 498 Ca -0.01 0.91 -0.16 0.00 0.00 0.00 0.00 53.44 54.18 2cqe n ALA 498 Cb 0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.75 -0.88 0.00 4.81 -1.03 -2.29 114.58 114.44 2cqe h GLU 499 Ca 0.69 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 60.17 2cqe h GLU 499 Cb 1.74 0.17 -0.16 0.00 0.63 0.00 0.00 28.75 31.13 2cqe h GLU 499 CO -0.72 -0.50 -0.12 0.00 -0.73 0.00 0.00 179.01 176.95 2cqe h ALA 500 N -0.71 0.76 0.00 2.92 0.00 -0.57 -3.46 119.26 118.19 2cqe h ALA 500 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2cqe h ALA 500 Cb 0.75 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2cqe h ALA 500 CO -0.21 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.01 2cqe n GLY 501 N -1.52 3.54 2.67 0.00 0.00 -0.86 -5.13 105.19 103.89 2cqe n GLY 501 Ca 0.16 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 0.36 -0.85 4.61 0.00 -1.26 -4.99 121.76 119.63 2cqe s ALA 502 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 2cqe s ALA 502 Cb 0.00 -0.74 0.22 0.00 0.00 0.00 0.00 23.12 22.59 2cqe s ALA 502 CO 0.00 -0.65 0.76 -2.00 0.00 0.00 0.00 175.76 173.86 2cqe s GLU 503 N 2.13 3.43 -0.42 0.00 2.56 -1.26 -4.97 118.70 120.16 2cqe s GLU 503 Ca 0.04 -2.75 0.02 0.00 0.00 0.00 0.00 54.97 52.28 2cqe s GLU 503 Cb -0.13 -4.22 0.13 0.00 2.00 0.00 0.00 34.13 31.91 2cqe s GLU 503 CO -0.05 -1.25 0.20 -0.51 -0.56 0.00 0.00 175.26 173.09 2cqe s ASP 504 N 1.29 3.91 0.05 -1.70 1.01 -1.26 -5.11 116.67 114.85 2cqe s ASP 504 Ca 0.22 -2.46 0.03 0.00 0.71 0.00 0.00 52.55 51.05 2cqe s ASP 504 Cb -0.12 -1.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 2cqe s ASP 504 CO -0.08 -0.30 -0.01 -0.70 0.21 0.00 0.00 175.17 174.29 2cqe s GLU 505 N 0.54 2.62 0.48 8.23 2.56 -1.26 -5.13 118.70 126.74 2cqe s GLU 505 Ca 0.16 -0.75 0.07 0.00 0.00 0.00 0.00 54.97 54.44 2cqe s GLU 505 Cb -0.23 -2.57 0.01 0.00 2.00 0.00 0.00 34.13 33.33 2cqe s GLU 505 CO -0.05 0.58 0.37 0.15 -0.56 0.00 0.00 175.26 175.75 2cqe s LYS 506 N -1.92 2.34 0.05 4.30 -0.14 -1.26 -5.14 119.74 117.96 2cqe s LYS 506 Ca 0.22 -1.83 0.08 0.00 -1.36 0.00 0.00 55.97 53.08 2cqe s LYS 506 Cb -0.12 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2cqe s LYS 506 CO 0.14 -0.41 -0.24 -2.00 -0.76 0.00 0.00 175.35 172.08 2cqe s GLU 507 N -4.19 1.60 -0.35 1.68 2.56 -1.26 -5.12 118.70 113.64 2cqe s GLU 507 Ca 0.40 -1.04 -0.14 0.00 0.00 0.00 0.00 54.97 54.20 2cqe s GLU 507 Cb -0.02 -1.76 -0.01 0.00 2.00 0.00 0.00 34.13 34.34 2cqe s GLU 507 CO 0.24 0.45 0.28 0.08 -0.56 0.00 0.00 175.26 175.75 2cqe s VAL 508 N -0.80 5.25 -0.38 3.70 1.01 -1.26 -5.05 120.40 122.87 2cqe s VAL 508 Ca 0.10 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2cqe s VAL 508 Cb -0.09 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2cqe s VAL 508 CO 0.02 -0.05 0.43 -1.83 0.00 0.00 0.00 175.10 173.66 2cqe s GLU 509 N 1.80 3.37 0.55 2.72 -1.05 -1.26 -5.05 118.70 119.79 2cqe s GLU 509 Ca 0.08 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 54.18 2cqe s GLU 509 Cb -0.17 -3.88 -0.06 0.00 -0.44 0.00 0.00 34.13 29.58 2cqe s GLU 509 CO 0.11 -0.70 1.03 -0.85 0.95 0.00 0.00 175.26 175.80 2cqe n GLU 510 N 5.57 1.14 -3.18 -4.83 0.28 -1.26 -4.91 120.64 113.44 2cqe n GLU 510 Ca -0.07 0.43 -0.44 0.00 -0.16 0.00 0.00 57.16 56.91 2cqe n GLU 510 Cb 0.48 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.16 2cqe n GLU 510 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2cqe n LEU 511 N -0.45 5.64 -3.80 -1.84 4.77 -1.26 -4.72 117.00 115.35 2cqe n LEU 511 Ca 0.12 -4.94 -0.30 0.00 -0.03 0.00 0.00 56.01 50.85 2cqe n LEU 511 Cb 0.45 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 2cqe n LEU 511 CO 0.52 1.29 -0.17 0.29 -1.33 0.00 0.00 177.39 177.99 2cqe n LYS 512 N 3.07 -0.82 -1.39 3.23 5.02 -1.26 -4.74 118.16 121.27 2cqe n LYS 512 Ca 0.27 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 2cqe n LYS 512 Cb 0.39 -3.36 0.01 0.00 -0.02 0.00 0.00 35.03 32.04 2cqe n LYS 512 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2cqe n LYS 513 N -3.26 0.33 -3.57 1.97 -0.00 -1.26 -4.99 118.16 107.38 2cqe n LYS 513 Ca 0.03 0.12 -0.06 0.00 -0.00 0.00 0.00 58.31 58.40 2cqe n LYS 513 Cb 0.37 -1.34 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 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 -1.01 -0.21 -0.67 -5.58 0.01 -1.26 -5.08 113.70 99.89 2cqe s SER 514 Ca 0.62 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.95 2cqe s SER 514 Cb -0.57 0.22 0.31 0.00 0.21 0.00 0.00 66.02 66.18 2cqe s SER 514 CO 0.60 -0.34 1.00 0.61 0.41 0.00 0.00 173.24 175.51 2cqe n GLY 515 N -0.08 5.37 3.64 3.44 0.00 -1.26 -5.08 105.19 111.23 2cqe n GLY 515 Ca -0.03 -2.76 -0.29 0.00 0.00 0.00 0.00 46.02 42.94 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 -3.18 -0.33 -0.29 1.61 0.04 -1.26 -5.09 135.00 126.50 2cqe s PRO 516 Ca 0.44 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.57 2cqe s PRO 516 Cb 0.21 -1.67 0.15 0.00 0.04 0.00 0.00 34.50 33.23 2cqe s PRO 516 CO -0.08 -3.18 0.97 -1.12 0.04 0.00 0.00 177.00 173.63 2cqe s SER 517 N -3.64 -0.52 0.20 6.66 0.01 -1.26 -5.18 113.70 109.96 2cqe s SER 517 Ca 0.68 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.79 2cqe s SER 517 Cb -0.15 1.28 -0.05 0.00 0.21 0.00 0.00 66.02 67.31 2cqe s SER 517 CO 0.57 -0.13 -0.04 -0.44 0.41 0.00 0.00 173.24 173.61 2cqe s SER 518 N 1.50 1.79 0.00 2.44 0.01 -1.26 -5.36 113.70 112.82 2cqe s SER 518 Ca -0.08 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2cqe s SER 518 Cb -0.04 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2cqe s SER 518 CO -0.15 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.66