#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c5r s PHE -1 N 0.00 2.90 0.19 0.54 0.08 -1.26 -5.02 117.98 115.41 3c5r s PHE -1 Ca 0.00 0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.48 3c5r s PHE -1 Cb 0.00 -4.02 -0.05 0.00 -0.57 0.00 0.00 43.02 38.39 3c5r s PHE -1 CO 0.00 -1.14 -0.13 0.95 -0.10 0.00 0.00 175.22 174.79 3c5r s THR 0 N 3.83 1.60 0.66 0.64 -4.23 -1.26 -4.54 115.64 112.34 3c5r s THR 0 Ca 0.37 -2.17 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 3c5r s THR 0 Cb -0.10 -1.99 0.15 0.00 1.34 0.00 0.00 72.50 71.90 3c5r s THR 0 CO 0.26 -0.63 0.82 -0.46 -0.54 0.00 0.00 174.62 174.08 3c5r n ASN 425 N -0.32 -0.28 0.06 3.99 0.23 -0.84 -4.88 115.26 113.22 3c5r n ASN 425 Ca -0.09 -1.23 0.05 0.00 -0.53 0.00 0.00 54.58 52.78 3c5r n ASN 425 Cb 0.60 -0.65 0.24 0.00 -2.08 0.00 0.00 39.78 37.89 3c5r n ASN 425 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3c5r n HIS 426 N -3.34 0.28 0.47 -2.53 1.44 -1.26 -1.44 115.22 108.84 3c5r n HIS 426 Ca 0.10 0.14 0.12 0.00 -2.01 0.00 0.00 57.72 56.07 3c5r n HIS 426 Cb 0.37 -0.72 0.18 0.00 0.12 0.00 0.00 29.99 29.94 3c5r n HIS 426 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3c5r n ARG 427 N -1.78 2.45 -0.92 -1.40 1.74 -1.26 -4.94 116.66 110.54 3c5r n ARG 427 Ca -0.00 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3c5r n ARG 427 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3c5r n ARG 427 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3c5r n GLY 428 N 1.45 0.59 3.74 -0.13 0.00 -0.52 -1.05 105.19 109.27 3c5r n GLY 428 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3c5r n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c5r s GLU 429 N -0.08 4.55 0.48 1.61 2.02 -1.26 -4.07 118.70 121.95 3c5r s GLU 429 Ca 0.00 1.17 0.06 0.00 0.02 0.00 0.00 54.97 56.22 3c5r s GLU 429 Cb 0.00 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.89 3c5r s GLU 429 CO 0.00 0.24 0.67 0.95 0.02 0.00 0.00 175.26 177.14 3c5r s THR 430 N 0.05 2.77 0.24 3.63 -4.23 -1.26 -1.99 115.64 114.85 3c5r s THR 430 Ca 0.41 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 3c5r s THR 430 Cb -0.21 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 70.98 3c5r s THR 430 CO 0.25 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.29 3c5r h LEU 431 N 0.39 0.17 -1.01 4.79 5.85 -1.98 -1.26 115.31 122.26 3c5r h LEU 431 Ca -0.39 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3c5r h LEU 431 Cb 1.28 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 3c5r h LEU 431 CO 0.46 0.04 0.67 0.25 -0.34 0.00 0.00 178.44 179.52 3c5r h LEU 432 N 0.36 1.15 0.26 2.25 5.85 -1.96 -0.47 115.31 122.75 3c5r h LEU 432 Ca 0.42 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3c5r h LEU 432 Cb 0.67 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3c5r h LEU 432 CO -0.45 0.82 -0.22 0.45 -0.34 0.00 0.00 178.44 178.70 3c5r h HIS 433 N 1.35 -0.59 -0.19 1.25 3.86 -1.64 -0.91 115.15 118.28 3c5r h HIS 433 Ca 0.38 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.63 3c5r h HIS 433 Cb -0.12 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 3c5r h HIS 433 CO -0.00 -0.33 -0.05 0.82 0.86 0.00 0.00 177.93 179.22 3c5r h ILE 434 N -0.50 0.80 -0.03 2.45 1.08 -0.99 0.22 117.51 120.55 3c5r h ILE 434 Ca -0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3c5r h ILE 434 Cb 0.45 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 3c5r h ILE 434 CO -0.03 0.00 -0.28 0.00 -0.69 0.00 0.00 178.15 177.15 3c5r h ALA 435 N 1.18 1.48 -0.10 1.87 0.00 -1.07 -0.73 119.26 121.89 3c5r h ALA 435 Ca 0.09 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3c5r h ALA 435 Cb 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3c5r h ALA 435 CO -0.20 0.38 -0.87 0.77 0.00 0.00 0.00 179.25 179.34 3c5r h SER 436 N 0.04 0.93 -0.78 0.00 0.02 -0.53 0.58 113.55 113.80 3c5r h SER 436 Ca 0.00 -0.65 0.08 0.00 -0.84 0.00 0.00 61.79 60.38 3c5r h SER 436 Cb 0.53 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 3c5r h SER 436 CO 0.04 1.45 0.45 0.40 -1.14 0.00 0.00 176.83 178.03 3c5r h ILE 437 N 0.49 0.94 -0.93 3.27 2.04 -0.76 -3.35 117.51 119.21 3c5r h ILE 437 Ca -0.08 -0.27 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3c5r h ILE 437 Cb 1.51 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 37.55 3c5r h ILE 437 CO 0.18 0.14 -0.49 0.07 0.00 0.00 0.00 178.15 178.04 3c5r h LYS 438 N 0.78 -0.04 -5.30 2.37 2.10 -0.81 -3.47 116.57 112.20 3c5r h LYS 438 Ca 0.36 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.38 3c5r h LYS 438 Cb 0.28 0.01 -0.14 0.00 -0.90 0.00 0.00 32.23 31.48 3c5r h LYS 438 CO -0.22 -0.03 -0.02 0.20 -2.00 0.00 0.00 179.45 177.38 3c5r s GLY 439 N -2.93 1.82 -0.73 0.07 0.00 -1.25 -5.07 107.32 99.23 3c5r s GLY 439 Ca -0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 3c5r s GLY 439 CO 0.66 1.27 0.95 -0.35 0.00 0.00 0.00 173.10 175.63 3c5r s ASP 440 N 1.69 6.33 0.13 1.64 -1.08 0.20 -4.93 116.67 120.65 3c5r s ASP 440 Ca 0.20 -1.47 -0.25 0.00 -0.52 0.00 0.00 52.55 50.51 3c5r s ASP 440 Cb -0.15 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3c5r s ASP 440 CO 0.12 -1.23 1.63 0.40 0.52 0.00 0.00 175.17 176.61 3c5r h ILE 441 N 5.89 0.40 -1.00 4.11 2.04 -1.98 0.24 117.51 127.21 3c5r h ILE 441 Ca -0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.82 3c5r h ILE 441 Cb 1.06 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3c5r h ILE 441 CO 1.13 0.00 0.64 -0.65 0.00 0.00 0.00 178.15 179.27 3c5r h PRO 442 N -0.38 1.03 0.08 2.37 0.11 -1.99 0.20 132.00 133.41 3c5r h PRO 442 Ca 0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3c5r h PRO 442 Cb 0.48 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3c5r h PRO 442 CO -0.25 0.68 -0.04 0.77 -0.21 0.00 0.00 178.00 178.95 3c5r h SER 443 N 1.06 -0.09 0.09 -2.05 0.02 -1.87 -2.04 113.55 108.68 3c5r h SER 443 Ca 0.47 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3c5r h SER 443 Cb 0.37 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3c5r h SER 443 CO -0.23 0.22 -0.12 0.58 -1.14 0.00 0.00 176.83 176.14 3c5r h VAL 444 N -0.41 0.72 -0.73 2.27 2.07 -0.71 -0.28 116.25 119.19 3c5r h VAL 444 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3c5r h VAL 444 Cb 0.35 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3c5r h VAL 444 CO 0.02 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 177.99 3c5r h GLU 445 N -0.25 0.87 -0.35 1.57 4.81 -0.66 -0.60 114.58 119.97 3c5r h GLU 445 Ca 0.01 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 3c5r h GLU 445 Cb 0.25 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3c5r h GLU 445 CO -0.05 0.58 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.76 3c5r h TYR 446 N 0.90 0.80 -0.22 0.92 3.20 -1.09 0.22 116.97 121.70 3c5r h TYR 446 Ca 0.29 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3c5r h TYR 446 Cb 0.01 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3c5r h TYR 446 CO -0.04 0.88 0.15 -0.07 -1.64 0.00 0.00 178.16 177.44 3c5r h LEU 447 N 0.49 0.26 -0.78 2.82 3.38 -0.75 -0.68 115.31 120.04 3c5r h LEU 447 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3c5r h LEU 447 Cb 0.64 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3c5r h LEU 447 CO 0.04 0.19 0.32 -0.07 0.09 0.00 0.00 178.44 179.01 3c5r h LEU 448 N 0.30 1.07 -1.49 1.67 3.38 -1.02 -1.50 115.31 117.74 3c5r h LEU 448 Ca 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3c5r h LEU 448 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3c5r h LEU 448 CO -0.02 0.95 -0.26 1.56 0.09 0.00 0.00 178.44 180.76 3c5r h GLN 449 N 1.13 0.00 -0.72 1.13 4.20 -0.25 -2.68 115.11 117.92 3c5r h GLN 449 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3c5r h GLN 449 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3c5r h GLN 449 CO -0.02 0.26 0.00 0.09 -0.67 0.00 0.00 178.83 178.49 3c5r n ASN 450 N -4.13 3.93 0.00 1.46 3.02 -0.29 -4.97 115.26 114.27 3c5r n ASN 450 Ca -0.02 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 3c5r n ASN 450 Cb 0.32 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3c5r n ASN 450 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c5r n GLY 451 N 1.59 0.81 3.69 7.41 0.00 -0.86 -5.04 105.19 112.78 3c5r n GLY 451 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3c5r n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c5r s SER 452 N -1.92 6.73 -0.07 1.61 0.15 -0.62 -4.95 113.70 114.63 3c5r s SER 452 Ca 0.00 2.28 -0.30 0.00 0.70 0.00 0.00 55.95 58.63 3c5r s SER 452 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3c5r s SER 452 CO 0.00 -0.81 1.36 -0.62 1.20 0.00 0.00 173.24 174.37 3c5r s ASP 453 N 2.24 6.89 0.06 5.45 -1.08 -1.26 -4.54 116.67 124.43 3c5r s ASP 453 Ca 0.69 1.94 0.20 0.00 -0.52 0.00 0.00 52.55 54.86 3c5r s ASP 453 Cb -0.35 -2.55 0.84 0.00 -1.46 0.00 0.00 42.92 39.40 3c5r s ASP 453 CO 0.29 -0.74 1.63 -0.81 0.52 0.00 0.00 175.17 176.06 3c5r n PRO 454 N 6.05 0.05 -2.39 4.34 -0.04 -1.26 -4.24 135.00 137.50 3c5r n PRO 454 Ca 0.14 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 3c5r n PRO 454 Cb 0.44 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3c5r n PRO 454 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3c5r n ASN 455 N -1.68 5.80 -3.86 3.54 3.02 -1.26 -4.39 115.26 116.43 3c5r n ASN 455 Ca 0.04 -3.18 -0.16 0.00 -0.03 0.00 0.00 54.58 51.25 3c5r n ASN 455 Cb 0.24 -1.42 -0.16 0.00 -0.61 0.00 0.00 39.78 37.83 3c5r n ASN 455 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3c5r s VAL 456 N -0.47 0.22 -0.08 2.41 -7.23 -1.26 -5.12 120.40 108.86 3c5r s VAL 456 Ca 0.40 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.54 3c5r s VAL 456 Cb 0.11 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 3c5r s VAL 456 CO 0.00 0.13 0.06 -0.54 -0.31 0.00 0.00 175.10 174.44 3c5r s LYS 457 N 0.67 3.15 0.02 4.82 1.02 -1.26 -4.18 119.74 123.98 3c5r s LYS 457 Ca -0.07 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 3c5r s LYS 457 Cb -0.10 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3c5r s LYS 457 CO -0.01 0.72 0.02 -0.40 -0.92 0.00 0.00 175.35 174.76 3c5r n ASP 458 N 1.93 -0.44 0.06 2.83 5.68 -0.23 -4.89 116.55 121.49 3c5r n ASP 458 Ca -0.18 -0.79 -0.05 0.00 -0.50 0.00 0.00 54.79 53.26 3c5r n ASP 458 Cb 0.54 -0.02 0.14 0.00 -1.14 0.00 0.00 41.12 40.64 3c5r n ASP 458 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3c5r h HIS 459 N -1.23 0.43 0.00 2.11 3.86 -1.31 -2.74 115.15 116.27 3c5r h HIS 459 Ca -0.01 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3c5r h HIS 459 Cb 0.02 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3c5r h HIS 459 CO 0.00 0.78 -0.23 0.00 0.86 0.00 0.00 177.93 179.33 3c5r h ALA 460 N 1.20 0.97 0.00 2.45 0.00 -1.94 -3.47 119.26 118.47 3c5r h ALA 460 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3c5r h ALA 460 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3c5r h ALA 460 CO 0.08 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.04 3c5r n GLY 461 N 0.34 0.96 3.74 0.00 0.00 -1.03 -4.03 105.19 105.16 3c5r n GLY 461 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3c5r n GLY 461 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c5r s TRP 462 N -2.00 3.60 0.35 1.61 0.52 -1.26 -3.62 118.94 118.14 3c5r s TRP 462 Ca 0.00 1.62 0.04 0.00 0.02 0.00 0.00 56.10 57.78 3c5r s TRP 462 Cb 0.00 -3.27 -0.01 0.00 -1.15 0.00 0.00 33.47 29.04 3c5r s TRP 462 CO 0.00 -0.56 0.51 0.95 0.02 0.00 0.00 176.95 177.87 3c5r s THR 463 N -0.36 4.40 0.44 2.01 -4.23 -1.26 -1.06 115.64 115.57 3c5r s THR 463 Ca 0.49 -0.81 0.13 0.00 -1.18 0.00 0.00 61.69 60.32 3c5r s THR 463 Cb -0.29 -3.56 0.31 0.00 1.34 0.00 0.00 72.50 70.29 3c5r s THR 463 CO 0.35 -0.28 2.01 -0.65 -0.54 0.00 0.00 174.62 175.51 3c5r h PRO 464 N 0.80 0.40 -0.39 3.99 0.11 -1.77 -1.52 132.00 133.61 3c5r h PRO 464 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3c5r h PRO 464 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3c5r h PRO 464 CO 0.56 0.26 0.19 1.25 -0.21 0.00 0.00 178.00 180.05 3c5r h LEU 465 N 0.41 0.51 -0.66 2.35 5.85 -1.94 0.88 115.31 122.71 3c5r h LEU 465 Ca 0.23 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3c5r h LEU 465 Cb 0.39 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3c5r h LEU 465 CO -0.06 0.49 0.32 0.45 -0.34 0.00 0.00 178.44 179.31 3c5r h HIS 466 N 0.49 0.58 -0.15 1.25 3.86 -1.75 0.06 115.15 119.49 3c5r h HIS 466 Ca 0.13 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3c5r h HIS 466 Cb 0.12 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3c5r h HIS 466 CO -0.01 0.23 0.03 0.93 0.86 0.00 0.00 177.93 179.96 3c5r h GLU 467 N 0.57 0.25 -0.71 2.45 4.39 -0.85 -0.69 114.58 119.99 3c5r h GLU 467 Ca 0.31 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 3c5r h GLU 467 Cb 0.30 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3c5r h GLU 467 CO -0.24 0.42 0.23 0.00 -1.16 0.00 0.00 179.01 178.26 3c5r h ALA 468 N 0.81 0.92 -0.33 3.43 0.00 -0.57 -2.24 119.26 121.29 3c5r h ALA 468 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3c5r h ALA 468 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3c5r h ALA 468 CO 0.00 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.02 3c5r h ASN 470 N 0.40 0.94 0.11 0.00 -0.73 -0.99 -3.03 115.58 112.29 3c5r h ASN 470 Ca 0.11 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3c5r h ASN 470 Cb 0.09 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.45 3c5r h ASN 470 CO -0.02 0.67 -0.25 1.41 -0.37 0.00 0.00 177.43 178.87 3c5r n HIS 471 N -4.52 0.00 -2.23 0.67 8.25 -0.86 -4.85 115.22 111.69 3c5r n HIS 471 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3c5r n HIS 471 Cb 0.05 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3c5r n HIS 471 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3c5r n GLY 472 N 1.33 0.61 3.42 -1.41 0.00 -0.42 -4.99 105.19 103.74 3c5r n GLY 472 Ca 0.13 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 3c5r n GLY 472 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3c5r s HIS 473 N -2.44 3.75 0.12 1.61 3.76 -0.25 -4.91 115.29 116.93 3c5r s HIS 473 Ca 0.00 -2.28 -0.29 0.00 -0.15 0.00 0.00 55.06 52.34 3c5r s HIS 473 Cb -0.00 -4.14 -0.08 0.00 1.11 0.00 0.00 32.58 29.47 3c5r s HIS 473 CO 0.00 -1.24 1.61 1.25 -0.85 0.00 0.00 174.74 175.51 3c5r h LEU 474 N 8.68 -1.03 -0.64 0.89 5.85 -1.94 0.17 115.31 127.29 3c5r h LEU 474 Ca 0.26 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.22 3c5r h LEU 474 Cb 0.89 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 3c5r h LEU 474 CO 1.15 -0.42 0.18 0.50 -0.34 0.00 0.00 178.44 179.50 3c5r h LYS 475 N -0.55 0.31 -0.21 1.25 1.63 -1.99 -0.44 116.57 116.56 3c5r h LYS 475 Ca 0.04 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3c5r h LYS 475 Cb 0.60 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 3c5r h LYS 475 CO -0.23 0.20 0.11 0.28 -3.45 0.00 0.00 179.45 176.36 3c5r h VAL 476 N 0.31 1.12 -0.39 2.00 2.07 -1.75 -0.44 116.25 119.17 3c5r h VAL 476 Ca 0.34 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3c5r h VAL 476 Cb 0.51 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 3c5r h VAL 476 CO -0.40 0.11 -0.20 0.58 0.02 0.00 0.00 177.57 177.68 3c5r h VAL 477 N 0.23 0.42 -0.36 2.57 2.07 0.12 -0.93 116.25 120.37 3c5r h VAL 477 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3c5r h VAL 477 Cb 0.08 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3c5r h VAL 477 CO -0.01 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.72 3c5r h GLU 478 N -0.13 0.48 -0.86 1.57 4.81 -0.82 -0.46 114.58 119.18 3c5r h GLU 478 Ca 0.19 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3c5r h GLU 478 Cb 0.43 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 3c5r h GLU 478 CO -0.47 0.36 0.50 -0.07 -0.73 0.00 0.00 179.01 178.59 3c5r h LEU 479 N 0.47 0.71 -0.19 1.64 3.38 -0.63 0.30 115.31 120.99 3c5r h LEU 479 Ca 0.13 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3c5r h LEU 479 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3c5r h LEU 479 CO -0.03 0.39 -0.01 -0.07 0.09 0.00 0.00 178.44 178.82 3c5r h LEU 480 N 0.82 0.34 -0.17 1.67 3.38 -0.46 -0.69 115.31 120.20 3c5r h LEU 480 Ca 0.42 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3c5r h LEU 480 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3c5r h LEU 480 CO -0.26 0.59 0.10 -0.07 0.09 0.00 0.00 178.44 178.89 3c5r h LEU 481 N 0.09 0.21 -1.17 1.67 3.38 -0.76 -1.41 115.31 117.33 3c5r h LEU 481 Ca 0.05 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3c5r h LEU 481 Cb 0.42 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3c5r h LEU 481 CO 0.01 0.21 0.60 1.56 0.09 0.00 0.00 178.44 180.90 3c5r h GLN 482 N 0.19 0.80 -0.86 1.13 4.20 -0.31 -1.81 115.11 118.46 3c5r h GLN 482 Ca 0.06 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3c5r h GLN 482 Cb 0.04 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3c5r h GLN 482 CO -0.01 0.53 0.09 0.72 -0.67 0.00 0.00 178.83 179.49 3c5r n HIS 483 N -4.59 1.13 -0.87 2.96 8.25 -0.28 -4.91 115.22 116.92 3c5r n HIS 483 Ca 0.18 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 3c5r n HIS 483 Cb 0.41 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3c5r n HIS 483 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3c5r n LYS 484 N 0.12 0.00 -1.67 -0.41 5.02 -0.68 -4.69 118.16 115.85 3c5r n LYS 484 Ca 0.18 0.05 -0.46 0.00 -2.02 0.00 0.00 58.31 56.06 3c5r n LYS 484 Cb 0.81 -2.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 3c5r n LYS 484 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3c5r n ALA 485 N 0.61 1.39 -2.24 7.82 0.00 -0.59 -4.88 120.51 122.62 3c5r n ALA 485 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 3c5r n ALA 485 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 3c5r n ALA 485 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3c5r s LEU 486 N 1.01 4.24 0.47 0.00 1.43 -1.26 -4.65 118.68 119.92 3c5r s LEU 486 Ca 0.79 1.93 0.24 0.00 -1.03 0.00 0.00 54.13 56.06 3c5r s LEU 486 Cb -0.67 -3.54 1.15 0.00 0.03 0.00 0.00 46.19 43.16 3c5r s LEU 486 CO 0.38 -0.84 1.94 1.62 0.23 0.00 0.00 176.35 179.68 3c5r h VAL 487 N 5.54 0.66 -0.47 -1.59 3.04 -1.90 -3.14 116.25 118.39 3c5r h VAL 487 Ca -0.32 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 3c5r h VAL 487 Cb 1.14 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3c5r h VAL 487 CO 0.96 0.20 0.00 0.59 -1.01 0.00 0.00 177.57 178.31 3c5r n ASN 488 N -3.60 3.28 -4.72 3.17 3.02 -1.26 -4.40 115.26 110.74 3c5r n ASN 488 Ca -0.01 -1.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 3c5r n ASN 488 Cb 0.34 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3c5r n ASN 488 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3c5r n THR 489 N 0.99 0.64 -2.88 3.41 -1.04 -1.19 -4.89 114.28 109.33 3c5r n THR 489 Ca 0.16 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3c5r n THR 489 Cb 0.50 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 3c5r n THR 489 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3c5r s THR 490 N 0.39 4.40 0.00 12.58 -4.23 -1.26 -4.13 115.64 123.39 3c5r s THR 490 Ca 0.69 1.85 0.00 0.00 -1.18 0.00 0.00 61.69 63.05 3c5r s THR 490 Cb -0.53 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.09 3c5r s THR 490 CO 0.43 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.57 3c5r n GLY 491 N 1.87 4.99 3.72 3.99 0.00 -0.28 -4.92 105.19 114.56 3c5r n GLY 491 Ca -0.03 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3c5r n GLY 491 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3c5r n TYR 492 N 0.00 2.71 -1.66 1.61 9.36 -1.24 -1.12 117.16 126.82 3c5r n TYR 492 Ca 0.00 0.15 -0.20 0.00 3.32 0.00 0.00 57.90 61.16 3c5r n TYR 492 Cb 0.00 -2.63 -0.08 0.00 -0.63 0.00 0.00 39.34 36.00 3c5r n TYR 492 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3c5r n GLN 493 N 3.26 -1.43 -2.02 2.98 6.02 -1.26 -1.37 117.38 123.57 3c5r n GLN 493 Ca 0.14 1.20 -0.15 0.00 -0.01 0.00 0.00 57.00 58.18 3c5r n GLN 493 Cb 0.35 -5.58 -0.03 0.00 1.02 0.00 0.00 30.24 26.00 3c5r n GLN 493 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3c5r n ASN 494 N -1.33 -4.20 -4.74 1.08 4.13 -0.27 -1.11 115.26 108.82 3c5r n ASN 494 Ca -0.21 0.23 -0.41 0.00 1.68 0.00 0.00 54.58 55.87 3c5r n ASN 494 Cb 0.67 -3.67 -0.03 0.00 -1.54 0.00 0.00 39.78 35.21 3c5r n ASN 494 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3c5r s ASP 495 N -2.12 6.77 0.57 6.41 1.01 -0.47 -4.20 116.67 124.65 3c5r s ASP 495 Ca 0.00 2.54 -0.09 0.00 0.71 0.00 0.00 52.55 55.71 3c5r s ASP 495 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3c5r s ASP 495 CO 0.00 -0.62 0.94 -0.94 0.21 0.00 0.00 175.17 174.77 3c5r s SER 496 N 0.35 6.20 0.46 0.27 1.04 -1.26 -1.12 113.70 119.64 3c5r s SER 496 Ca 0.58 1.22 0.24 0.00 0.48 0.00 0.00 55.95 58.46 3c5r s SER 496 Cb -0.39 -2.35 1.24 0.00 0.10 0.00 0.00 66.02 64.62 3c5r s SER 496 CO 0.41 -0.79 1.84 -0.65 0.98 0.00 0.00 173.24 175.03 3c5r h PRO 497 N -0.13 0.25 -0.66 4.02 0.11 -1.77 -1.56 132.00 132.26 3c5r h PRO 497 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3c5r h PRO 497 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3c5r h PRO 497 CO 0.62 0.16 0.26 1.25 -0.21 0.00 0.00 178.00 180.08 3c5r h LEU 498 N 0.25 0.92 -0.28 2.35 5.85 -1.94 -1.83 115.31 120.63 3c5r h LEU 498 Ca 0.50 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.10 3c5r h LEU 498 Cb 1.52 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 3c5r h LEU 498 CO -0.15 0.85 -0.02 0.45 -0.34 0.00 0.00 178.44 179.23 3c5r h HIS 499 N 0.94 -0.04 -0.70 1.25 3.86 -1.65 -1.05 115.15 117.75 3c5r h HIS 499 Ca 0.22 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3c5r h HIS 499 Cb 0.22 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3c5r h HIS 499 CO 0.01 -0.06 0.45 -0.44 0.86 0.00 0.00 177.93 178.75 3c5r h ASP 500 N 0.07 0.81 -0.18 2.45 3.32 -1.29 0.42 116.42 122.02 3c5r h ASP 500 Ca 0.14 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3c5r h ASP 500 Cb 0.19 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3c5r h ASP 500 CO -0.24 0.61 -0.08 0.00 -1.72 0.00 0.00 179.24 177.80 3c5r h ALA 501 N 1.24 0.25 0.53 3.45 0.00 -1.16 -2.96 119.26 120.61 3c5r h ALA 501 Ca 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3c5r h ALA 501 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3c5r h ALA 501 CO -0.05 0.07 -0.25 0.00 0.00 0.00 0.00 179.25 179.01 3c5r h ALA 502 N 0.69 -0.71 -0.84 0.00 0.00 -1.06 -0.33 119.26 117.00 3c5r h ALA 502 Ca 0.04 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.97 3c5r h ALA 502 Cb 0.56 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 3c5r h ALA 502 CO 0.03 -0.85 -0.10 1.17 0.00 0.00 0.00 179.25 179.50 3c5r n LYS 503 N -5.36 -0.07 -0.82 0.00 4.81 0.13 -1.13 118.16 115.72 3c5r n LYS 503 Ca -0.12 1.28 0.08 0.00 -0.87 0.00 0.00 58.31 58.68 3c5r n LYS 503 Cb 0.31 -1.97 0.39 0.00 0.02 0.00 0.00 35.03 33.78 3c5r n LYS 503 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3c5r n ASN 504 N -5.28 5.46 -1.29 3.14 3.02 -1.10 -4.89 115.26 114.33 3c5r n ASN 504 Ca 0.17 -2.81 -0.15 0.00 -0.03 0.00 0.00 54.58 51.75 3c5r n ASN 504 Cb 0.53 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 3c5r n ASN 504 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c5r n GLY 505 N 0.72 1.08 3.47 7.41 0.00 -0.28 -4.94 105.19 112.65 3c5r n GLY 505 Ca 0.27 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 3c5r n GLY 505 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3c5r s HIS 506 N -2.60 3.39 0.27 1.61 3.76 -0.18 -4.86 115.29 116.68 3c5r s HIS 506 Ca 0.00 -1.99 -0.00 0.00 -0.15 0.00 0.00 55.06 52.92 3c5r s HIS 506 Cb 0.00 -4.35 0.38 0.00 1.11 0.00 0.00 32.58 29.73 3c5r s HIS 506 CO 0.00 -1.44 1.76 -0.39 -0.85 0.00 0.00 174.74 173.82 3c5r h VAL 507 N 4.90 1.24 -0.60 -0.90 -1.51 -1.92 -1.24 116.25 116.21 3c5r h VAL 507 Ca 0.30 -1.03 -0.07 0.00 -1.23 0.00 0.00 66.70 64.68 3c5r h VAL 507 Cb 0.89 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 3c5r h VAL 507 CO 1.24 0.35 0.12 0.44 -1.23 0.00 0.00 177.57 178.50 3c5r h ASP 508 N 0.64 0.94 -0.37 4.19 5.19 -1.98 -0.64 116.42 124.39 3c5r h ASP 508 Ca 0.12 -0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.14 3c5r h ASP 508 Cb 0.48 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3c5r h ASP 508 CO 0.03 0.94 -0.33 0.40 -3.12 0.00 0.00 179.24 177.16 3c5r h ILE 509 N 0.89 1.27 -0.29 0.35 2.04 -1.88 -0.31 117.51 119.59 3c5r h ILE 509 Ca 0.19 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.58 3c5r h ILE 509 Cb 0.39 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3c5r h ILE 509 CO 0.01 0.50 0.07 0.58 0.00 0.00 0.00 178.15 179.31 3c5r h VAL 510 N 0.76 0.89 -0.74 1.67 2.07 -1.10 0.25 116.25 120.04 3c5r h VAL 510 Ca 0.07 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3c5r h VAL 510 Cb 0.91 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3c5r h VAL 510 CO 0.08 0.03 0.48 0.11 0.02 0.00 0.00 177.57 178.30 3c5r h LYS 511 N 0.19 0.93 -0.65 1.57 1.57 -0.90 -1.04 116.57 118.23 3c5r h LYS 511 Ca 0.13 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3c5r h LYS 511 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3c5r h LYS 511 CO -0.16 0.61 0.07 1.25 -0.57 0.00 0.00 179.45 180.65 3c5r h LEU 512 N 0.95 1.07 0.04 2.94 5.85 -0.50 -1.93 115.31 123.74 3c5r h LEU 512 Ca 0.29 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3c5r h LEU 512 Cb -0.04 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.71 3c5r h LEU 512 CO -0.09 1.08 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.00 3c5r h LEU 513 N 1.03 -0.05 -1.05 2.25 3.38 -0.16 -2.38 115.31 118.32 3c5r h LEU 513 Ca 0.19 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3c5r h LEU 513 Cb 0.49 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 3c5r h LEU 513 CO 0.02 0.22 0.62 -0.07 0.09 0.00 0.00 178.44 179.32 3c5r h LEU 514 N -0.32 0.91 -1.97 1.67 3.38 -1.18 -1.10 115.31 116.70 3c5r h LEU 514 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3c5r h LEU 514 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3c5r h LEU 514 CO 0.01 0.51 0.00 0.77 0.09 0.00 0.00 178.44 179.82 3c5r h SER 515 N 0.99 0.00 -0.50 -0.43 4.64 -0.89 -0.43 113.55 116.93 3c5r h SER 515 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3c5r h SER 515 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3c5r h SER 515 CO -0.23 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.51 3c5r n TYR 516 N -2.89 0.66 -0.30 4.77 4.01 -0.48 -4.95 117.16 117.97 3c5r n TYR 516 Ca -0.01 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3c5r n TYR 516 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3c5r n TYR 516 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3c5r n GLY 517 N 1.56 0.82 3.70 2.72 0.00 -0.17 -4.88 105.19 108.94 3c5r n GLY 517 Ca 0.21 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3c5r n GLY 517 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c5r n ALA 518 N -1.09 1.51 -2.38 4.61 0.00 -0.82 -4.88 120.51 117.45 3c5r n ALA 518 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 3c5r n ALA 518 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 3c5r n ALA 518 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3c5r s SER 519 N -0.02 6.42 0.32 0.00 0.01 -1.26 -4.72 113.70 114.44 3c5r s SER 519 Ca 0.60 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.75 3c5r s SER 519 Cb -0.57 -2.54 0.55 0.00 0.21 0.00 0.00 66.02 63.67 3c5r s SER 519 CO 0.57 -1.35 1.94 -0.09 0.41 0.00 0.00 173.24 174.72 3c5r h ARG 520 N 10.34 0.96 -0.28 12.44 2.43 -1.95 -2.89 114.38 135.43 3c5r h ARG 520 Ca -0.27 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3c5r h ARG 520 Cb 1.10 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3c5r h ARG 520 CO 1.08 0.64 0.00 0.09 -1.51 0.00 0.00 179.97 180.27 3c5r n ASN 521 N -4.46 3.97 -4.56 -3.80 5.03 -1.26 -4.47 115.26 105.71 3c5r n ASN 521 Ca 0.12 -3.04 -0.39 0.00 0.87 0.00 0.00 54.58 52.14 3c5r n ASN 521 Cb 0.15 -0.56 0.03 0.00 -1.02 0.00 0.00 39.78 38.38 3c5r n ASN 521 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3c5r n ALA 522 N -0.46 -0.29 -2.46 5.41 0.00 -1.09 -4.88 120.51 116.74 3c5r n ALA 522 Ca 0.22 0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 3c5r n ALA 522 Cb 0.92 -2.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 3c5r n ALA 522 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3c5r s VAL 523 N -1.50 1.76 0.00 0.00 -7.23 -1.26 -4.13 120.40 108.04 3c5r s VAL 523 Ca 0.69 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 3c5r s VAL 523 Cb -0.48 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 34.99 3c5r s VAL 523 CO 0.53 0.50 0.00 -0.46 -0.31 0.00 0.00 175.10 175.35 3c5r n ASN 524 N 2.61 0.00 0.29 4.85 0.23 -0.77 -4.83 115.26 117.63 3c5r n ASN 524 Ca -0.16 -0.95 0.17 0.00 -0.53 0.00 0.00 54.58 53.11 3c5r n ASN 524 Cb 0.52 0.00 0.95 0.00 -2.08 0.00 0.00 39.78 39.17 3c5r n ASN 524 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3c5r h ILE 525 N -0.77 0.42 -0.05 1.53 3.07 -1.36 0.73 117.51 121.08 3c5r h ILE 525 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3c5r h ILE 525 Cb 0.00 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 3c5r h ILE 525 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 3c5r n PHE 526 N -3.69 0.06 -1.09 0.16 3.72 -1.26 -4.91 117.46 110.45 3c5r n PHE 526 Ca -0.02 -0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 3c5r n PHE 526 Cb 0.14 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3c5r n PHE 526 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3c5r n GLY 527 N 1.08 0.52 3.82 1.37 0.00 0.25 -5.00 105.19 107.22 3c5r n GLY 527 Ca 0.19 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3c5r n GLY 527 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c5r s LEU 528 N -0.72 4.48 0.41 0.99 1.43 -1.26 -4.74 118.68 119.27 3c5r s LEU 528 Ca 0.00 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 3c5r s LEU 528 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3c5r s LEU 528 CO 0.00 0.22 0.64 -0.13 0.23 0.00 0.00 176.35 177.32 3c5r s ARG 529 N -1.34 3.46 0.38 1.70 0.52 -1.26 -1.85 118.95 120.55 3c5r s ARG 529 Ca 0.32 -0.16 0.19 0.00 -0.52 0.00 0.00 55.73 55.56 3c5r s ARG 529 Cb -0.19 -2.55 1.17 0.00 0.52 0.00 0.00 34.95 33.90 3c5r s ARG 529 CO 0.19 -0.02 1.68 -1.35 0.02 0.00 0.00 175.30 175.82 3c5r h PRO 530 N 0.53 0.28 0.00 3.54 0.11 -1.78 -0.29 132.00 134.38 3c5r h PRO 530 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3c5r h PRO 530 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3c5r h PRO 530 CO 0.61 0.18 -0.33 -0.24 -0.21 0.00 0.00 178.00 178.01 3c5r h VAL 531 N 0.29 0.91 0.00 3.15 3.04 -1.94 -1.68 116.25 120.01 3c5r h VAL 531 Ca 0.73 -1.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3c5r h VAL 531 Cb 1.85 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 3c5r h VAL 531 CO -0.50 0.33 0.00 0.47 -1.01 0.00 0.00 177.57 176.86 3c5r n ASP 532 N -3.66 0.00 -0.69 3.17 8.00 -0.12 -2.36 116.55 120.89 3c5r n ASP 532 Ca -0.01 -0.15 0.07 0.00 0.71 0.00 0.00 54.79 55.41 3c5r n ASP 532 Cb 0.44 -0.15 0.19 0.00 -0.02 0.00 0.00 41.12 41.58 3c5r n ASP 532 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3c5r n TYR 533 N -1.15 0.63 -3.99 1.24 4.01 -0.63 -4.97 117.16 112.29 3c5r n TYR 533 Ca 0.08 -0.68 -0.11 0.00 -0.16 0.00 0.00 57.90 57.04 3c5r n TYR 533 Cb 0.08 -0.15 -0.12 0.00 -0.31 0.00 0.00 39.34 38.84 3c5r n TYR 533 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3c5r s THR 534 N -1.84 0.21 0.00 -0.72 -1.32 -0.99 -4.22 115.64 106.76 3c5r s THR 534 Ca 0.30 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 3c5r s THR 534 Cb 0.21 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.90 3c5r s THR 534 CO 0.12 -0.36 0.72 0.47 -2.21 0.00 0.00 174.62 173.36 3c5r n ASP 535 N 1.89 1.34 -4.70 8.08 8.00 -1.26 -4.99 116.55 124.91 3c5r n ASP 535 Ca -0.21 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 3c5r n ASP 535 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 3c5r n ASP 535 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3c5r s ASP 536 N -0.50 7.03 0.27 -2.24 2.15 -1.26 -4.95 116.67 117.17 3c5r s ASP 536 Ca 0.00 1.95 0.02 0.00 0.43 0.00 0.00 52.55 54.95 3c5r s ASP 536 Cb 0.00 -2.57 0.37 0.00 -0.30 0.00 0.00 42.92 40.42 3c5r s ASP 536 CO 0.00 -0.56 1.69 -0.33 -0.17 0.00 0.00 175.17 175.80 3c5r h GLU 537 N 7.24 0.47 -0.65 4.34 4.39 -1.99 -0.89 114.58 127.50 3c5r h GLU 537 Ca -0.38 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 3c5r h GLU 537 Cb 1.19 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3c5r h GLU 537 CO 0.86 0.73 0.18 1.03 -1.16 0.00 0.00 179.01 180.64 3c5r h SER 538 N 0.40 0.96 -0.36 1.42 0.87 -2.00 -1.08 113.55 113.77 3c5r h SER 538 Ca 0.05 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 3c5r h SER 538 Cb 0.75 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3c5r h SER 538 CO 0.06 0.93 -0.07 -0.03 -0.53 0.00 0.00 176.83 177.18 3c5r h MET 539 N 0.95 0.69 -0.79 2.24 1.85 -1.92 -3.12 114.93 114.83 3c5r h MET 539 Ca 0.21 -0.26 0.01 0.00 -0.61 0.00 0.00 59.70 59.05 3c5r h MET 539 Cb 0.33 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 3c5r h MET 539 CO -0.00 0.84 0.52 0.87 -0.40 0.00 0.00 176.91 178.74 3c5r h LYS 540 N 0.49 1.04 0.00 0.39 1.57 -0.98 -2.03 116.57 117.05 3c5r h LYS 540 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3c5r h LYS 540 Cb 0.58 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3c5r h LYS 540 CO 0.03 0.69 -0.06 0.66 -0.57 0.00 0.00 179.45 180.21 3c5r h SER 541 N 1.07 0.00 0.94 0.86 4.64 -1.21 0.72 113.55 120.58 3c5r h SER 541 Ca 0.29 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 3c5r h SER 541 Cb -0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3c5r h SER 541 CO -0.06 0.06 -0.93 -0.07 -0.87 0.00 0.00 176.83 174.95 3c5r h LEU 542 N 0.00 0.00 0.00 5.97 4.07 -1.32 -3.37 115.31 120.66 3c5r h LEU 542 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3c5r h LEU 542 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3c5r h LEU 542 CO 0.01 0.93 -1.28 0.18 -1.08 0.00 0.00 178.44 177.20 3c5r n LEU 543 N -3.42 0.63 -4.67 1.67 4.77 -0.62 -4.97 117.00 110.39 3c5r n LEU 543 Ca -0.00 -0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 3c5r n LEU 543 Cb 0.88 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.90 3c5r n LEU 543 CO 0.46 0.16 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.65 3c5r s LEU 544 N -3.44 3.12 0.00 2.23 1.02 0.15 -4.92 118.68 116.84 3c5r s LEU 544 Ca 0.03 -0.85 0.13 0.00 0.02 0.00 0.00 54.13 53.46 3c5r s LEU 544 Cb 0.14 -1.56 0.80 0.00 0.02 0.00 0.00 46.19 45.59 3c5r s LEU 544 CO 0.83 -0.22 1.23 0.18 0.02 0.00 0.00 176.35 178.39