#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 2.93 0.13 0.54 0.08 -1.26 -5.00 117.98 115.39 3c5r s PHE -1 Ca 0.00 0.85 0.04 0.00 0.12 0.00 0.00 56.93 57.94 3c5r s PHE -1 Cb 0.00 -4.18 -0.04 0.00 -0.57 0.00 0.00 43.02 38.23 3c5r s PHE -1 CO 0.00 -1.10 -0.09 0.95 -0.10 0.00 0.00 175.22 174.88 3c5r s THR 0 N 4.17 1.01 1.00 0.64 -4.23 -1.26 -4.47 115.64 112.50 3c5r s THR 0 Ca 0.47 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 3c5r s THR 0 Cb -0.09 -1.79 0.22 0.00 1.34 0.00 0.00 72.50 72.17 3c5r s THR 0 CO 0.26 -0.79 1.30 0.54 -0.54 0.00 0.00 174.62 175.40 3c5r s ASN 425 N -3.13 2.80 0.46 3.99 2.20 -0.88 -4.85 114.94 115.53 3c5r s ASN 425 Ca 0.15 0.29 0.23 0.00 -0.94 0.00 0.00 52.86 52.59 3c5r s ASN 425 Cb 0.03 -0.33 1.28 0.00 -2.00 0.00 0.00 41.25 40.23 3c5r s ASN 425 CO -0.01 -2.93 1.68 1.12 -2.94 0.00 0.00 177.10 174.02 3c5r h HIS 426 N -1.78 0.00 -0.22 1.54 -0.00 -2.02 0.25 115.15 112.92 3c5r h HIS 426 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3c5r h HIS 426 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3c5r h HIS 426 CO -1.34 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 177.13 3c5r n ARG 427 N -2.45 2.25 -1.03 5.12 1.74 -1.26 -4.94 116.66 116.09 3c5r n ARG 427 Ca -0.02 -1.86 -0.01 0.00 -0.77 0.00 0.00 57.85 55.19 3c5r n ARG 427 Cb 0.24 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.37 0.49 3.71 -0.13 0.00 0.87 -0.47 105.19 111.04 3c5r n GLY 428 Ca 0.17 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.33 4.42 0.70 1.61 2.02 -1.26 -4.04 118.70 120.82 3c5r s GLU 429 Ca 0.00 0.92 -0.07 0.00 0.02 0.00 0.00 54.97 55.84 3c5r s GLU 429 Cb 0.00 -3.47 0.06 0.00 0.10 0.00 0.00 34.13 30.82 3c5r s GLU 429 CO 0.00 -0.00 1.02 0.95 0.02 0.00 0.00 175.26 177.24 3c5r s THR 430 N 1.02 2.44 0.34 3.63 -4.23 -1.26 -2.08 115.64 115.50 3c5r s THR 430 Ca 0.38 -0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 3c5r s THR 430 Cb -0.18 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.91 3c5r s THR 430 CO 0.18 -0.07 1.85 0.25 -0.54 0.00 0.00 174.62 176.29 3c5r h LEU 431 N -0.59 0.72 -0.43 4.79 5.85 -1.98 -1.88 115.31 121.80 3c5r h LEU 431 Ca -0.45 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3c5r h LEU 431 Cb 1.31 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3c5r h LEU 431 CO 0.61 0.35 0.21 0.25 -0.34 0.00 0.00 178.44 179.52 3c5r h LEU 432 N 0.75 0.55 -0.15 2.25 5.85 -1.96 0.61 115.31 123.21 3c5r h LEU 432 Ca 0.47 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.12 3c5r h LEU 432 Cb 0.71 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3c5r h LEU 432 CO -0.24 0.51 -0.17 0.45 -0.34 0.00 0.00 178.44 178.66 3c5r h HIS 433 N 0.55 -0.44 -0.33 1.25 3.86 -1.75 0.15 115.15 118.43 3c5r h HIS 433 Ca 0.15 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3c5r h HIS 433 Cb 0.10 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3c5r h HIS 433 CO -0.01 -0.25 0.17 0.82 0.86 0.00 0.00 177.93 179.52 3c5r h ILE 434 N -0.21 1.15 0.00 2.45 2.04 -1.14 0.13 117.51 121.93 3c5r h ILE 434 Ca 0.10 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3c5r h ILE 434 Cb 0.36 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3c5r h ILE 434 CO -0.27 0.15 -0.14 0.00 0.00 0.00 0.00 178.15 177.89 3c5r h ALA 435 N 1.03 1.47 0.13 1.87 0.00 -0.74 -2.11 119.26 120.90 3c5r h ALA 435 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3c5r h ALA 435 Cb 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.89 3c5r h ALA 435 CO -0.02 0.18 -1.25 0.77 0.00 0.00 0.00 179.25 178.93 3c5r h SER 436 N 0.00 0.84 -0.48 0.00 0.02 0.23 0.29 113.55 114.44 3c5r h SER 436 Ca -0.00 -0.78 0.04 0.00 -0.84 0.00 0.00 61.79 60.20 3c5r h SER 436 Cb 0.31 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3c5r h SER 436 CO 0.02 1.59 0.25 0.40 -1.14 0.00 0.00 176.83 177.94 3c5r h ILE 437 N 0.25 0.97 0.00 3.27 2.04 -0.66 -2.96 117.51 120.43 3c5r h ILE 437 Ca -0.19 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3c5r h ILE 437 Cb 1.93 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3c5r h ILE 437 CO 0.24 0.09 -0.08 0.11 0.00 0.00 0.00 178.15 178.51 3c5r h LYS 438 N 0.48 0.00 -1.41 2.37 1.57 -1.37 -3.47 116.57 114.74 3c5r h LYS 438 Ca 0.21 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 3c5r h LYS 438 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 3c5r h LYS 438 CO -0.14 0.08 -0.20 0.41 -0.57 0.00 0.00 179.45 179.02 3c5r n GLY 439 N 0.75 0.14 3.51 3.86 0.00 -0.39 -4.96 105.19 108.10 3c5r n GLY 439 Ca 0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3c5r n GLY 439 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c5r s ASP 440 N -2.76 6.48 0.11 1.61 -1.08 -0.05 -4.89 116.67 116.09 3c5r s ASP 440 Ca 0.04 -1.52 -0.25 0.00 -0.52 0.00 0.00 52.55 50.30 3c5r s ASP 440 Cb -0.02 -2.50 -0.10 0.00 -1.46 0.00 0.00 42.92 38.85 3c5r s ASP 440 CO 0.06 -1.38 1.68 0.40 0.52 0.00 0.00 175.17 176.44 3c5r h ILE 441 N 6.32 0.65 -0.73 4.11 2.04 -1.93 -0.78 117.51 127.19 3c5r h ILE 441 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 3c5r h ILE 441 Cb 1.02 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 3c5r h ILE 441 CO 1.28 0.00 0.32 -0.65 0.00 0.00 0.00 178.15 179.10 3c5r h PRO 442 N -0.29 0.49 0.09 2.37 0.11 -1.99 0.18 132.00 132.97 3c5r h PRO 442 Ca 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3c5r h PRO 442 Cb 0.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3c5r h PRO 442 CO -0.09 0.33 -0.04 0.77 -0.21 0.00 0.00 178.00 178.75 3c5r h SER 443 N 0.51 -0.10 -0.30 -2.05 0.02 -1.91 -0.98 113.55 108.73 3c5r h SER 443 Ca 0.39 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3c5r h SER 443 Cb 0.51 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3c5r h SER 443 CO -0.34 0.01 0.19 0.58 -1.14 0.00 0.00 176.83 176.13 3c5r h VAL 444 N -0.22 1.06 -0.36 2.27 2.07 -0.57 -0.90 116.25 119.60 3c5r h VAL 444 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3c5r h VAL 444 Cb 0.18 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3c5r h VAL 444 CO 0.02 0.07 0.22 -0.08 0.02 0.00 0.00 177.57 177.82 3c5r h GLU 445 N 0.38 0.44 -0.26 1.57 4.81 -0.62 -0.76 114.58 120.14 3c5r h GLU 445 Ca 0.11 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3c5r h GLU 445 Cb -0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3c5r h GLU 445 CO -0.04 0.29 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.47 3c5r h TYR 446 N 0.45 0.64 -0.18 0.92 3.20 -0.85 0.66 116.97 121.81 3c5r h TYR 446 Ca 0.14 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.86 3c5r h TYR 446 Cb -0.02 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3c5r h TYR 446 CO -0.07 0.82 0.06 -0.07 -1.64 0.00 0.00 178.16 177.26 3c5r h LEU 447 N 0.27 0.06 -0.61 2.82 3.38 -0.99 -0.56 115.31 119.68 3c5r h LEU 447 Ca 0.05 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3c5r h LEU 447 Cb 0.66 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3c5r h LEU 447 CO 0.04 0.06 0.04 -0.07 0.09 0.00 0.00 178.44 178.60 3c5r h LEU 448 N 0.14 1.02 -2.04 1.67 3.38 -1.09 -1.42 115.31 116.98 3c5r h LEU 448 Ca 0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3c5r h LEU 448 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3c5r h LEU 448 CO -0.08 1.06 -0.01 1.56 0.09 0.00 0.00 178.44 181.06 3c5r h GLN 449 N 0.95 0.00 -0.47 1.13 4.20 -0.61 -2.72 115.11 117.59 3c5r h GLN 449 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3c5r h GLN 449 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3c5r h GLN 449 CO 0.02 0.01 0.00 0.09 -0.67 0.00 0.00 178.83 178.28 3c5r n ASN 450 N -4.45 3.52 0.00 1.46 3.02 -0.24 -4.97 115.26 113.60 3c5r n ASN 450 Ca -0.03 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3c5r n ASN 450 Cb 0.10 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.43 1.18 3.67 7.41 0.00 -0.86 -5.05 105.19 112.97 3c5r n GLY 451 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 6.67 -0.21 1.61 0.15 -0.59 -4.95 113.70 114.38 3c5r s SER 452 Ca 0.00 2.28 -0.29 0.00 0.70 0.00 0.00 55.95 58.64 3c5r s SER 452 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3c5r s SER 452 CO 0.00 -0.90 1.63 -0.62 1.20 0.00 0.00 173.24 174.55 3c5r s ASP 453 N 3.09 6.38 0.00 5.45 2.15 -1.26 -4.65 116.67 127.83 3c5r s ASP 453 Ca 0.73 1.67 0.29 0.00 0.43 0.00 0.00 52.55 55.67 3c5r s ASP 453 Cb -0.34 -2.53 1.52 0.00 -0.30 0.00 0.00 42.92 41.26 3c5r s ASP 453 CO 0.30 -1.25 2.02 -0.81 -0.17 0.00 0.00 175.17 175.25 3c5r n PRO 454 N 7.65 0.53 -3.20 4.34 -0.04 -1.26 -4.28 135.00 138.74 3c5r n PRO 454 Ca 0.19 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.22 3c5r n PRO 454 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.22 5.42 -3.72 3.54 3.02 -1.26 -4.39 115.26 116.65 3c5r n ASN 455 Ca 0.16 -3.02 -0.12 0.00 -0.03 0.00 0.00 54.58 51.57 3c5r n ASN 455 Cb 0.20 -1.45 -0.11 0.00 -0.61 0.00 0.00 39.78 37.81 3c5r n ASN 455 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3c5r s VAL 456 N -0.25 -0.01 -0.03 2.41 0.11 -1.26 -5.13 120.40 116.24 3c5r s VAL 456 Ca 0.35 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 3c5r s VAL 456 Cb -0.07 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3c5r s VAL 456 CO -0.05 0.02 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.13 3c5r s LYS 457 N 0.82 2.63 0.44 1.54 1.02 -1.26 -4.05 119.74 120.88 3c5r s LYS 457 Ca -0.05 -0.65 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 3c5r s LYS 457 Cb -0.06 -2.53 0.10 0.00 -0.52 0.00 0.00 37.83 34.83 3c5r s LYS 457 CO -0.06 0.63 0.58 -0.40 -0.92 0.00 0.00 175.35 175.18 3c5r n ASP 458 N 1.89 -0.08 -0.11 2.83 5.68 -0.30 -4.90 116.55 121.55 3c5r n ASP 458 Ca -0.17 -1.18 0.01 0.00 -0.50 0.00 0.00 54.79 52.95 3c5r n ASP 458 Cb 0.53 -0.45 0.29 0.00 -1.14 0.00 0.00 41.12 40.34 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 -1.40 0.76 0.00 2.11 3.86 -0.98 -2.59 115.15 116.91 3c5r h HIS 459 Ca -0.19 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 3c5r h HIS 459 Cb 0.53 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3c5r h HIS 459 CO 0.00 0.55 -0.09 0.00 0.86 0.00 0.00 177.93 179.25 3c5r h ALA 460 N 1.54 0.98 0.00 2.45 0.00 -1.93 -3.47 119.26 118.83 3c5r h ALA 460 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3c5r h ALA 460 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3c5r h ALA 460 CO -0.03 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3c5r n GLY 461 N 0.41 1.25 3.74 0.00 0.00 -0.98 -4.04 105.19 105.57 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 3.32 0.21 1.61 0.52 -1.26 -3.83 118.94 117.51 3c5r s TRP 462 Ca 0.00 1.32 0.04 0.00 0.02 0.00 0.00 56.10 57.48 3c5r s TRP 462 Cb 0.00 -3.53 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 3c5r s TRP 462 CO 0.00 -1.57 0.34 0.95 0.02 0.00 0.00 176.95 176.69 3c5r s THR 463 N -0.04 5.27 0.40 2.01 -4.23 -1.26 -1.15 115.64 116.65 3c5r s THR 463 Ca 0.54 -0.84 0.18 0.00 -1.18 0.00 0.00 61.69 60.39 3c5r s THR 463 Cb -0.35 -3.82 0.39 0.00 1.34 0.00 0.00 72.50 70.06 3c5r s THR 463 CO 0.38 -0.25 1.80 -0.65 -0.54 0.00 0.00 174.62 175.36 3c5r h PRO 464 N 1.51 0.40 -0.47 3.99 0.11 -1.77 -1.36 132.00 134.42 3c5r h PRO 464 Ca -0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3c5r h PRO 464 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3c5r h PRO 464 CO 0.64 0.27 0.17 1.25 -0.21 0.00 0.00 178.00 180.12 3c5r h LEU 465 N 0.42 0.67 -0.53 2.35 5.85 -1.94 -1.44 115.31 120.68 3c5r h LEU 465 Ca 0.55 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 59.14 3c5r h LEU 465 Cb 1.36 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3c5r h LEU 465 CO -0.25 0.67 0.24 0.45 -0.34 0.00 0.00 178.44 179.21 3c5r h HIS 466 N 0.62 0.43 -0.24 1.25 3.86 -1.65 -1.70 115.15 117.72 3c5r h HIS 466 Ca 0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3c5r h HIS 466 Cb 0.23 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3c5r h HIS 466 CO 0.01 0.18 0.14 0.93 0.86 0.00 0.00 177.93 180.05 3c5r h GLU 467 N 0.46 0.33 -0.49 2.45 4.39 -1.20 -1.35 114.58 119.16 3c5r h GLU 467 Ca 0.25 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 3c5r h GLU 467 Cb 0.21 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3c5r h GLU 467 CO -0.21 0.28 0.09 0.00 -1.16 0.00 0.00 179.01 178.02 3c5r h ALA 468 N 1.04 1.25 -0.29 3.43 0.00 -1.02 -1.56 119.26 122.10 3c5r h ALA 468 Ca 0.09 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3c5r h ALA 468 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3c5r h ALA 468 CO -0.02 0.52 -0.39 0.00 0.00 0.00 0.00 179.25 179.36 3c5r h ASN 470 N 0.54 0.89 -0.22 0.00 -0.73 -1.06 -3.16 115.58 111.84 3c5r h ASN 470 Ca 0.03 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 57.99 3c5r h ASN 470 Cb 0.99 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.34 3c5r h ASN 470 CO 0.09 0.87 0.00 1.41 -0.37 0.00 0.00 177.43 179.43 3c5r n HIS 471 N -4.38 0.28 -1.64 0.67 8.25 -0.60 -4.82 115.22 112.97 3c5r n HIS 471 Ca 0.03 -0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.31 3c5r n HIS 471 Cb 0.22 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 1.25 0.45 3.44 -1.41 0.00 -0.67 -4.98 105.19 103.26 3c5r n GLY 472 Ca 0.17 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.21 3.51 0.13 1.61 3.76 -0.18 -4.91 115.29 117.00 3c5r s HIS 473 Ca 0.00 -2.01 -0.23 0.00 -0.15 0.00 0.00 55.06 52.67 3c5r s HIS 473 Cb 0.00 -4.22 -0.02 0.00 1.11 0.00 0.00 32.58 29.44 3c5r s HIS 473 CO 0.00 -1.35 1.66 1.25 -0.85 0.00 0.00 174.74 175.45 3c5r h LEU 474 N 9.43 -0.57 -1.10 0.89 5.85 -1.94 -0.41 115.31 127.45 3c5r h LEU 474 Ca 0.25 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3c5r h LEU 474 Cb 0.92 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3c5r h LEU 474 CO 1.16 -0.24 0.57 0.50 -0.34 0.00 0.00 178.44 180.09 3c5r h LYS 475 N -0.25 1.17 -0.29 1.25 1.63 -1.99 -0.22 116.57 117.89 3c5r h LYS 475 Ca 0.09 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 3c5r h LYS 475 Cb 0.38 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3c5r h LYS 475 CO -0.25 0.79 0.06 0.28 -3.45 0.00 0.00 179.45 176.88 3c5r h VAL 476 N 1.20 1.22 -0.28 2.00 2.07 -1.83 -0.70 116.25 119.94 3c5r h VAL 476 Ca 0.32 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3c5r h VAL 476 Cb -0.11 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3c5r h VAL 476 CO -0.07 0.24 -0.19 0.58 0.02 0.00 0.00 177.57 178.16 3c5r h VAL 477 N 0.29 0.48 -0.31 2.57 2.07 -0.46 -1.47 116.25 119.42 3c5r h VAL 477 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3c5r h VAL 477 Cb 0.31 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3c5r h VAL 477 CO 0.00 0.00 0.18 -0.08 0.02 0.00 0.00 177.57 177.69 3c5r h GLU 478 N -0.17 0.35 -0.69 1.57 4.81 -0.87 -1.27 114.58 118.32 3c5r h GLU 478 Ca 0.15 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.46 3c5r h GLU 478 Cb 0.39 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.62 3c5r h GLU 478 CO -0.38 0.23 0.30 -0.07 -0.73 0.00 0.00 179.01 178.36 3c5r h LEU 479 N 0.36 0.34 -0.13 1.64 3.38 -0.92 0.37 115.31 120.34 3c5r h LEU 479 Ca 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3c5r h LEU 479 Cb 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3c5r h LEU 479 CO -0.06 0.18 0.06 -0.07 0.09 0.00 0.00 178.44 178.64 3c5r h LEU 480 N 0.50 0.18 -0.75 1.67 3.38 -0.68 -1.31 115.31 118.30 3c5r h LEU 480 Ca 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3c5r h LEU 480 Cb 0.43 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3c5r h LEU 480 CO -0.31 0.28 0.43 -0.07 0.09 0.00 0.00 178.44 178.86 3c5r h LEU 481 N 0.06 0.91 -1.69 1.67 3.38 -1.04 -1.44 115.31 117.16 3c5r h LEU 481 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3c5r h LEU 481 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3c5r h LEU 481 CO -0.00 0.72 0.05 1.56 0.09 0.00 0.00 178.44 180.86 3c5r h GLN 482 N 1.03 0.24 -0.70 1.13 4.20 -0.63 -1.94 115.11 118.44 3c5r h GLN 482 Ca 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3c5r h GLN 482 Cb -0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3c5r h GLN 482 CO -0.05 0.23 0.00 0.72 -0.67 0.00 0.00 178.83 179.06 3c5r n HIS 483 N -4.44 1.48 -1.66 2.96 8.25 -0.52 -4.92 115.22 116.37 3c5r n HIS 483 Ca -0.00 -0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 56.93 3c5r n HIS 483 Cb 0.13 -0.39 -0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 0.46 -0.10 -1.95 -0.41 5.02 -0.73 -4.73 118.16 115.73 3c5r n LYS 484 Ca 0.20 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 3c5r n LYS 484 Cb 0.92 -3.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.09 3c5r n LYS 484 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3c5r s ALA 485 N -2.06 3.71 -0.18 7.82 0.00 -0.63 -4.85 121.76 125.57 3c5r s ALA 485 Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3c5r s ALA 485 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3c5r s ALA 485 CO 0.00 -0.95 1.72 -0.51 0.00 0.00 0.00 175.76 176.02 3c5r s LEU 486 N 1.98 3.95 0.50 0.00 1.43 -1.26 -4.64 118.68 120.63 3c5r s LEU 486 Ca 0.72 1.82 0.21 0.00 -1.03 0.00 0.00 54.13 55.84 3c5r s LEU 486 Cb -0.41 -3.53 1.28 0.00 0.03 0.00 0.00 46.19 43.56 3c5r s LEU 486 CO 0.32 -1.27 2.07 1.62 0.23 0.00 0.00 176.35 179.31 3c5r h VAL 487 N 6.13 0.87 -0.52 -1.59 3.04 -1.91 -3.09 116.25 119.18 3c5r h VAL 487 Ca -0.37 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3c5r h VAL 487 Cb 1.17 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3c5r h VAL 487 CO 0.99 0.12 0.00 0.59 -1.01 0.00 0.00 177.57 178.26 3c5r n ASN 488 N -4.07 3.45 -4.75 3.17 3.02 -1.26 -4.34 115.26 110.47 3c5r n ASN 488 Ca -0.02 -2.04 -0.41 0.00 -0.03 0.00 0.00 54.58 52.07 3c5r n ASN 488 Cb 0.21 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 3c5r n ASN 488 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3c5r s THR 489 N -1.08 2.05 0.04 3.41 2.01 -1.17 -4.87 115.64 116.03 3c5r s THR 489 Ca 0.35 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.13 3c5r s THR 489 Cb 0.19 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3c5r s THR 489 CO 0.23 0.01 0.82 0.42 -0.69 0.00 0.00 174.62 175.41 3c5r s THR 490 N -0.05 4.73 0.00 -0.82 -4.23 -1.26 -4.04 115.64 109.96 3c5r s THR 490 Ca 0.63 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.88 3c5r s THR 490 Cb -0.48 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.19 3c5r s THR 490 CO 0.49 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 3c5r n GLY 491 N 2.48 4.33 3.65 3.99 0.00 0.19 -4.91 105.19 114.91 3c5r n GLY 491 Ca -0.01 -1.65 -0.46 0.00 0.00 0.00 0.00 46.02 43.90 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 2.07 -1.71 1.61 9.36 -1.25 -1.13 117.16 126.11 3c5r n TYR 492 Ca 0.00 0.41 -0.16 0.00 3.32 0.00 0.00 57.90 61.47 3c5r n TYR 492 Cb 0.00 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.19 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 2.62 -1.51 -1.72 2.98 6.02 -1.26 -1.53 117.38 122.98 3c5r n GLN 493 Ca 0.15 0.92 -0.19 0.00 -0.01 0.00 0.00 57.00 57.86 3c5r n GLN 493 Cb 0.28 -5.30 -0.07 0.00 1.02 0.00 0.00 30.24 26.17 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 -1.11 -5.38 -4.75 1.08 4.13 -0.29 -1.15 115.26 107.79 3c5r n ASN 494 Ca -0.17 0.38 -0.41 0.00 1.68 0.00 0.00 54.58 56.06 3c5r n ASN 494 Cb 0.56 -4.55 -0.02 0.00 -1.54 0.00 0.00 39.78 34.23 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 -2.67 6.70 0.58 6.41 1.01 -0.58 -4.12 116.67 124.01 3c5r s ASP 495 Ca 0.00 2.64 -0.09 0.00 0.71 0.00 0.00 52.55 55.81 3c5r s ASP 495 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3c5r s ASP 495 CO 0.00 -0.65 0.95 -0.94 0.21 0.00 0.00 175.17 174.74 3c5r s SER 496 N 0.20 6.15 0.42 0.27 1.04 -1.26 -0.64 113.70 119.88 3c5r s SER 496 Ca 0.57 1.21 0.20 0.00 0.48 0.00 0.00 55.95 58.41 3c5r s SER 496 Cb -0.41 -2.32 1.14 0.00 0.10 0.00 0.00 66.02 64.54 3c5r s SER 496 CO 0.45 -0.82 1.82 -0.65 0.98 0.00 0.00 173.24 175.01 3c5r h PRO 497 N -0.17 0.34 -0.68 4.02 0.11 -1.76 -1.35 132.00 132.52 3c5r h PRO 497 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3c5r h PRO 497 Cb 1.20 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3c5r h PRO 497 CO 0.62 0.23 0.17 1.25 -0.21 0.00 0.00 178.00 180.06 3c5r h LEU 498 N 0.35 1.02 0.00 2.35 5.85 -1.94 -2.09 115.31 120.87 3c5r h LEU 498 Ca 0.53 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3c5r h LEU 498 Cb 1.41 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3c5r h LEU 498 CO -0.20 0.98 -0.21 0.45 -0.34 0.00 0.00 178.44 179.12 3c5r h HIS 499 N 1.03 -0.55 -0.67 1.25 3.86 -1.62 0.38 115.15 118.82 3c5r h HIS 499 Ca 0.22 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 3c5r h HIS 499 Cb 0.36 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 3c5r h HIS 499 CO 0.03 -0.29 0.35 -0.44 0.86 0.00 0.00 177.93 178.43 3c5r h ASP 500 N -0.33 0.48 -0.23 2.45 3.32 -1.22 0.14 116.42 121.03 3c5r h ASP 500 Ca 0.06 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 3c5r h ASP 500 Cb 0.41 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3c5r h ASP 500 CO -0.19 0.29 -0.42 0.00 -1.72 0.00 0.00 179.24 177.20 3c5r h ALA 501 N 1.39 0.36 0.26 3.45 0.00 -1.28 -2.77 119.26 120.66 3c5r h ALA 501 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3c5r h ALA 501 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3c5r h ALA 501 CO -0.23 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 3c5r h ALA 502 N 0.62 -0.35 -0.87 0.00 0.00 -0.61 -1.10 119.26 116.95 3c5r h ALA 502 Ca 0.01 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.00 3c5r h ALA 502 Cb 1.02 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3c5r h ALA 502 CO 0.09 -0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 178.42 3c5r h LYS 503 N -0.47 0.04 -0.57 0.00 3.64 -0.82 -2.54 116.57 115.85 3c5r h LYS 503 Ca -0.04 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3c5r h LYS 503 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3c5r h LYS 503 CO 0.06 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 3c5r n ASN 504 N -5.47 3.11 -1.09 4.20 4.13 -1.04 -4.93 115.26 114.16 3c5r n ASN 504 Ca 0.16 -2.05 -0.10 0.00 1.68 0.00 0.00 54.58 54.27 3c5r n ASN 504 Cb 0.55 -0.39 -0.01 0.00 -1.54 0.00 0.00 39.78 38.38 3c5r n ASN 504 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3c5r n GLY 505 N 1.33 0.13 3.38 7.41 0.00 -0.96 -4.96 105.19 111.51 3c5r n GLY 505 Ca 0.19 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.48 3.80 0.18 1.61 3.76 -0.45 -4.88 115.29 116.83 3c5r s HIS 506 Ca 0.00 -2.18 -0.12 0.00 -0.15 0.00 0.00 55.06 52.61 3c5r s HIS 506 Cb 0.00 -3.99 0.09 0.00 1.11 0.00 0.00 32.58 29.79 3c5r s HIS 506 CO 0.00 -1.13 1.78 -0.39 -0.85 0.00 0.00 174.74 174.15 3c5r h VAL 507 N 4.51 1.21 -0.73 -0.90 -1.51 -1.93 -1.76 116.25 115.15 3c5r h VAL 507 Ca 0.18 -0.57 0.09 0.00 -1.23 0.00 0.00 66.70 65.18 3c5r h VAL 507 Cb 0.95 0.44 -0.07 0.00 -2.13 0.00 0.00 31.29 30.48 3c5r h VAL 507 CO 0.99 0.24 0.37 -2.24 -1.23 0.00 0.00 177.57 175.70 3c5r h ASP 508 N 0.85 0.50 0.29 4.19 3.04 -1.98 -1.38 116.42 121.93 3c5r h ASP 508 Ca 0.22 0.06 -0.15 0.00 -3.24 0.00 0.00 57.03 53.91 3c5r h ASP 508 Cb 0.09 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 3c5r h ASP 508 CO -0.03 0.28 -0.61 0.40 -2.04 0.00 0.00 179.24 177.25 3c5r h ILE 509 N 0.63 1.37 -0.21 4.15 2.04 -1.87 -2.15 117.51 121.48 3c5r h ILE 509 Ca 0.36 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 3c5r h ILE 509 Cb 0.37 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3c5r h ILE 509 CO -0.26 0.59 0.11 0.58 0.00 0.00 0.00 178.15 179.16 3c5r h VAL 510 N 0.23 1.12 -0.66 1.67 2.07 -0.67 -0.41 116.25 119.59 3c5r h VAL 510 Ca -0.01 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3c5r h VAL 510 Cb 1.12 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3c5r h VAL 510 CO 0.10 0.12 0.35 0.11 0.02 0.00 0.00 177.57 178.26 3c5r h LYS 511 N 0.22 0.61 -0.43 1.57 1.57 -1.13 -1.04 116.57 117.94 3c5r h LYS 511 Ca 0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3c5r h LYS 511 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3c5r h LYS 511 CO -0.01 0.41 -0.09 1.25 -0.57 0.00 0.00 179.45 180.44 3c5r h LEU 512 N 0.63 0.82 -0.00 2.94 5.85 -1.06 -1.33 115.31 123.16 3c5r h LEU 512 Ca 0.31 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3c5r h LEU 512 Cb 0.24 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3c5r h LEU 512 CO -0.21 0.98 0.00 -0.07 -0.34 0.00 0.00 178.44 178.80 3c5r h LEU 513 N 0.64 0.00 -0.62 2.25 3.38 -0.81 -2.58 115.31 117.57 3c5r h LEU 513 Ca 0.11 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3c5r h LEU 513 Cb 0.62 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3c5r h LEU 513 CO 0.04 0.15 0.28 -0.07 0.09 0.00 0.00 178.44 178.93 3c5r h LEU 514 N -0.15 0.35 -2.04 1.67 3.38 -1.13 -0.94 115.31 116.45 3c5r h LEU 514 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3c5r h LEU 514 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3c5r h LEU 514 CO -0.00 0.21 0.00 0.77 0.09 0.00 0.00 178.44 179.51 3c5r h SER 515 N 0.50 0.00 -0.26 -0.43 4.64 -0.87 0.16 113.55 117.30 3c5r h SER 515 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3c5r h SER 515 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3c5r h SER 515 CO -0.25 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.49 3c5r n TYR 516 N -2.58 0.32 -0.26 4.77 4.01 -0.43 -4.96 117.16 118.04 3c5r n TYR 516 Ca -0.02 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3c5r n TYR 516 Cb 0.05 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.33 0.85 3.59 2.72 0.00 0.56 -4.92 105.19 109.33 3c5r n GLY 517 Ca 0.16 -0.16 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.21 -0.59 -2.31 4.61 0.00 -0.79 -4.86 120.51 115.36 3c5r n ALA 518 Ca 0.00 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.47 3c5r n ALA 518 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 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 0.03 6.24 0.27 0.00 0.01 -1.26 -4.71 113.70 114.27 3c5r s SER 519 Ca 0.73 0.80 -0.02 0.00 1.31 0.00 0.00 55.95 58.78 3c5r s SER 519 Cb -0.83 -2.54 0.45 0.00 0.21 0.00 0.00 66.02 63.31 3c5r s SER 519 CO 0.52 -1.52 1.85 -0.09 0.41 0.00 0.00 173.24 174.41 3c5r h ARG 520 N 11.09 1.02 -0.30 12.44 2.43 -1.96 -2.66 114.38 136.44 3c5r h ARG 520 Ca -0.28 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.70 3c5r h ARG 520 Cb 1.11 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.36 3c5r h ARG 520 CO 1.09 0.67 -0.06 0.09 -1.51 0.00 0.00 179.97 180.25 3c5r n ASN 521 N -4.58 2.78 -4.62 -3.80 3.02 -1.26 -4.48 115.26 102.31 3c5r n ASN 521 Ca 0.16 -3.57 -0.40 0.00 -0.03 0.00 0.00 54.58 50.75 3c5r n ASN 521 Cb 0.25 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.85 3c5r n ASN 521 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c5r n ALA 522 N -1.00 0.31 -2.40 5.41 0.00 -1.01 -4.87 120.51 116.95 3c5r n ALA 522 Ca 0.29 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 3c5r n ALA 522 Cb 0.98 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.38 2.54 0.00 0.00 -7.23 -1.26 -4.16 120.40 108.91 3c5r s VAL 523 Ca 0.68 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 3c5r s VAL 523 Cb -0.49 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3c5r s VAL 523 CO 0.53 0.48 0.00 -0.46 -0.31 0.00 0.00 175.10 175.34 3c5r n ASN 524 N 2.05 0.00 0.30 4.85 0.23 -0.81 -4.86 115.26 117.02 3c5r n ASN 524 Ca -0.16 -0.82 0.19 0.00 -0.53 0.00 0.00 54.58 53.25 3c5r n ASN 524 Cb 0.52 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.14 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 -0.65 0.08 -0.00 1.53 3.07 -1.38 -1.11 117.51 119.05 3c5r h ILE 525 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 3c5r h ILE 525 Cb 0.00 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 3c5r h ILE 525 CO 0.00 0.02 -0.06 0.49 -1.05 0.00 0.00 178.15 177.55 3c5r n PHE 526 N -3.17 0.00 -1.08 0.16 3.72 -1.26 -4.90 117.46 110.94 3c5r n PHE 526 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 3c5r n PHE 526 Cb 0.20 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.19 0.60 3.86 1.37 0.00 -0.42 -5.03 105.19 106.75 3c5r n GLY 527 Ca 0.18 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.61 4.25 0.42 0.99 1.43 -1.26 -4.82 118.68 119.08 3c5r s LEU 528 Ca 0.00 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3c5r s LEU 528 Cb 0.00 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3c5r s LEU 528 CO 0.00 0.36 0.64 -0.13 0.23 0.00 0.00 176.35 177.45 3c5r s ARG 529 N -1.31 3.17 0.34 1.70 0.52 -1.26 -1.92 118.95 120.20 3c5r s ARG 529 Ca 0.19 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 55.00 3c5r s ARG 529 Cb -0.12 -2.59 0.74 0.00 0.52 0.00 0.00 34.95 33.50 3c5r s ARG 529 CO 0.08 -0.16 1.88 -1.35 0.02 0.00 0.00 175.30 175.77 3c5r h PRO 530 N 0.49 0.75 0.00 3.54 0.11 -1.79 -0.37 132.00 134.74 3c5r h PRO 530 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3c5r h PRO 530 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3c5r h PRO 530 CO 0.58 0.50 -0.08 -0.24 -0.21 0.00 0.00 178.00 178.55 3c5r h VAL 531 N 0.78 0.70 0.00 3.15 3.04 -1.94 -1.72 116.25 120.26 3c5r h VAL 531 Ca 0.43 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 3c5r h VAL 531 Cb 0.58 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3c5r h VAL 531 CO -0.20 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 176.91 3c5r n ASP 532 N -3.93 0.00 -0.41 3.17 8.00 -0.15 -2.45 116.55 120.79 3c5r n ASP 532 Ca -0.02 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.54 3c5r n ASP 532 Cb 0.17 -0.21 0.13 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.21 0.35 -3.89 1.24 4.01 -0.64 -5.00 117.16 112.02 3c5r n TYR 533 Ca 0.06 -0.69 -0.11 0.00 -0.16 0.00 0.00 57.90 57.00 3c5r n TYR 533 Cb 0.07 -0.12 -0.13 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.79 0.04 -1.81 -0.72 -1.32 -1.02 -4.44 115.64 104.57 3c5r s THR 534 Ca 0.23 -0.30 0.15 0.00 -1.21 0.00 0.00 61.69 60.56 3c5r s THR 534 Cb 0.17 -0.15 0.11 0.00 -1.51 0.00 0.00 72.50 71.12 3c5r s THR 534 CO 0.07 -0.16 0.96 -0.67 -2.21 0.00 0.00 174.62 172.60 3c5r n ASP 535 N 2.54 2.18 -4.70 8.08 2.03 -1.26 -4.96 116.55 120.47 3c5r n ASP 535 Ca -0.16 -1.59 -0.42 0.00 0.52 0.00 0.00 54.79 53.14 3c5r n ASP 535 Cb 0.58 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.98 3c5r n ASP 535 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3c5r s ASP 536 N -1.25 6.85 0.16 1.67 2.15 -1.26 -4.95 116.67 120.04 3c5r s ASP 536 Ca 0.17 2.18 -0.15 0.00 0.43 0.00 0.00 52.55 55.18 3c5r s ASP 536 Cb 0.12 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 3c5r s ASP 536 CO 0.19 -0.69 1.76 -0.33 -0.17 0.00 0.00 175.17 175.94 3c5r h GLU 537 N 7.49 0.67 -0.37 4.34 4.39 -1.98 -0.15 114.58 128.97 3c5r h GLU 537 Ca -0.40 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 3c5r h GLU 537 Cb 1.19 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3c5r h GLU 537 CO 0.89 0.53 0.17 0.77 -1.16 0.00 0.00 179.01 180.20 3c5r h SER 538 N 0.63 0.46 0.01 1.42 0.02 -2.00 -1.34 113.55 112.76 3c5r h SER 538 Ca 0.17 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3c5r h SER 538 Cb 0.06 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.49 3c5r h SER 538 CO -0.03 0.40 -0.23 -0.03 -1.14 0.00 0.00 176.83 175.81 3c5r h MET 539 N 0.51 0.13 -0.30 3.45 1.85 -1.89 -3.25 114.93 115.44 3c5r h MET 539 Ca 0.13 -0.16 0.05 0.00 -0.61 0.00 0.00 59.70 59.11 3c5r h MET 539 Cb 0.08 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 3c5r h MET 539 CO -0.02 0.95 0.21 0.87 -0.40 0.00 0.00 176.91 178.52 3c5r h LYS 540 N -0.61 0.19 0.00 0.39 1.57 -0.92 -2.38 116.57 114.82 3c5r h LYS 540 Ca -0.03 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3c5r h LYS 540 Cb 1.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3c5r h LYS 540 CO 0.04 0.13 -0.47 0.66 -0.57 0.00 0.00 179.45 179.24 3c5r h SER 541 N 0.20 0.00 1.27 0.86 4.64 -1.29 -0.31 113.55 118.92 3c5r h SER 541 Ca 0.13 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 3c5r h SER 541 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3c5r h SER 541 CO -0.02 0.47 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.66 3c5r h LEU 542 N 0.00 0.00 0.00 5.97 3.38 -1.47 -3.37 115.31 119.82 3c5r h LEU 542 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3c5r h LEU 542 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3c5r h LEU 542 CO 0.06 0.68 -1.68 0.18 0.09 0.00 0.00 178.44 177.77 3c5r n LEU 543 N -3.30 0.31 -4.76 1.67 4.77 -1.06 -4.96 117.00 109.67 3c5r n LEU 543 Ca 0.01 -0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 55.61 3c5r n LEU 543 Cb 0.80 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 3c5r n LEU 543 CO 0.43 0.08 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.62 3c5r s LEU 544 N -4.04 3.36 0.30 2.23 1.43 -0.15 -4.92 118.68 116.90 3c5r s LEU 544 Ca -0.03 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3c5r s LEU 544 Cb 0.14 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 3c5r s LEU 544 CO 0.89 -0.27 0.78 -0.76 0.23 0.00 0.00 176.35 177.22 3c5r s LEU 545 N -3.87 4.19 0.00 1.79 1.43 -1.26 -4.81 118.68 116.15 3c5r s LEU 545 Ca 0.38 1.45 0.22 0.00 -1.03 0.00 0.00 54.13 55.14 3c5r s LEU 545 Cb -0.04 -3.94 1.30 0.00 0.03 0.00 0.00 46.19 43.54 3c5r s LEU 545 CO 0.23 -0.11 1.68 -0.81 0.23 0.00 0.00 176.35 177.57