#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1toz s ASP 412 N 0.00 1.06 0.33 1.08 2.15 -1.26 -4.91 116.67 115.13 1toz s ASP 412 Ca 0.00 -1.55 -0.20 0.00 0.43 0.00 0.00 52.55 51.23 1toz s ASP 412 Cb 0.00 0.59 -0.10 0.00 -0.30 0.00 0.00 42.92 43.11 1toz s ASP 412 CO 0.00 -1.16 0.84 0.54 -0.17 0.00 0.00 175.17 175.22 1toz s VAL 413 N -3.36 4.48 -1.20 1.11 0.11 -1.26 -4.96 120.40 115.32 1toz s VAL 413 Ca 0.35 1.34 -0.12 0.00 -2.93 0.00 0.00 61.98 60.62 1toz s VAL 413 Cb 0.01 -3.74 0.19 0.00 -1.53 0.00 0.00 36.38 31.32 1toz s VAL 413 CO 0.22 -0.08 1.44 -0.67 -3.33 0.00 0.00 175.10 172.68 1toz n ASP 414 N -0.04 5.30 0.30 3.54 4.64 -1.26 -4.59 116.55 124.44 1toz n ASP 414 Ca 0.03 -3.02 0.16 0.00 -1.38 0.00 0.00 54.79 50.58 1toz n ASP 414 Cb 0.52 -1.52 0.86 0.00 -1.04 0.00 0.00 41.12 39.95 1toz n ASP 414 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1toz h GLU 415 N 6.81 0.00 0.00 -0.67 3.07 -1.90 1.79 114.58 123.68 1toz h GLU 415 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1toz h GLU 415 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1toz h GLU 415 CO 1.26 0.00 -0.22 0.00 -1.40 0.00 0.00 179.01 178.65 1toz n SER 417 N -2.35 0.64 0.00 0.00 2.88 0.56 -4.54 113.62 110.82 1toz n SER 417 Ca 0.04 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1toz n SER 417 Cb 0.45 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1toz n SER 417 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1toz n LEU 418 N -1.30 0.00 -0.39 2.46 4.77 0.15 -4.92 117.00 117.77 1toz n LEU 418 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1toz n LEU 418 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1toz n LEU 418 CO 0.22 0.00 0.22 0.61 -1.33 0.00 0.00 177.39 177.11 1toz n GLY 419 N 2.12 0.37 2.81 -0.72 0.00 -1.25 -5.01 105.19 103.50 1toz n GLY 419 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1toz n GLY 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1toz s ALA 420 N 0.00 2.64 -0.38 4.61 0.00 -0.93 -5.06 121.76 122.64 1toz s ALA 420 Ca 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.02 1toz s ALA 420 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.20 1toz s ALA 420 CO 0.00 -2.05 0.16 1.21 0.00 0.00 0.00 175.76 175.08 1toz s ASN 421 N 0.05 5.26 0.12 0.00 2.47 -1.26 -3.76 114.94 117.80 1toz s ASN 421 Ca 0.18 -1.64 -0.08 0.00 0.42 0.00 0.00 52.86 51.73 1toz s ASN 421 Cb -0.24 -1.84 -0.12 0.00 -1.45 0.00 0.00 41.25 37.60 1toz s ASN 421 CO -0.01 -0.45 1.29 1.55 -3.72 0.00 0.00 177.10 175.77 1toz h PRO 422 N 8.13 0.58 -0.71 0.43 0.13 -1.93 -3.04 132.00 135.59 1toz h PRO 422 Ca -0.18 -0.56 0.21 0.00 -0.87 0.00 0.00 66.00 64.59 1toz h PRO 422 Cb 1.06 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1toz h PRO 422 CO 0.66 1.18 0.93 0.00 -0.23 0.00 0.00 178.00 180.55 1toz n GLU 424 N -3.29 0.00 0.00 0.00 1.02 -1.15 -3.01 120.64 114.21 1toz n GLU 424 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1toz n GLU 424 Cb 1.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.59 1toz n GLU 424 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1toz n HIS 425 N 0.00 -0.65 -3.51 -0.32 8.25 -1.26 -5.04 115.22 112.69 1toz n HIS 425 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1toz n HIS 425 Cb 0.00 0.22 -0.08 0.00 1.12 0.00 0.00 29.99 31.25 1toz n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1toz s ALA 426 N -1.44 3.44 0.00 -1.41 0.00 -1.16 -4.99 121.76 116.20 1toz s ALA 426 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1toz s ALA 426 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1toz s ALA 426 CO 0.00 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1toz n GLY 427 N 4.98 1.79 3.78 0.00 0.00 -1.26 -3.96 105.19 110.51 1toz n GLY 427 Ca -0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1toz n GLY 427 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1toz s LYS 428 N -2.00 3.46 -0.18 1.61 2.36 -0.98 -4.92 119.74 119.09 1toz s LYS 428 Ca 0.00 -0.24 0.01 0.00 -2.55 0.00 0.00 55.97 53.19 1toz s LYS 428 Cb 0.00 -3.11 0.02 0.00 -1.05 0.00 0.00 37.83 33.70 1toz s LYS 428 CO 0.00 0.65 -0.17 0.00 1.55 0.00 0.00 175.35 177.38 1toz s ILE 430 N 1.35 1.75 -0.12 0.00 -0.00 1.03 -4.95 121.20 120.26 1toz s ILE 430 Ca 0.04 -2.03 -0.02 0.00 -0.00 0.00 0.00 60.65 58.64 1toz s ILE 430 Cb -0.14 -2.86 -0.03 0.00 -0.00 0.00 0.00 42.46 39.43 1toz s ILE 430 CO -0.12 -0.04 -0.04 0.21 -0.00 0.00 0.00 174.94 174.95 1toz s ASN 431 N -3.61 4.85 0.26 4.36 2.47 -1.26 -1.14 114.94 120.88 1toz s ASN 431 Ca 0.35 -0.04 0.07 0.00 0.42 0.00 0.00 52.86 53.66 1toz s ASN 431 Cb 0.08 -1.55 -0.06 0.00 -1.45 0.00 0.00 41.25 38.28 1toz s ASN 431 CO 0.17 0.27 -0.07 0.42 -3.72 0.00 0.00 177.10 174.16 1toz s THR 432 N -0.23 1.65 -0.05 -5.21 -4.23 -0.38 -4.72 115.64 102.47 1toz s THR 432 Ca 0.04 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 1toz s THR 432 Cb -0.13 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1toz s THR 432 CO 0.02 -0.36 1.36 -0.76 -0.54 0.00 0.00 174.62 174.35 1toz s LEU 433 N -3.41 4.28 0.00 4.79 1.43 -1.26 -3.29 118.68 121.21 1toz s LEU 433 Ca 0.28 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1toz s LEU 433 Cb 0.03 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1toz s LEU 433 CO 0.11 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1toz n GLY 434 N 3.64 1.49 3.35 -3.19 0.00 -1.26 -4.86 105.19 104.35 1toz n GLY 434 Ca 0.13 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1toz n GLY 434 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1toz s SER 435 N 0.00 1.53 0.16 1.61 0.15 -1.21 -5.02 113.70 110.93 1toz s SER 435 Ca 0.00 -1.42 0.05 0.00 0.70 0.00 0.00 55.95 55.28 1toz s SER 435 Cb 0.00 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1toz s SER 435 CO 0.00 -0.74 0.17 0.72 1.20 0.00 0.00 173.24 174.59 1toz s PHE 436 N -3.63 3.21 0.03 3.44 -0.12 -1.26 -1.25 117.98 118.41 1toz s PHE 436 Ca 0.37 0.01 0.09 0.00 -0.05 0.00 0.00 56.93 57.34 1toz s PHE 436 Cb 0.07 -1.54 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 1toz s PHE 436 CO 0.15 0.52 -0.26 -2.00 -0.05 0.00 0.00 175.22 173.57 1toz s GLU 437 N -3.14 1.85 -0.07 1.99 2.12 -0.29 -4.77 118.70 116.39 1toz s GLU 437 Ca 0.32 -1.05 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 1toz s GLU 437 Cb -0.10 -1.96 0.04 0.00 0.26 0.00 0.00 34.13 32.37 1toz s GLU 437 CO 0.24 0.52 0.15 0.00 -0.54 0.00 0.00 175.26 175.63 1toz s GLN 439 N 1.58 3.49 0.07 0.00 -0.21 0.60 -4.09 119.66 121.10 1toz s GLN 439 Ca -0.05 0.75 -0.08 0.00 0.02 0.00 0.00 55.36 56.00 1toz s GLN 439 Cb -0.12 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1toz s GLN 439 CO -0.06 -0.65 0.36 0.00 -2.12 0.00 0.00 175.29 172.82 1toz s LEU 441 N -2.03 4.11 0.00 0.00 1.98 -1.25 -4.76 118.68 116.73 1toz s LEU 441 Ca 0.33 -0.65 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 1toz s LEU 441 Cb -0.13 -1.97 0.00 0.00 0.66 0.00 0.00 46.19 44.75 1toz s LEU 441 CO 0.19 -0.22 0.00 0.00 -1.89 0.00 0.00 176.35 174.43 1toz n GLN 442 N 4.95 0.00 -3.43 1.98 6.02 -1.26 -3.61 117.38 122.02 1toz n GLN 442 Ca -0.14 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.59 1toz n GLN 442 Cb 0.48 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.65 1toz n GLN 442 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1toz n GLY 443 N 0.00 2.75 3.91 1.08 0.00 -1.09 -5.06 105.19 106.79 1toz n GLY 443 Ca 0.00 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 1toz n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toz s TYR 444 N -0.61 3.15 0.00 1.61 1.51 -1.24 -4.28 117.35 117.49 1toz s TYR 444 Ca 0.33 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1toz s TYR 444 Cb 0.06 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1toz s TYR 444 CO -0.16 0.28 0.00 -2.37 -1.11 0.00 0.00 175.55 172.18 1toz n THR 445 N -1.41 0.00 0.00 -0.71 5.66 3.87 -4.85 114.28 116.83 1toz n THR 445 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1toz n THR 445 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1toz n THR 445 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1toz n GLY 446 N 5.00 -1.35 0.17 1.09 0.00 -1.18 -2.03 105.19 106.88 1toz n GLY 446 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1toz n GLY 446 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1toz h PRO 447 N 0.00 0.47 -0.03 1.61 0.13 -1.95 -3.29 132.00 128.95 1toz h PRO 447 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1toz h PRO 447 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1toz h PRO 447 CO 0.00 1.11 0.00 0.54 -0.23 0.00 0.00 178.00 179.42 1toz n ARG 448 N -3.80 0.29 -0.54 0.86 5.12 -1.26 -5.00 116.66 112.33 1toz n ARG 448 Ca -0.07 -1.03 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 1toz n ARG 448 Cb 0.80 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1toz n ARG 448 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1toz n GLU 450 N -0.38 0.00 -4.56 0.00 0.00 -0.86 -2.80 120.64 112.04 1toz n GLU 450 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 57.16 56.81 1toz n GLU 450 Cb 0.18 -0.07 -0.14 0.00 0.00 0.00 0.00 31.44 31.41 1toz n GLU 450 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1toz s ILE 451 N 0.00 1.38 -0.11 3.84 1.09 -1.15 -1.48 121.20 124.77 1toz s ILE 451 Ca 0.00 -1.01 -0.17 0.00 -1.10 0.00 0.00 60.65 58.37 1toz s ILE 451 Cb 0.00 -1.20 -0.05 0.00 -1.06 0.00 0.00 42.46 40.15 1toz s ILE 451 CO 0.00 0.17 0.42 -0.62 -0.10 0.00 0.00 174.94 174.81 1toz s ASP 452 N -0.99 6.65 0.22 3.58 3.68 -1.26 0.76 116.67 129.31 1toz s ASP 452 Ca 0.05 0.77 0.02 0.00 2.13 0.00 0.00 52.55 55.52 1toz s ASP 452 Cb -0.08 -2.26 -0.04 0.00 -1.45 0.00 0.00 42.92 39.10 1toz s ASP 452 CO 0.01 0.08 0.38 0.54 0.13 0.00 0.00 175.17 176.31 1toz s VAL 453 N 0.29 5.24 -0.83 1.11 0.11 -1.26 -4.71 120.40 120.34 1toz s VAL 453 Ca 0.23 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.51 1toz s VAL 453 Cb -0.15 -3.80 0.22 0.00 -1.53 0.00 0.00 36.38 31.12 1toz s VAL 453 CO 0.09 -0.27 0.76 0.21 -3.33 0.00 0.00 175.10 172.56 1toz s ASN 454 N -3.59 6.55 0.50 3.54 2.47 -1.26 -4.76 114.94 118.39 1toz s ASN 454 Ca 0.36 -2.87 0.26 0.00 0.42 0.00 0.00 52.86 51.04 1toz s ASN 454 Cb -0.10 -2.14 1.43 0.00 -1.45 0.00 0.00 41.25 38.98 1toz s ASN 454 CO 0.30 -0.49 1.78 -0.33 -3.72 0.00 0.00 177.10 174.64 1toz h GLU 455 N 7.45 0.00 0.00 0.43 3.07 -1.93 0.82 114.58 124.42 1toz h GLU 455 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1toz h GLU 455 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1toz h GLU 455 CO 0.78 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.39 1toz h VAL 457 N 0.00 0.35 -0.00 0.00 -1.51 0.26 -2.85 116.25 112.49 1toz h VAL 457 Ca 0.00 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1toz h VAL 457 Cb 0.17 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1toz h VAL 457 CO 0.00 0.20 -0.02 -1.20 -1.23 0.00 0.00 177.57 175.32 1toz n SER 458 N -2.85 0.83 -2.85 4.19 7.64 -0.36 -4.76 113.62 115.47 1toz n SER 458 Ca -0.05 -0.91 -0.11 0.00 1.01 0.00 0.00 58.87 58.80 1toz n SER 458 Cb 0.73 0.28 0.06 0.00 -1.01 0.00 0.00 64.21 64.27 1toz n SER 458 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1toz n ASN 459 N -0.23 -1.60 0.00 6.43 3.02 0.46 -4.94 115.26 118.40 1toz n ASN 459 Ca 0.01 -3.51 0.11 0.00 -0.03 0.00 0.00 54.58 51.16 1toz n ASN 459 Cb 0.03 1.29 0.54 0.00 -0.61 0.00 0.00 39.78 41.03 1toz n ASN 459 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1toz n PRO 460 N 0.44 0.22 -1.46 3.52 -0.04 -1.07 -4.33 135.00 132.27 1toz n PRO 460 Ca 0.11 0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1toz n PRO 460 Cb 0.68 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 1toz n PRO 460 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1toz n GLN 462 N -2.47 0.00 -1.56 0.00 10.64 -1.26 -2.19 117.38 120.53 1toz n GLN 462 Ca -0.07 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.75 1toz n GLN 462 Cb 0.32 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.76 1toz n GLN 462 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1toz n ASN 463 N -2.99 7.35 -2.77 2.61 3.02 -1.26 -4.32 115.26 116.90 1toz n ASN 463 Ca 0.00 -3.80 -0.02 0.00 -0.03 0.00 0.00 54.58 50.73 1toz n ASN 463 Cb 0.00 -0.93 0.07 0.00 -0.61 0.00 0.00 39.78 38.31 1toz n ASN 463 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1toz n ASP 464 N -0.80 0.69 0.00 6.41 9.92 -0.93 -5.07 116.55 126.77 1toz n ASP 464 Ca 0.59 -2.20 0.00 0.00 -0.53 0.00 0.00 54.79 52.65 1toz n ASP 464 Cb 0.59 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1toz n ASP 464 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1toz n ALA 465 N -0.72 0.00 -2.07 2.24 0.00 -1.22 -4.69 120.51 114.06 1toz n ALA 465 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1toz n ALA 465 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 1toz n ALA 465 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1toz s THR 466 N 0.00 3.54 0.55 0.00 2.01 -0.67 -4.72 115.64 116.34 1toz s THR 466 Ca 0.00 0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1toz s THR 466 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1toz s THR 466 CO 0.00 -0.54 1.36 0.00 -0.69 0.00 0.00 174.62 174.75 1toz s LEU 468 N -3.52 -1.46 0.48 0.00 1.43 0.20 -4.92 118.68 110.88 1toz s LEU 468 Ca 0.72 -1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 1toz s LEU 468 Cb -0.41 1.90 -0.07 0.00 0.03 0.00 0.00 46.19 47.65 1toz s LEU 468 CO 0.48 -0.14 1.29 -0.62 0.23 0.00 0.00 176.35 177.60 1toz s ASP 469 N 1.56 5.85 0.10 2.29 3.68 -1.26 0.30 116.67 129.20 1toz s ASP 469 Ca 0.20 2.61 0.02 0.00 2.13 0.00 0.00 52.55 57.51 1toz s ASP 469 Cb -0.03 -2.63 -0.01 0.00 -1.45 0.00 0.00 42.92 38.81 1toz s ASP 469 CO -0.06 -1.16 0.06 0.00 0.13 0.00 0.00 175.17 174.14 1toz n GLN 470 N -0.50 0.50 -2.10 4.34 6.02 0.70 -4.82 117.38 121.51 1toz n GLN 470 Ca 0.07 -0.95 -0.42 0.00 -0.01 0.00 0.00 57.00 55.69 1toz n GLN 470 Cb 0.45 0.63 -0.03 0.00 1.02 0.00 0.00 30.24 32.32 1toz n GLN 470 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1toz s ILE 471 N -2.16 3.69 -0.17 5.09 -5.25 -1.26 -2.84 121.20 118.30 1toz s ILE 471 Ca 0.08 0.88 0.00 0.00 -0.99 0.00 0.00 60.65 60.63 1toz s ILE 471 Cb 0.00 -3.57 0.00 0.00 2.95 0.00 0.00 42.46 41.84 1toz s ILE 471 CO 0.06 -0.07 0.00 0.61 -1.79 0.00 0.00 174.94 173.75 1toz n GLY 472 N 3.98 -0.11 3.55 6.27 0.00 -1.26 -4.76 105.19 112.86 1toz n GLY 472 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1toz n GLY 472 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1toz s GLU 473 N -3.33 0.68 0.17 1.61 -1.05 -1.13 -2.66 118.70 112.99 1toz s GLU 473 Ca 0.00 -0.03 0.07 0.00 -0.15 0.00 0.00 54.97 54.85 1toz s GLU 473 Cb 0.00 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1toz s GLU 473 CO 0.00 -0.25 -0.14 -0.59 0.95 0.00 0.00 175.26 175.23 1toz s PHE 474 N -1.95 1.58 0.01 4.83 -0.71 -1.26 0.25 117.98 120.73 1toz s PHE 474 Ca 0.01 -0.59 -0.01 0.00 -1.04 0.00 0.00 56.93 55.30 1toz s PHE 474 Cb -0.01 -0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 41.02 1toz s PHE 474 CO -0.02 0.26 -0.01 1.14 -1.34 0.00 0.00 175.22 175.25 1toz s GLN 475 N -3.36 0.24 -0.03 1.99 1.03 0.15 -4.85 119.66 114.82 1toz s GLN 475 Ca 0.18 -0.43 -0.00 0.00 0.04 0.00 0.00 55.36 55.14 1toz s GLN 475 Cb -0.02 0.09 0.03 0.00 0.03 0.00 0.00 33.01 33.14 1toz s GLN 475 CO 0.05 -0.04 0.03 0.00 -2.54 0.00 0.00 175.29 172.78 1toz s ILE 477 N 1.39 4.70 0.31 0.00 -1.09 -0.94 -4.80 121.20 120.78 1toz s ILE 477 Ca -0.05 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 1toz s ILE 477 Cb -0.13 -4.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1toz s ILE 477 CO -0.03 -0.39 0.00 0.00 -1.23 0.00 0.00 174.94 173.29 1toz s MET 479 N -3.13 3.98 -0.57 0.00 -1.94 -1.26 -4.95 119.30 111.44 1toz s MET 479 Ca 0.00 0.57 -0.06 0.00 -1.71 0.00 0.00 55.69 54.50 1toz s MET 479 Cb 0.00 -2.59 -0.14 0.00 2.01 0.00 0.00 34.83 34.11 1toz s MET 479 CO 0.00 0.26 2.68 -0.35 -0.01 0.00 0.00 175.02 177.60 1toz n PRO 480 N -0.06 2.09 0.00 2.03 -0.04 -1.26 -2.97 135.00 134.80 1toz n PRO 480 Ca 0.01 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1toz n PRO 480 Cb 0.53 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1toz n PRO 480 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1toz n GLY 481 N 3.11 0.03 3.93 0.55 0.00 -1.26 -5.13 105.19 106.42 1toz n GLY 481 Ca 0.45 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 1toz n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toz s TYR 482 N -1.21 2.57 0.21 1.61 2.02 -1.16 -3.43 117.35 117.97 1toz s TYR 482 Ca 0.00 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 1toz s TYR 482 Cb 0.00 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1toz s TYR 482 CO 0.00 -0.31 0.37 -1.91 -1.57 0.00 0.00 175.55 172.13 1toz n GLU 483 N -1.70 0.54 0.00 -0.62 2.13 0.49 -4.80 120.64 116.68 1toz n GLU 483 Ca 0.05 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.48 1toz n GLU 483 Cb 0.61 1.54 0.00 0.00 0.27 0.00 0.00 31.44 33.87 1toz n GLU 483 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1toz n GLY 484 N -0.31 -1.97 0.21 8.31 0.00 -1.26 0.16 105.19 110.33 1toz n GLY 484 Ca -0.03 -2.20 0.09 0.00 0.00 0.00 0.00 46.02 43.89 1toz n GLY 484 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1toz h VAL 485 N 0.00 0.57 -0.23 1.61 3.04 -2.00 -2.44 116.25 116.79 1toz h VAL 485 Ca 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1toz h VAL 485 Cb 0.00 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1toz h VAL 485 CO 0.00 0.24 0.00 1.41 -1.01 0.00 0.00 177.57 178.21 1toz n HIS 486 N -3.37 0.29 -1.72 3.17 8.25 -1.26 -3.97 115.22 116.62 1toz n HIS 486 Ca 0.00 -0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.17 1toz n HIS 486 Cb 0.46 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1toz n HIS 486 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1toz n GLU 488 N -2.06 2.14 -3.02 0.00 -0.00 -1.07 -4.17 120.64 112.46 1toz n GLU 488 Ca -0.11 -1.56 -0.42 0.00 -0.00 0.00 0.00 57.16 55.08 1toz n GLU 488 Cb 0.42 -1.14 -0.06 0.00 -0.00 0.00 0.00 31.44 30.67 1toz n GLU 488 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1toz s VAL 489 N -0.87 4.83 0.42 3.84 1.01 0.41 -4.83 120.40 125.21 1toz s VAL 489 Ca 0.11 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1toz s VAL 489 Cb 0.06 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1toz s VAL 489 CO 0.08 -0.28 1.25 0.21 0.00 0.00 0.00 175.10 176.37 1toz s ASN 490 N 1.71 6.28 0.78 3.32 3.84 -1.26 0.19 114.94 129.79 1toz s ASN 490 Ca 0.29 2.54 -0.15 0.00 0.21 0.00 0.00 52.86 55.75 1toz s ASN 490 Cb -0.14 -2.63 -0.13 0.00 -0.55 0.00 0.00 41.25 37.80 1toz s ASN 490 CO 0.14 -0.86 -0.58 0.41 -2.79 0.00 0.00 177.10 173.42 1toz n THR 491 N -0.04 0.00 -0.79 -5.21 -1.04 -1.22 -4.79 114.28 101.20 1toz n THR 491 Ca 0.05 -0.44 -0.28 0.00 -2.04 0.00 0.00 64.05 61.33 1toz n THR 491 Cb 0.45 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.19 1toz n THR 491 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1toz s ASP 492 N -0.88 1.34 0.00 8.00 2.15 -1.26 -4.84 116.67 121.18 1toz s ASP 492 Ca 0.38 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1toz s ASP 492 Cb -0.22 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1toz s ASP 492 CO 0.69 -3.94 0.77 -0.62 -0.17 0.00 0.00 175.17 171.90 1toz n GLU 493 N -4.72 0.00 -1.35 4.34 4.71 -1.26 -4.87 120.64 117.48 1toz n GLU 493 Ca 0.04 -0.54 -0.23 0.00 -0.01 0.00 0.00 57.16 56.42 1toz n GLU 493 Cb 0.56 -0.26 0.11 0.00 -1.01 0.00 0.00 31.44 30.84 1toz n GLU 493 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1toz h ALA 495 N 1.64 1.00 0.00 0.00 0.00 -2.00 -3.14 119.26 116.75 1toz h ALA 495 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1toz h ALA 495 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1toz h ALA 495 CO 1.03 0.00 -0.00 1.03 0.00 0.00 0.00 179.25 181.31 1toz h SER 496 N 0.00 0.00 -3.61 0.00 0.87 -2.02 -3.45 113.55 105.34 1toz h SER 496 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 1toz h SER 496 Cb 0.62 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.18 1toz h SER 496 CO 0.00 0.00 -0.72 -0.44 -0.53 0.00 0.00 176.83 175.15 1toz s SER 497 N -3.30 4.25 0.32 6.23 0.01 -1.25 -4.94 113.70 115.01 1toz s SER 497 Ca -0.00 -2.25 0.16 0.00 1.31 0.00 0.00 55.95 55.18 1toz s SER 497 Cb 0.00 -1.29 0.42 0.00 0.21 0.00 0.00 66.02 65.36 1toz s SER 497 CO 0.00 -0.34 1.61 1.55 0.41 0.00 0.00 173.24 176.47 1toz h PRO 498 N 7.38 0.00 -6.57 12.44 0.13 -1.87 -3.47 132.00 140.05 1toz h PRO 498 Ca -0.07 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.65 1toz h PRO 498 Cb 0.98 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.12 1toz h PRO 498 CO 0.53 0.48 -1.09 0.00 -0.23 0.00 0.00 178.00 177.68 1toz s LEU 500 N -3.79 3.86 0.00 0.00 1.43 -1.23 -2.45 118.68 116.50 1toz s LEU 500 Ca 0.17 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1toz s LEU 500 Cb -0.02 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1toz s LEU 500 CO 0.88 -0.49 0.00 1.41 0.23 0.00 0.00 176.35 178.38 1toz n HIS 501 N -1.87 0.00 1.55 0.29 8.25 -1.26 -3.67 115.22 118.51 1toz n HIS 501 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1toz n HIS 501 Cb 0.57 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.35 1toz n HIS 501 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1toz n ASN 502 N 1.81 0.57 -3.65 0.41 5.15 -1.26 -4.57 115.26 113.72 1toz n ASN 502 Ca 0.00 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 1toz n ASN 502 Cb 0.00 -0.04 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1toz n ASN 502 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1toz s GLY 503 N -2.28 -0.33 -0.18 8.20 0.00 -1.02 -4.51 107.32 107.21 1toz s GLY 503 Ca 0.35 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 1toz s GLY 503 CO 0.42 0.61 -0.04 -1.60 0.00 0.00 0.00 173.10 172.49 1toz s ARG 504 N -2.57 1.37 -0.12 2.90 3.52 -1.01 -3.48 118.95 119.57 1toz s ARG 504 Ca 0.15 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.90 1toz s ARG 504 Cb 0.03 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.32 1toz s ARG 504 CO -0.02 -0.47 1.31 0.00 -0.81 0.00 0.00 175.30 175.31 1toz s LEU 506 N 3.27 4.20 -0.86 0.00 2.96 0.26 -4.91 118.68 123.60 1toz s LEU 506 Ca 0.58 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.59 1toz s LEU 506 Cb -0.24 -2.07 0.18 0.00 0.50 0.00 0.00 46.19 44.56 1toz s LEU 506 CO 0.18 0.22 0.90 -0.62 -1.32 0.00 0.00 176.35 175.72 1toz s ASP 507 N 0.12 6.71 0.38 3.68 3.68 -1.26 -0.90 116.67 129.07 1toz s ASP 507 Ca 0.09 -2.43 -0.12 0.00 2.13 0.00 0.00 52.55 52.21 1toz s ASP 507 Cb -0.11 -2.28 -0.07 0.00 -1.45 0.00 0.00 42.92 39.00 1toz s ASP 507 CO -0.01 -0.77 0.77 -0.54 0.13 0.00 0.00 175.17 174.75 1toz s LYS 508 N 1.15 3.86 -0.78 4.34 -0.14 -0.39 -4.76 119.74 123.03 1toz s LYS 508 Ca 0.23 0.56 -0.10 0.00 -1.36 0.00 0.00 55.97 55.30 1toz s LYS 508 Cb -0.08 -2.40 -0.08 0.00 -1.68 0.00 0.00 37.83 33.59 1toz s LYS 508 CO -0.09 0.02 1.95 0.44 -0.76 0.00 0.00 175.35 176.91 1toz n ILE 509 N -0.97 2.00 0.00 2.17 -6.64 -1.26 -3.01 119.36 111.64 1toz n ILE 509 Ca 0.03 -1.32 0.00 0.00 -1.77 0.00 0.00 62.75 59.68 1toz n ILE 509 Cb 0.54 -2.12 0.00 0.00 -1.44 0.00 0.00 39.64 36.62 1toz n ILE 509 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1toz n ASN 510 N 5.22 0.00 -3.41 7.28 5.15 -1.26 -4.98 115.26 123.27 1toz n ASN 510 Ca 0.42 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.20 1toz n ASN 510 Cb 0.20 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.36 1toz n ASN 510 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1toz s GLU 511 N 0.00 1.76 -0.01 1.20 2.02 -1.17 -5.05 118.70 117.46 1toz s GLU 511 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1toz s GLU 511 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1toz s GLU 511 CO 0.00 -0.64 0.05 -0.59 0.02 0.00 0.00 175.26 174.11 1toz s PHE 512 N -3.44 3.22 -0.11 1.61 -0.12 -1.26 -1.26 117.98 116.62 1toz s PHE 512 Ca 0.40 0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 57.43 1toz s PHE 512 Cb 0.02 -1.72 0.04 0.00 -0.63 0.00 0.00 43.02 40.73 1toz s PHE 512 CO 0.27 0.52 -0.00 -1.14 -0.05 0.00 0.00 175.22 174.82 1toz s GLN 513 N -1.65 0.79 -0.59 1.99 0.74 -0.08 -4.91 119.66 115.95 1toz s GLN 513 Ca 0.21 -0.10 -0.25 0.00 0.05 0.00 0.00 55.36 55.28 1toz s GLN 513 Cb -0.12 -1.38 0.04 0.00 1.10 0.00 0.00 33.01 32.66 1toz s GLN 513 CO 0.12 -0.38 1.00 0.00 -0.55 0.00 0.00 175.29 175.48 1toz n GLU 515 N 7.76 3.47 -3.83 0.00 0.28 0.17 -4.77 120.64 123.72 1toz n GLU 515 Ca 0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.69 1toz n GLU 515 Cb 0.47 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.30 1toz n GLU 515 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1toz s PRO 517 N -2.33 3.89 -0.24 0.00 0.04 -1.26 -4.18 135.00 130.93 1toz s PRO 517 Ca 0.34 1.40 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1toz s PRO 517 Cb -0.13 -2.21 0.32 0.00 0.04 0.00 0.00 34.50 32.53 1toz s PRO 517 CO 0.24 -0.36 1.36 -2.37 0.04 0.00 0.00 177.00 175.90 1toz n THR 518 N -0.74 0.12 0.00 1.26 5.66 -1.26 -4.45 114.28 114.87 1toz n THR 518 Ca 0.08 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.14 1toz n THR 518 Cb 0.52 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.21 1toz n THR 518 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1toz n GLY 519 N -1.01 0.00 0.33 1.09 0.00 -1.26 -4.99 105.19 99.35 1toz n GLY 519 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1toz n GLY 519 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1toz n PHE 520 N 0.00 0.00 -3.55 1.61 3.72 -1.26 -5.04 117.46 112.94 1toz n PHE 520 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1toz n PHE 520 Cb 0.00 0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 1toz n PHE 520 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1toz s THR 521 N 0.00 0.01 0.16 4.37 -1.32 -1.26 -4.86 115.64 112.73 1toz s THR 521 Ca 0.00 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.87 1toz s THR 521 Cb 0.00 -1.24 -0.06 0.00 -1.51 0.00 0.00 72.50 69.69 1toz s THR 521 CO 0.00 -0.05 1.55 1.23 -2.21 0.00 0.00 174.62 175.14 1toz h GLY 522 N 2.06 -0.81 -1.11 6.08 0.00 -1.99 -3.46 103.07 103.85 1toz h GLY 522 Ca -0.31 0.74 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1toz h GLY 522 CO 0.37 -0.04 0.37 1.42 0.00 0.00 0.00 176.54 178.66 1toz n HIS 523 N -5.32 -2.03 -0.74 5.60 8.25 -1.26 -5.10 115.22 114.62 1toz n HIS 523 Ca 0.01 -1.65 0.02 0.00 -0.26 0.00 0.00 57.72 55.84 1toz n HIS 523 Cb 0.30 0.82 -0.01 0.00 1.12 0.00 0.00 29.99 32.22 1toz n HIS 523 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1toz n LEU 524 N 0.00 -0.73 -0.07 2.41 4.32 -1.26 -4.60 117.00 117.07 1toz n LEU 524 Ca -0.07 1.32 -0.14 0.00 -0.02 0.00 0.00 56.01 57.11 1toz n LEU 524 Cb 0.58 -1.13 -0.10 0.00 -1.62 0.00 0.00 43.42 41.16 1toz n LEU 524 CO 0.25 -0.57 0.50 0.00 -1.22 0.00 0.00 177.39 176.36