#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 0.92 0.30 1.08 2.15 -1.26 -4.95 116.67 114.91 1toz s ASP 412 Ca 0.00 -1.55 -0.23 0.00 0.43 0.00 0.00 52.55 51.20 1toz s ASP 412 Cb 0.00 0.50 -0.09 0.00 -0.30 0.00 0.00 42.92 43.02 1toz s ASP 412 CO 0.00 -1.00 0.86 0.54 -0.17 0.00 0.00 175.17 175.41 1toz s VAL 413 N -3.72 4.37 -1.18 1.11 0.11 -1.26 -4.94 120.40 114.89 1toz s VAL 413 Ca 0.38 1.57 -0.14 0.00 -2.93 0.00 0.00 61.98 60.86 1toz s VAL 413 Cb 0.04 -3.90 0.17 0.00 -1.53 0.00 0.00 36.38 31.17 1toz s VAL 413 CO 0.20 0.10 1.39 -0.62 -3.33 0.00 0.00 175.10 172.83 1toz s ASP 414 N -1.72 7.05 0.37 3.54 3.68 -1.26 -4.60 116.67 123.72 1toz s ASP 414 Ca 0.49 -2.95 0.18 0.00 2.13 0.00 0.00 52.55 52.41 1toz s ASP 414 Cb -0.16 -2.39 1.00 0.00 -1.45 0.00 0.00 42.92 39.91 1toz s ASP 414 CO 0.21 -0.75 1.50 -0.33 0.13 0.00 0.00 175.17 175.94 1toz h GLU 415 N 7.27 0.00 0.00 4.34 3.07 -1.90 1.93 114.58 129.28 1toz h GLU 415 Ca 0.29 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1toz h GLU 415 Cb 0.89 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1toz h GLU 415 CO 1.22 0.00 -0.70 0.00 -1.40 0.00 0.00 179.01 178.13 1toz n SER 417 N -2.88 0.54 0.00 0.00 2.88 0.63 -4.49 113.62 110.30 1toz n SER 417 Ca 0.00 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1toz n SER 417 Cb 0.60 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 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 -2.00 0.00 -0.67 2.46 4.77 0.20 -4.92 117.00 116.84 1toz n LEU 418 Ca 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1toz n LEU 418 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1toz n LEU 418 CO 0.42 0.00 0.25 0.61 -1.33 0.00 0.00 177.39 177.34 1toz n GLY 419 N 1.96 0.80 2.81 -0.72 0.00 -1.24 -5.02 105.19 103.77 1toz n GLY 419 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 2.96 -0.34 4.61 0.00 -0.87 -5.05 121.76 123.07 1toz s ALA 420 Ca 0.03 -3.20 -0.02 0.00 0.00 0.00 0.00 51.96 48.78 1toz s ALA 420 Cb 0.03 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.20 1toz s ALA 420 CO -0.01 -2.05 0.07 1.21 0.00 0.00 0.00 175.76 174.98 1toz s ASN 421 N -0.48 5.00 0.14 0.00 2.47 -1.26 -3.79 114.94 117.02 1toz s ASN 421 Ca 0.22 -1.63 -0.05 0.00 0.42 0.00 0.00 52.86 51.82 1toz s ASN 421 Cb -0.15 -1.74 -0.06 0.00 -1.45 0.00 0.00 41.25 37.85 1toz s ASN 421 CO -0.08 -0.37 1.34 1.55 -3.72 0.00 0.00 177.10 175.82 1toz h PRO 422 N 7.97 0.45 -0.58 0.43 0.13 -1.94 -3.05 132.00 135.41 1toz h PRO 422 Ca -0.16 -0.44 0.17 0.00 -0.87 0.00 0.00 66.00 64.70 1toz h PRO 422 Cb 1.05 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1toz h PRO 422 CO 0.59 1.09 0.94 0.00 -0.23 0.00 0.00 178.00 180.38 1toz n GLU 424 N -3.12 0.00 -2.66 0.00 -0.58 -1.16 -2.25 120.64 110.87 1toz n GLU 424 Ca 0.12 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 1toz n GLU 424 Cb 1.13 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 32.03 1toz n GLU 424 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1toz n HIS 425 N 0.00 1.56 0.00 -0.32 8.25 -1.26 -4.97 115.22 118.48 1toz n HIS 425 Ca 0.00 -2.45 0.00 0.00 -0.26 0.00 0.00 57.72 55.01 1toz n HIS 425 Cb 0.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1toz n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1toz n ALA 426 N -0.42 0.00 0.00 -1.41 0.00 -0.95 -5.04 120.51 112.69 1toz n ALA 426 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1toz n ALA 426 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1toz n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1toz n GLY 427 N 0.00 0.92 3.72 0.00 0.00 -1.26 -4.31 105.19 104.26 1toz n GLY 427 Ca 0.00 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.95 3.21 -0.17 1.61 2.36 -1.02 -4.92 119.74 118.87 1toz s LYS 428 Ca 0.00 -0.33 0.01 0.00 -2.55 0.00 0.00 55.97 53.10 1toz s LYS 428 Cb 0.00 -2.94 0.02 0.00 -1.05 0.00 0.00 37.83 33.86 1toz s LYS 428 CO 0.00 0.67 -0.17 0.00 1.55 0.00 0.00 175.35 177.40 1toz s ILE 430 N 1.37 1.81 -0.12 0.00 -0.00 1.05 -4.96 121.20 120.35 1toz s ILE 430 Ca 0.05 -2.01 -0.03 0.00 -0.00 0.00 0.00 60.65 58.66 1toz s ILE 430 Cb -0.13 -2.93 -0.03 0.00 -0.00 0.00 0.00 42.46 39.37 1toz s ILE 430 CO -0.12 -0.01 -0.02 0.21 -0.00 0.00 0.00 174.94 174.99 1toz s ASN 431 N -3.65 4.99 0.27 4.36 2.47 -1.26 -0.93 114.94 121.19 1toz s ASN 431 Ca 0.35 -0.00 0.06 0.00 0.42 0.00 0.00 52.86 53.69 1toz s ASN 431 Cb 0.09 -1.58 -0.06 0.00 -1.45 0.00 0.00 41.25 38.25 1toz s ASN 431 CO 0.17 0.27 -0.04 0.42 -3.72 0.00 0.00 177.10 174.21 1toz s THR 432 N -0.27 1.45 -0.04 -5.21 -4.23 -0.32 -4.73 115.64 102.29 1toz s THR 432 Ca 0.05 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1toz s THR 432 Cb -0.12 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1toz s THR 432 CO 0.02 -0.30 1.38 -0.76 -0.54 0.00 0.00 174.62 174.42 1toz s LEU 433 N -3.40 4.29 0.00 4.79 1.43 -1.26 -3.31 118.68 121.22 1toz s LEU 433 Ca 0.29 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1toz s LEU 433 Cb 0.04 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1toz s LEU 433 CO 0.11 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1toz n GLY 434 N 3.66 1.53 3.39 -3.19 0.00 -1.26 -4.86 105.19 104.46 1toz n GLY 434 Ca 0.13 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1toz n GLY 434 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1toz s SER 435 N 0.00 1.85 0.29 1.61 0.01 -1.21 -5.00 113.70 111.25 1toz s SER 435 Ca 0.00 -1.51 0.07 0.00 1.31 0.00 0.00 55.95 55.82 1toz s SER 435 Cb 0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 1toz s SER 435 CO 0.00 -0.81 0.28 0.72 0.41 0.00 0.00 173.24 173.83 1toz s PHE 436 N -3.51 3.09 0.05 2.43 -0.12 -1.26 -1.17 117.98 117.48 1toz s PHE 436 Ca 0.34 -0.17 0.07 0.00 -0.05 0.00 0.00 56.93 57.12 1toz s PHE 436 Cb 0.06 -1.61 -0.03 0.00 -0.63 0.00 0.00 43.02 40.81 1toz s PHE 436 CO 0.16 0.35 -0.20 -2.00 -0.05 0.00 0.00 175.22 173.47 1toz s GLU 437 N -3.94 1.34 -0.05 1.99 2.12 -0.10 -4.75 118.70 115.31 1toz s GLU 437 Ca 0.37 -0.94 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 1toz s GLU 437 Cb -0.07 -1.46 0.04 0.00 0.26 0.00 0.00 34.13 32.89 1toz s GLU 437 CO 0.27 0.37 0.11 0.00 -0.54 0.00 0.00 175.26 175.46 1toz s GLN 439 N 1.13 3.98 0.46 0.00 -0.21 0.51 -4.31 119.66 121.21 1toz s GLN 439 Ca -0.09 0.83 -0.12 0.00 0.02 0.00 0.00 55.36 56.00 1toz s GLN 439 Cb -0.12 -2.25 -0.07 0.00 1.00 0.00 0.00 33.01 31.58 1toz s GLN 439 CO -0.05 -0.10 0.86 0.00 -2.12 0.00 0.00 175.29 173.88 1toz s LEU 441 N -4.04 5.43 0.00 0.00 1.98 -1.26 -4.72 118.68 116.06 1toz s LEU 441 Ca 0.54 -2.08 0.00 0.00 -2.89 0.00 0.00 54.13 49.70 1toz s LEU 441 Cb -0.10 -1.90 0.00 0.00 0.66 0.00 0.00 46.19 44.85 1toz s LEU 441 CO 0.33 -0.58 0.00 0.00 -1.89 0.00 0.00 176.35 174.21 1toz n GLN 442 N 4.58 0.00 -3.25 1.98 1.13 -1.26 -3.40 117.38 117.17 1toz n GLN 442 Ca -0.03 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.71 1toz n GLN 442 Cb 0.41 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.71 1toz n GLN 442 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1toz n GLY 443 N 0.00 5.00 3.92 1.08 0.00 -1.23 -5.03 105.19 108.93 1toz n GLY 443 Ca 0.00 -2.74 -0.22 0.00 0.00 0.00 0.00 46.02 43.06 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 -2.67 3.34 0.00 1.61 1.51 -1.22 -4.35 117.35 115.58 1toz s TYR 444 Ca 0.37 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1toz s TYR 444 Cb 0.12 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1toz s TYR 444 CO 0.02 0.47 0.00 -2.37 -1.11 0.00 0.00 175.55 172.56 1toz n THR 445 N -1.25 0.00 0.00 -0.71 5.66 2.87 -4.84 114.28 116.01 1toz n THR 445 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1toz n THR 445 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.77 0.12 1.09 0.00 -1.23 -2.09 105.19 107.31 1toz n GLY 446 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 0.05 -0.00 1.61 0.13 -1.96 -3.27 132.00 128.55 1toz h PRO 447 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1toz h PRO 447 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1toz h PRO 447 CO 0.00 0.78 -0.06 0.54 -0.23 0.00 0.00 178.00 179.03 1toz n ARG 448 N -3.67 1.87 -0.22 0.86 1.74 -1.26 -5.01 116.66 110.97 1toz n ARG 448 Ca -0.01 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1toz n ARG 448 Cb 0.73 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 1toz n ARG 448 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1toz n GLU 450 N -0.16 0.00 -4.27 0.00 0.00 -0.89 -3.16 120.64 112.16 1toz n GLU 450 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 57.16 56.63 1toz n GLU 450 Cb 0.07 0.17 -0.12 0.00 0.00 0.00 0.00 31.44 31.56 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 1.37 -0.26 3.84 -1.09 -1.12 -1.72 121.20 122.23 1toz s ILE 451 Ca 0.00 -1.34 -0.10 0.00 -2.23 0.00 0.00 60.65 56.97 1toz s ILE 451 Cb 0.00 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 1toz s ILE 451 CO 0.00 -0.10 0.16 -0.62 -1.23 0.00 0.00 174.94 173.15 1toz s ASP 452 N -1.68 6.00 0.43 3.58 3.68 -1.26 0.64 116.67 128.06 1toz s ASP 452 Ca 0.02 0.04 0.08 0.00 2.13 0.00 0.00 52.55 54.82 1toz s ASP 452 Cb -0.10 -2.10 0.01 0.00 -1.45 0.00 0.00 42.92 39.29 1toz s ASP 452 CO 0.03 0.01 0.58 0.54 0.13 0.00 0.00 175.17 176.47 1toz s VAL 453 N 1.37 2.97 -0.46 1.11 0.11 -1.26 -4.76 120.40 119.48 1toz s VAL 453 Ca 0.07 -0.98 -0.14 0.00 -2.93 0.00 0.00 61.98 58.00 1toz s VAL 453 Cb -0.15 -2.99 0.08 0.00 -1.53 0.00 0.00 36.38 31.79 1toz s VAL 453 CO 0.07 0.00 0.36 0.21 -3.33 0.00 0.00 175.10 172.42 1toz s ASN 454 N -4.36 6.02 0.09 3.54 3.84 -1.26 -4.84 114.94 117.97 1toz s ASN 454 Ca 0.55 -1.39 0.26 0.00 0.21 0.00 0.00 52.86 52.49 1toz s ASN 454 Cb -0.10 -2.13 0.78 0.00 -0.55 0.00 0.00 41.25 39.24 1toz s ASN 454 CO 0.33 -0.63 1.66 -1.84 -2.79 0.00 0.00 177.10 173.83 1toz n GLU 455 N 5.13 0.15 -0.03 0.43 0.00 -1.26 -2.85 120.64 122.21 1toz n GLU 455 Ca -0.12 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.26 1toz n GLU 455 Cb 0.43 -1.64 0.45 0.00 0.00 0.00 0.00 31.44 30.69 1toz n GLU 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1toz h VAL 457 N 2.55 0.00 -0.17 0.00 2.07 -1.94 -1.58 116.25 117.18 1toz h VAL 457 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1toz h VAL 457 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1toz h VAL 457 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 1toz n SER 458 N -5.00 2.20 -2.74 0.57 2.88 -1.26 -4.10 113.62 106.17 1toz n SER 458 Ca -0.06 -1.77 -0.10 0.00 -1.33 0.00 0.00 58.87 55.61 1toz n SER 458 Cb 0.19 -0.10 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 1toz n SER 458 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1toz n ASN 459 N 0.68 1.17 0.00 -3.46 3.02 -1.13 -4.88 115.26 110.66 1toz n ASN 459 Ca 0.17 -2.75 0.11 0.00 -0.03 0.00 0.00 54.58 52.08 1toz n ASN 459 Cb 0.43 -0.45 0.64 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.03 0.75 -1.20 3.52 -0.04 -0.60 -4.39 135.00 133.01 1toz n PRO 460 Ca 0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1toz n PRO 460 Cb 0.80 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 -2.67 0.00 -0.06 0.00 7.27 -1.26 -4.27 117.38 116.38 1toz n GLN 462 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 56.98 1toz n GLN 462 Cb 0.24 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.73 1toz n GLN 462 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1toz n ASN 463 N 0.68 0.02 -2.25 1.69 0.23 -1.26 -4.41 115.26 109.96 1toz n ASN 463 Ca 0.00 0.01 -0.19 0.00 -0.53 0.00 0.00 54.58 53.87 1toz n ASN 463 Cb 0.00 1.36 -0.12 0.00 -2.08 0.00 0.00 39.78 38.95 1toz n ASN 463 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1toz n ASP 464 N -2.57 5.85 -3.45 0.53 8.00 -1.26 -4.67 116.55 118.98 1toz n ASP 464 Ca -0.22 -2.80 0.03 0.00 0.71 0.00 0.00 54.79 52.52 1toz n ASP 464 Cb 0.93 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 1toz n ASP 464 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1toz s ALA 465 N -0.15 -2.97 -0.53 2.24 0.00 -1.26 -4.45 121.76 114.65 1toz s ALA 465 Ca 0.64 1.88 -0.29 0.00 0.00 0.00 0.00 51.96 54.19 1toz s ALA 465 Cb 0.34 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1toz s ALA 465 CO -0.10 -0.58 1.21 0.99 0.00 0.00 0.00 175.76 177.28 1toz s THR 466 N 1.42 4.05 0.26 0.00 2.01 0.05 -4.73 115.64 118.72 1toz s THR 466 Ca -0.04 1.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 1toz s THR 466 Cb -0.01 -4.61 -0.12 0.00 0.01 0.00 0.00 72.50 67.77 1toz s THR 466 CO -0.12 -1.15 1.65 0.00 -0.69 0.00 0.00 174.62 174.31 1toz n LEU 468 N 2.84 2.21 -4.66 0.00 4.77 0.31 -4.89 117.00 117.59 1toz n LEU 468 Ca 0.11 -5.10 -0.42 0.00 -0.03 0.00 0.00 56.01 50.57 1toz n LEU 468 Cb 0.36 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1toz n LEU 468 CO 0.64 2.03 1.47 -0.62 -1.33 0.00 0.00 177.39 179.57 1toz s ASP 469 N -1.80 6.57 0.28 -1.43 3.68 -1.26 -0.98 116.67 121.74 1toz s ASP 469 Ca 0.37 2.43 0.03 0.00 2.13 0.00 0.00 52.55 57.51 1toz s ASP 469 Cb 0.13 -2.53 -0.01 0.00 -1.45 0.00 0.00 42.92 39.06 1toz s ASP 469 CO -0.07 -0.98 0.12 0.00 0.13 0.00 0.00 175.17 174.37 1toz n GLN 470 N 7.28 0.63 -1.67 4.34 3.00 0.70 -4.96 117.38 126.70 1toz n GLN 470 Ca 0.18 -2.45 -0.49 0.00 -0.01 0.00 0.00 57.00 54.23 1toz n GLN 470 Cb 0.42 1.42 -0.05 0.00 0.00 0.00 0.00 30.24 32.03 1toz n GLN 470 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1toz n ILE 471 N -0.63 0.53 -3.37 5.09 -6.64 -1.26 -1.71 119.36 111.37 1toz n ILE 471 Ca -0.03 -0.13 -0.26 0.00 -1.77 0.00 0.00 62.75 60.57 1toz n ILE 471 Cb 0.44 -1.83 -0.05 0.00 -1.44 0.00 0.00 39.64 36.75 1toz n ILE 471 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1toz n GLY 472 N 4.60 -0.28 3.53 3.28 0.00 -1.25 -4.79 105.19 110.28 1toz n GLY 472 Ca 0.25 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.04 0.82 0.07 1.61 4.04 -0.70 -3.49 118.70 116.01 1toz s GLU 473 Ca 0.50 -0.05 -0.04 0.00 0.04 0.00 0.00 54.97 55.42 1toz s GLU 473 Cb -0.29 0.38 -0.02 0.00 0.02 0.00 0.00 34.13 34.22 1toz s GLU 473 CO 0.61 -0.31 0.06 -0.59 -1.84 0.00 0.00 175.26 173.20 1toz s PHE 474 N -2.08 0.39 0.21 4.83 -0.12 -1.26 0.25 117.98 120.20 1toz s PHE 474 Ca -0.01 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.00 1toz s PHE 474 Cb -0.01 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.08 1toz s PHE 474 CO -0.02 -0.45 0.05 -0.65 -0.05 0.00 0.00 175.22 174.10 1toz s GLN 475 N -3.90 1.24 -0.42 1.99 -1.52 -0.15 -4.89 119.66 112.01 1toz s GLN 475 Ca 0.07 -1.64 0.06 0.00 -1.95 0.00 0.00 55.36 51.90 1toz s GLN 475 Cb 0.07 -0.22 0.17 0.00 -0.22 0.00 0.00 33.01 32.81 1toz s GLN 475 CO -0.10 -0.22 0.55 0.00 -0.25 0.00 0.00 175.29 175.28 1toz s ILE 477 N 1.35 3.75 0.52 0.00 -1.09 -0.91 -4.55 121.20 120.28 1toz s ILE 477 Ca 0.21 0.84 0.08 0.00 -2.23 0.00 0.00 60.65 59.55 1toz s ILE 477 Cb -0.06 -3.80 0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1toz s ILE 477 CO -0.06 -0.37 0.61 0.00 -1.23 0.00 0.00 174.94 173.89 1toz s MET 479 N -4.45 4.01 -0.59 0.00 -1.94 -1.26 -4.93 119.30 110.14 1toz s MET 479 Ca 0.53 0.80 -0.06 0.00 -1.71 0.00 0.00 55.69 55.25 1toz s MET 479 Cb -0.05 -2.30 -0.14 0.00 2.01 0.00 0.00 34.83 34.35 1toz s MET 479 CO 0.33 -0.01 2.67 -0.35 -0.01 0.00 0.00 175.02 177.65 1toz n PRO 480 N -0.83 2.11 0.00 2.03 -0.04 -1.26 -3.00 135.00 134.00 1toz n PRO 480 Ca 0.05 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1toz n PRO 480 Cb 0.54 -2.22 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 3.13 -0.03 3.85 0.55 0.00 -1.26 -5.13 105.19 106.30 1toz n GLY 481 Ca 0.45 -0.02 -0.22 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 -1.40 2.62 0.38 1.61 2.02 -1.16 -3.68 117.35 117.74 1toz s TYR 482 Ca 0.00 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.05 1toz s TYR 482 Cb 0.00 -2.11 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1toz s TYR 482 CO 0.00 -0.08 0.70 -2.00 -1.57 0.00 0.00 175.55 172.60 1toz s GLU 483 N -4.09 2.17 0.00 -0.62 2.56 0.47 -4.72 118.70 114.47 1toz s GLU 483 Ca 0.46 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.86 1toz s GLU 483 Cb -0.01 0.57 0.00 0.00 2.00 0.00 0.00 34.13 36.69 1toz s GLU 483 CO 0.26 -0.99 0.00 0.41 -0.56 0.00 0.00 175.26 174.39 1toz n GLY 484 N -0.55 0.61 0.22 -1.50 0.00 -1.26 -1.30 105.19 101.41 1toz n GLY 484 Ca -0.06 -2.28 -0.03 0.00 0.00 0.00 0.00 46.02 43.66 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 1.28 -0.01 1.61 3.04 -1.98 -2.89 116.25 117.30 1toz h VAL 485 Ca 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 1toz h VAL 485 Cb 0.00 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1toz h VAL 485 CO 0.00 0.41 -0.31 1.41 -1.01 0.00 0.00 177.57 178.07 1toz n HIS 486 N -4.09 0.00 -3.49 3.17 8.25 -1.26 -4.74 115.22 113.05 1toz n HIS 486 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1toz n HIS 486 Cb 0.43 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -4.59 1.30 -3.52 0.00 2.13 -1.15 -4.40 120.64 110.41 1toz n GLU 488 Ca -0.02 -0.40 -0.37 0.00 0.66 0.00 0.00 57.16 57.03 1toz n GLU 488 Cb 0.57 -0.88 -0.09 0.00 0.27 0.00 0.00 31.44 31.31 1toz n GLU 488 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1toz s VAL 489 N -0.37 5.28 0.47 6.31 -7.23 -0.42 -4.92 120.40 119.53 1toz s VAL 489 Ca 0.01 0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 60.38 1toz s VAL 489 Cb 0.01 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.27 1toz s VAL 489 CO 0.02 0.29 1.25 0.21 -0.31 0.00 0.00 175.10 176.56 1toz s ASN 490 N 1.11 5.92 1.00 4.85 3.84 -1.26 -0.39 114.94 130.00 1toz s ASN 490 Ca 0.13 2.52 -0.18 0.00 0.21 0.00 0.00 52.86 55.54 1toz s ASN 490 Cb -0.14 -2.62 -0.15 0.00 -0.55 0.00 0.00 41.25 37.79 1toz s ASN 490 CO 0.06 -1.11 -0.85 1.07 -2.79 0.00 0.00 177.10 173.48 1toz n THR 491 N -0.52 0.00 -1.02 -5.21 5.66 -1.24 -4.79 114.28 107.15 1toz n THR 491 Ca 0.07 -0.41 -0.22 0.00 -3.05 0.00 0.00 64.05 60.44 1toz n THR 491 Cb 0.46 -0.03 0.18 0.00 -1.55 0.00 0.00 70.33 69.39 1toz n THR 491 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1toz n ASP 492 N 3.24 -1.53 -0.79 1.09 2.03 -1.26 -4.84 116.55 114.49 1toz n ASP 492 Ca -0.02 -1.04 -0.03 0.00 0.52 0.00 0.00 54.79 54.22 1toz n ASP 492 Cb 0.59 -0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1toz n ASP 492 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1toz n GLU 493 N -3.83 0.00 -2.19 -0.67 0.00 -1.26 -4.93 120.64 107.77 1toz n GLU 493 Ca 0.11 -0.63 -0.22 0.00 0.00 0.00 0.00 57.16 56.43 1toz n GLU 493 Cb 0.43 0.22 0.02 0.00 0.00 0.00 0.00 31.44 32.11 1toz n GLU 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1toz h ALA 495 N 2.30 1.00 -1.52 0.00 0.00 -2.03 -3.14 119.26 115.87 1toz h ALA 495 Ca 0.30 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.67 1toz h ALA 495 Cb 1.41 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 1toz h ALA 495 CO 0.71 0.00 -0.84 0.43 0.00 0.00 0.00 179.25 179.55 1toz n SER 496 N -2.47 3.83 0.00 0.00 7.64 -1.26 -4.82 113.62 116.54 1toz n SER 496 Ca 0.03 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1toz n SER 496 Cb 0.32 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1toz n SER 496 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1toz n SER 497 N -0.33 0.00 -2.38 6.43 3.41 -1.19 -5.03 113.62 114.53 1toz n SER 497 Ca 0.31 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1toz n SER 497 Cb 0.66 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 1toz n SER 497 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1toz n PRO 498 N 0.00 1.79 -1.47 4.33 -0.04 -1.24 -4.83 135.00 133.53 1toz n PRO 498 Ca 0.00 -0.98 -0.44 0.00 -0.04 0.00 0.00 63.50 62.04 1toz n PRO 498 Cb 0.00 -2.04 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1toz n PRO 498 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1toz n LEU 500 N 11.43 0.22 0.01 0.00 -0.00 -0.53 -1.48 117.00 126.66 1toz n LEU 500 Ca 0.52 -1.26 -0.01 0.00 -0.00 0.00 0.00 56.01 55.26 1toz n LEU 500 Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1toz n LEU 500 CO 0.84 0.38 -0.35 1.41 -0.00 0.00 0.00 177.39 179.67 1toz n HIS 501 N 0.12 0.00 0.71 1.47 8.25 -1.26 -4.77 115.22 119.74 1toz n HIS 501 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1toz n HIS 501 Cb 0.80 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.79 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 -3.23 0.70 -3.65 0.41 5.15 -1.26 -4.78 115.26 108.60 1toz n ASN 502 Ca -0.01 -0.62 -0.03 0.00 -0.60 0.00 0.00 54.58 53.32 1toz n ASN 502 Cb 0.33 1.14 -0.01 0.00 -0.53 0.00 0.00 39.78 40.71 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 -3.43 -0.15 -0.26 8.20 0.00 -1.25 -4.22 107.32 106.20 1toz s GLY 503 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1toz s GLY 503 CO 0.86 0.47 -0.06 -1.60 0.00 0.00 0.00 173.10 172.77 1toz s ARG 504 N -3.00 2.62 -0.15 2.90 3.52 -0.80 -1.46 118.95 122.57 1toz s ARG 504 Ca 0.14 -1.12 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 1toz s ARG 504 Cb -0.01 -3.00 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 1toz s ARG 504 CO 0.03 -0.48 2.06 0.00 -0.81 0.00 0.00 175.30 176.10 1toz s LEU 506 N 6.84 4.22 -0.78 0.00 2.96 -0.82 -4.95 118.68 126.15 1toz s LEU 506 Ca 0.93 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 54.90 1toz s LEU 506 Cb -0.34 -2.08 0.11 0.00 0.50 0.00 0.00 46.19 44.37 1toz s LEU 506 CO 0.36 0.21 0.99 -0.62 -1.32 0.00 0.00 176.35 175.98 1toz s ASP 507 N 0.16 6.40 0.34 3.68 3.68 -1.26 -2.30 116.67 127.37 1toz s ASP 507 Ca 0.09 -1.59 -0.04 0.00 2.13 0.00 0.00 52.55 53.14 1toz s ASP 507 Cb -0.11 -2.39 -0.05 0.00 -1.45 0.00 0.00 42.92 38.93 1toz s ASP 507 CO -0.01 -1.20 0.60 -0.54 0.13 0.00 0.00 175.17 174.16 1toz s LYS 508 N 3.12 3.60 -0.91 4.34 -0.14 -0.33 -4.80 119.74 124.62 1toz s LYS 508 Ca 0.25 -0.00 -0.08 0.00 -1.36 0.00 0.00 55.97 54.78 1toz s LYS 508 Cb -0.12 -2.59 -0.14 0.00 -1.68 0.00 0.00 37.83 33.30 1toz s LYS 508 CO 0.00 0.12 2.93 0.44 -0.76 0.00 0.00 175.35 178.07 1toz n ILE 509 N -1.35 3.38 0.00 2.17 -5.35 -1.26 -3.42 119.36 113.53 1toz n ILE 509 Ca -0.02 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.54 1toz n ILE 509 Cb 0.55 -2.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.16 1toz n ILE 509 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1toz n ASN 510 N 3.31 0.00 -0.34 7.28 5.15 -1.26 -4.99 115.26 124.41 1toz n ASN 510 Ca 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 1toz n ASN 510 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1toz n ASN 510 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1toz n GLU 511 N 0.00 0.00 -5.19 1.20 0.28 -1.22 -5.15 120.64 110.56 1toz n GLU 511 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1toz n GLU 511 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 1toz n GLU 511 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1toz s PHE 512 N -2.31 2.17 -0.22 -1.84 -0.71 -1.26 -1.18 117.98 112.63 1toz s PHE 512 Ca 0.00 -0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 1toz s PHE 512 Cb 0.00 -1.41 0.06 0.00 -1.21 0.00 0.00 43.02 40.47 1toz s PHE 512 CO 0.00 -0.07 0.02 -0.65 -1.34 0.00 0.00 175.22 173.18 1toz s GLN 513 N -0.48 0.91 -0.56 1.99 -1.52 -0.97 -4.92 119.66 114.11 1toz s GLN 513 Ca 0.07 -0.64 -0.28 0.00 -1.95 0.00 0.00 55.36 52.55 1toz s GLN 513 Cb -0.10 -2.22 0.02 0.00 -0.22 0.00 0.00 33.01 30.48 1toz s GLN 513 CO -0.00 -0.67 1.33 0.00 -0.25 0.00 0.00 175.29 175.70 1toz n GLU 515 N 8.53 0.58 -3.79 0.00 0.28 -0.22 -4.56 120.64 121.45 1toz n GLU 515 Ca 0.11 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.74 1toz n GLU 515 Cb 0.49 0.00 -0.06 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 n PRO 517 N 1.91 0.65 0.00 0.00 -0.04 -1.26 -4.63 135.00 131.63 1toz n PRO 517 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1toz n PRO 517 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1toz n PRO 517 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1toz n THR 518 N -0.71 0.00 -0.05 0.52 5.66 -1.26 -4.76 114.28 113.67 1toz n THR 518 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1toz n THR 518 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1toz n THR 518 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1toz h GLY 519 N 0.00 0.81 0.51 1.09 0.00 -1.96 -3.24 103.07 100.28 1toz h GLY 519 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 47.33 46.47 1toz h GLY 519 CO 0.00 0.80 -0.23 -2.75 0.00 0.00 0.00 176.54 174.35 1toz h PHE 520 N 0.59 -0.62 -2.71 5.60 3.57 -1.91 -3.42 116.94 118.04 1toz h PHE 520 Ca 0.03 0.02 -0.48 0.00 3.53 0.00 0.00 57.97 61.07 1toz h PHE 520 Cb 1.04 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1toz h PHE 520 CO 0.05 -0.32 -0.26 -0.08 -2.23 0.00 0.00 178.31 175.47 1toz s THR 521 N -6.08 5.15 0.00 4.41 -1.32 -1.22 -5.04 115.64 111.53 1toz s THR 521 Ca -0.15 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1toz s THR 521 Cb 0.09 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1toz s THR 521 CO 0.66 -0.44 1.00 0.61 -2.21 0.00 0.00 174.62 174.23 1toz n GLY 522 N -1.50 -2.62 2.66 6.08 0.00 -1.26 -4.64 105.19 103.91 1toz n GLY 522 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1toz n GLY 522 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1toz n HIS 523 N -2.23 -2.96 -3.26 1.61 -0.00 -1.26 -4.92 115.22 102.20 1toz n HIS 523 Ca 0.00 -1.98 -0.25 0.00 0.46 0.00 0.00 57.72 55.95 1toz n HIS 523 Cb 0.00 1.25 -0.07 0.00 -0.12 0.00 0.00 29.99 31.04 1toz n HIS 523 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1toz n LEU 524 N 1.92 1.20 0.00 0.27 4.77 -1.26 -4.88 117.00 119.02 1toz n LEU 524 Ca 0.13 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1toz n LEU 524 Cb 0.60 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1toz n LEU 524 CO 0.05 2.06 0.00 0.00 -1.33 0.00 0.00 177.39 178.17