#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5h n SER 451 N 0.00 -7.06 -4.47 1.61 7.64 -1.26 -4.82 113.62 105.26 1i5h n SER 451 Ca 0.00 0.66 -0.30 0.00 1.01 0.00 0.00 58.87 60.24 1i5h n SER 451 Cb 0.00 -3.91 0.20 0.00 -1.01 0.00 0.00 64.21 59.50 1i5h n SER 451 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1i5h n PRO 452 N -3.72 -1.55 0.00 1.43 -0.02 -1.26 -4.96 135.00 124.92 1i5h n PRO 452 Ca -0.01 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1i5h n PRO 452 Cb 0.64 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1i5h n PRO 452 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1i5h n VAL 453 N -4.53 0.00 0.00 -1.45 0.24 -1.26 -5.02 118.33 106.32 1i5h n VAL 453 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1i5h n VAL 453 Cb 0.55 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1i5h n VAL 453 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i5h n ASP 454 N -1.83 0.67 0.00 -1.34 5.75 -1.26 -5.05 116.55 113.49 1i5h n ASP 454 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1i5h n ASP 454 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1i5h n ASP 454 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1i5h n SER 455 N -2.32 0.00 -2.06 -1.12 2.88 -1.26 -4.83 113.62 104.90 1i5h n SER 455 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1i5h n SER 455 Cb 0.19 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 1i5h n SER 455 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1i5h n ASN 456 N 3.98 -6.15 -4.81 -3.46 2.85 -1.26 -4.97 115.26 101.44 1i5h n ASN 456 Ca 0.00 1.30 -0.36 0.00 -0.11 0.00 0.00 54.58 55.41 1i5h n ASN 456 Cb 0.00 -4.14 -0.06 0.00 1.24 0.00 0.00 39.78 36.82 1i5h n ASN 456 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1i5h s ASP 457 N -0.45 7.07 0.00 1.20 1.01 -1.26 -4.96 116.67 119.28 1i5h s ASP 457 Ca -0.05 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.64 1i5h s ASP 457 Cb 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1i5h s ASP 457 CO 0.13 0.05 0.00 0.18 0.21 0.00 0.00 175.17 175.74 1i5h n LEU 458 N 0.81 1.04 0.00 1.23 4.77 -1.26 -5.16 117.00 118.43 1i5h n LEU 458 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1i5h n LEU 458 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1i5h n LEU 458 CO 0.43 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1i5h n GLY 459 N 2.48 0.27 2.88 -0.72 0.00 -1.26 -4.85 105.19 103.98 1i5h n GLY 459 Ca 0.00 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1i5h n GLY 459 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i5h n PRO 460 N 0.00 1.03 -1.47 1.61 -0.02 -1.26 -4.81 135.00 130.08 1i5h n PRO 460 Ca 0.00 -1.08 0.19 0.00 -2.02 0.00 0.00 63.50 60.59 1i5h n PRO 460 Cb 0.00 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 1i5h n PRO 460 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i5h n LEU 461 N 5.22 -0.90 -4.64 2.45 4.77 -1.26 -4.88 117.00 117.76 1i5h n LEU 461 Ca 0.27 2.06 -0.30 0.00 -0.03 0.00 0.00 56.01 58.01 1i5h n LEU 461 Cb 0.13 -4.68 0.22 0.00 -2.33 0.00 0.00 43.42 36.76 1i5h n LEU 461 CO 0.69 -3.02 0.65 -2.84 -1.33 0.00 0.00 177.39 171.54 1i5h s PRO 462 N -3.34 -0.71 0.18 3.23 0.02 -1.26 -4.91 135.00 128.21 1i5h s PRO 462 Ca 0.00 0.03 -0.31 0.00 0.02 0.00 0.00 61.00 60.74 1i5h s PRO 462 Cb 0.00 -1.65 -0.10 0.00 0.02 0.00 0.00 34.50 32.78 1i5h s PRO 462 CO 0.00 -3.39 1.48 -1.25 -0.33 0.00 0.00 177.00 173.51 1i5h s PRO 463 N -5.35 4.26 0.00 5.54 0.04 -1.26 -2.16 135.00 136.06 1i5h s PRO 463 Ca 0.70 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1i5h s PRO 463 Cb -0.11 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1i5h s PRO 463 CO 0.56 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1i5h n GLY 464 N 3.18 2.17 3.93 0.56 0.00 -1.26 -4.87 105.19 108.92 1i5h n GLY 464 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1i5h n GLY 464 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i5h s TRP 465 N -2.78 3.35 -0.09 1.61 0.52 -0.92 0.91 118.94 121.54 1i5h s TRP 465 Ca 0.00 0.45 -0.15 0.00 0.02 0.00 0.00 56.10 56.42 1i5h s TRP 465 Cb 0.00 -2.30 0.03 0.00 -1.15 0.00 0.00 33.47 30.05 1i5h s TRP 465 CO 0.00 -0.33 0.38 -1.21 0.02 0.00 0.00 176.95 175.81 1i5h s GLU 466 N -4.62 0.57 -0.55 4.98 0.41 0.89 -4.84 118.70 115.54 1i5h s GLU 466 Ca 0.47 0.26 -0.19 0.00 -0.41 0.00 0.00 54.97 55.11 1i5h s GLU 466 Cb -0.10 0.27 0.08 0.00 -1.78 0.00 0.00 34.13 32.60 1i5h s GLU 466 CO 0.40 -0.12 0.66 -1.83 -0.49 0.00 0.00 175.26 173.89 1i5h s GLU 467 N -0.42 3.08 0.03 1.61 -1.05 -1.26 -1.82 118.70 118.87 1i5h s GLU 467 Ca -0.06 -1.11 0.01 0.00 -0.15 0.00 0.00 54.97 53.66 1i5h s GLU 467 Cb -0.03 -4.18 -0.04 0.00 -0.44 0.00 0.00 34.13 29.43 1i5h s GLU 467 CO 0.02 -1.38 0.09 1.03 0.95 0.00 0.00 175.26 175.97 1i5h s ARG 468 N 2.65 3.02 -0.16 -4.83 1.81 -0.89 -4.95 118.95 115.59 1i5h s ARG 468 Ca 0.13 -0.57 -0.20 0.00 -1.72 0.00 0.00 55.73 53.37 1i5h s ARG 468 Cb -0.22 -2.82 -0.03 0.00 -0.45 0.00 0.00 34.95 31.43 1i5h s ARG 468 CO 0.09 0.61 0.59 0.95 -0.68 0.00 0.00 175.30 176.86 1i5h s THR 469 N -1.30 5.07 0.67 0.02 -4.23 -1.26 -0.42 115.64 114.19 1i5h s THR 469 Ca 0.26 1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 61.79 1i5h s THR 469 Cb -0.12 -3.91 -0.01 0.00 1.34 0.00 0.00 72.50 69.80 1i5h s THR 469 CO 0.18 0.18 1.06 -2.28 -0.54 0.00 0.00 174.62 173.23 1i5h s HIS 470 N 1.46 3.40 0.63 3.99 2.46 -0.34 -4.91 115.29 121.98 1i5h s HIS 470 Ca 0.28 1.22 0.35 0.00 0.47 0.00 0.00 55.06 57.39 1i5h s HIS 470 Cb -0.16 -2.88 1.97 0.00 -0.13 0.00 0.00 32.58 31.38 1i5h s HIS 470 CO 0.11 -1.00 2.19 1.15 -2.47 0.00 0.00 174.74 174.72 1i5h h THR 471 N -0.54 0.22 0.00 0.89 2.02 -1.98 0.14 112.91 113.66 1i5h h THR 471 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1i5h h THR 471 Cb 1.22 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1i5h h THR 471 CO 0.62 0.00 -0.61 0.47 0.37 0.00 0.00 175.52 176.36 1i5h n ASP 472 N -3.38 0.61 0.00 4.18 8.00 -1.26 -4.95 116.55 119.76 1i5h n ASP 472 Ca -0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1i5h n ASP 472 Cb 0.20 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1i5h n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i5h n GLY 473 N 1.39 2.57 3.67 0.44 0.00 0.49 -5.07 105.19 108.69 1i5h n GLY 473 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1i5h n GLY 473 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5h s ARG 474 N -0.52 4.31 -0.43 1.61 0.52 -1.26 -4.57 118.95 118.61 1i5h s ARG 474 Ca 0.00 1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1i5h s ARG 474 Cb 0.00 -3.63 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1i5h s ARG 474 CO 0.00 -0.54 1.14 0.54 0.02 0.00 0.00 175.30 176.46 1i5h s VAL 475 N 2.78 4.27 0.73 3.52 0.11 -1.26 -1.20 120.40 129.35 1i5h s VAL 475 Ca 0.51 1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 60.88 1i5h s VAL 475 Cb -0.20 -4.53 0.12 0.00 -1.53 0.00 0.00 36.38 30.24 1i5h s VAL 475 CO 0.15 -0.85 1.01 0.72 -3.33 0.00 0.00 175.10 172.81 1i5h s PHE 476 N 4.29 1.84 0.09 1.54 -0.71 0.43 -4.84 117.98 120.63 1i5h s PHE 476 Ca 0.48 -0.11 0.04 0.00 -1.04 0.00 0.00 56.93 56.30 1i5h s PHE 476 Cb -0.09 -3.12 -0.04 0.00 -1.21 0.00 0.00 43.02 38.56 1i5h s PHE 476 CO 0.27 -1.71 0.05 -0.06 -1.34 0.00 0.00 175.22 172.43 1i5h s PHE 477 N -3.20 3.10 -0.15 3.49 0.40 -1.07 -2.10 117.98 118.45 1i5h s PHE 477 Ca 0.66 0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1i5h s PHE 477 Cb -0.06 -1.57 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1i5h s PHE 477 CO 0.45 0.50 0.32 -1.50 0.70 0.00 0.00 175.22 175.69 1i5h s ILE 478 N -1.39 -0.33 0.15 0.64 2.07 -0.76 -1.32 121.20 120.27 1i5h s ILE 478 Ca 0.28 0.20 -0.04 0.00 -1.41 0.00 0.00 60.65 59.68 1i5h s ILE 478 Cb -0.12 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 1i5h s ILE 478 CO 0.21 0.08 0.38 0.54 -1.91 0.00 0.00 174.94 174.23 1i5h s ASN 479 N 2.06 6.47 0.02 4.50 4.22 -0.94 -0.07 114.94 131.20 1i5h s ASN 479 Ca -0.03 0.56 0.22 0.00 -2.14 0.00 0.00 52.86 51.46 1i5h s ASN 479 Cb -0.11 -2.08 -0.19 0.00 1.28 0.00 0.00 41.25 40.15 1i5h s ASN 479 CO -0.10 0.04 0.75 1.41 -2.04 0.00 0.00 177.10 177.16 1i5h n HIS 480 N -0.02 0.17 -0.15 1.54 8.25 0.26 -2.52 115.22 122.75 1i5h n HIS 480 Ca -0.03 0.05 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1i5h n HIS 480 Cb 0.52 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 31.25 1i5h n HIS 480 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1i5h h ASN 481 N 0.00 -0.15 0.00 0.41 2.35 -1.92 -3.22 115.58 113.06 1i5h h ASN 481 Ca 0.00 0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1i5h h ASN 481 Cb 0.84 0.18 -0.10 0.00 0.05 0.00 0.00 38.32 39.29 1i5h h ASN 481 CO 0.00 -0.04 -0.55 2.30 -1.65 0.00 0.00 177.43 177.49 1i5h n ILE 482 N -5.19 0.60 -3.46 2.81 -5.35 -1.26 -5.06 119.36 102.45 1i5h n ILE 482 Ca 0.05 -1.05 -0.34 0.00 -0.27 0.00 0.00 62.75 61.15 1i5h n ILE 482 Cb 0.26 0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1i5h n ILE 482 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1i5h n LYS 483 N -0.26 -1.70 -3.67 6.28 4.01 -1.07 -5.00 118.16 116.75 1i5h n LYS 483 Ca 0.07 1.34 -0.10 0.00 -0.51 0.00 0.00 58.31 59.10 1i5h n LYS 483 Cb 0.81 -1.91 -0.11 0.00 -0.51 0.00 0.00 35.03 33.31 1i5h n LYS 483 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i5h s LYS 484 N -2.24 0.31 0.34 1.97 2.20 -1.05 -4.99 119.74 116.29 1i5h s LYS 484 Ca 0.33 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1i5h s LYS 484 Cb -0.03 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1i5h s LYS 484 CO 0.75 -0.22 0.51 -0.08 -0.36 0.00 0.00 175.35 175.95 1i5h s THR 485 N 2.11 4.71 -0.22 3.43 -1.32 -1.26 -2.21 115.64 120.88 1i5h s THR 485 Ca -0.04 -0.70 -0.25 0.00 -1.21 0.00 0.00 61.69 59.49 1i5h s THR 485 Cb -0.11 -3.70 0.07 0.00 -1.51 0.00 0.00 72.50 67.25 1i5h s THR 485 CO -0.12 -0.38 0.68 0.00 -2.21 0.00 0.00 174.62 172.59 1i5h s GLN 486 N -4.26 0.83 0.19 7.08 -2.07 -0.44 -4.98 119.66 116.02 1i5h s GLN 486 Ca 0.41 0.82 -0.03 0.00 -1.82 0.00 0.00 55.36 54.74 1i5h s GLN 486 Cb -0.09 0.40 0.10 0.00 -1.09 0.00 0.00 33.01 32.33 1i5h s GLN 486 CO 0.34 -0.13 1.49 -1.49 -1.32 0.00 0.00 175.29 174.18 1i5h h TRP 487 N 4.72 0.70 -3.69 9.60 4.06 -1.98 -2.83 115.95 126.53 1i5h h TRP 487 Ca -0.28 -0.25 -0.47 0.00 2.06 0.00 0.00 58.89 59.94 1i5h h TRP 487 Cb 1.16 -0.13 0.20 0.00 -1.00 0.00 0.00 29.16 29.39 1i5h h TRP 487 CO 0.39 0.99 0.11 -1.21 -3.56 0.00 0.00 178.44 175.16 1i5h s GLU 488 N -3.96 -0.05 -0.47 0.49 8.01 -1.26 -4.78 118.70 116.68 1i5h s GLU 488 Ca -0.07 1.06 -0.19 0.00 0.01 0.00 0.00 54.97 55.78 1i5h s GLU 488 Cb 0.11 -1.64 0.04 0.00 -4.31 0.00 0.00 34.13 28.33 1i5h s GLU 488 CO 0.84 -3.20 0.56 -0.51 0.01 0.00 0.00 175.26 172.96 1i5h s ASP 489 N -2.69 6.23 0.17 -0.19 1.01 -1.26 -4.67 116.67 115.27 1i5h s ASP 489 Ca 0.67 -0.77 -0.01 0.00 0.71 0.00 0.00 52.55 53.15 1i5h s ASP 489 Cb -0.23 -2.27 0.05 0.00 1.01 0.00 0.00 42.92 41.48 1i5h s ASP 489 CO 0.61 -0.76 1.42 1.55 0.21 0.00 0.00 175.17 178.21 1i5h h PRO 490 N 8.88 0.39 0.00 8.23 0.13 -1.93 -3.06 132.00 144.63 1i5h h PRO 490 Ca -0.27 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1i5h h PRO 490 Cb 1.10 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1i5h h PRO 490 CO 0.90 0.97 0.00 0.07 -0.23 0.00 0.00 178.00 179.71 1i5h h ARG 491 N 0.26 0.00 0.00 0.86 0.11 -2.00 -2.97 114.38 110.64 1i5h h ARG 491 Ca -0.03 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.83 1i5h h ARG 491 Cb 1.33 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.38 1i5h h ARG 491 CO 0.13 0.00 -1.15 1.98 0.10 0.00 0.00 179.97 181.03 1i5h h MET 492 N 0.00 0.00 -3.75 0.08 4.05 -1.91 -3.38 114.93 110.01 1i5h h MET 492 Ca 0.00 0.00 -0.60 0.00 -0.28 0.00 0.00 59.70 58.82 1i5h h MET 492 Cb 0.52 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1i5h h MET 492 CO 0.00 0.78 2.96 1.04 0.23 0.00 0.00 176.91 181.92 1i5h n GLN 493 N -3.23 2.51 -0.04 0.39 6.02 -1.12 -4.56 117.38 117.35 1i5h n GLN 493 Ca -0.05 -2.03 -0.12 0.00 -0.01 0.00 0.00 57.00 54.79 1i5h n GLN 493 Cb 0.94 -2.88 -0.10 0.00 1.02 0.00 0.00 30.24 29.22 1i5h n GLN 493 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1i5h h ASN 494 N 6.33 -0.03 1.26 1.08 4.21 -1.83 -3.33 115.58 123.28 1i5h h ASN 494 Ca 0.58 -0.70 -0.14 0.00 1.21 0.00 0.00 56.30 57.26 1i5h h ASN 494 Cb 0.45 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1i5h h ASN 494 CO 1.78 0.74 -0.76 0.58 -1.29 0.00 0.00 177.43 178.48 1i5h h VAL 495 N -0.86 0.97 0.00 2.81 2.07 -1.97 -3.48 116.25 115.79 1i5h h VAL 495 Ca -0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1i5h h VAL 495 Cb 0.73 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1i5h h VAL 495 CO 0.01 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1i5h n ALA 496 N -2.28 0.00 -1.97 1.67 0.00 -1.25 -4.90 120.51 111.77 1i5h n ALA 496 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1i5h n ALA 496 Cb 0.80 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.43 1i5h n ALA 496 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1i5h n ILE 497 N 0.00 0.00 -2.96 0.00 -5.35 -1.26 -5.03 119.36 104.77 1i5h n ILE 497 Ca 0.00 -1.01 -0.41 0.00 -0.27 0.00 0.00 62.75 61.06 1i5h n ILE 497 Cb 0.00 -1.46 -0.04 0.00 -1.74 0.00 0.00 39.64 36.40 1i5h n ILE 497 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1i5h s THR 498 N -3.68 4.94 0.00 7.28 -1.32 -1.26 -5.06 115.64 116.54 1i5h s THR 498 Ca 0.71 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.72 1i5h s THR 498 Cb -0.02 -4.09 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 1i5h s THR 498 CO 0.50 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.61