#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5h h SER 451 N 0.00 0.00 -1.22 1.61 0.87 -2.11 -3.44 113.55 109.26 1i5h h SER 451 Ca 0.00 -0.61 -0.56 0.00 -1.23 0.00 0.00 61.79 59.39 1i5h h SER 451 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1i5h h SER 451 CO 0.00 0.81 1.56 -2.65 -0.53 0.00 0.00 176.83 176.01 1i5h n PRO 452 N -4.67 1.03 0.17 2.24 -0.02 -1.26 -4.80 135.00 127.69 1i5h n PRO 452 Ca -0.06 0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1i5h n PRO 452 Cb 0.29 -2.75 0.12 0.00 -0.02 0.00 0.00 33.50 31.14 1i5h n PRO 452 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1i5h h VAL 453 N 7.44 0.57 -2.97 -1.45 3.04 -2.05 -3.47 116.25 117.36 1i5h h VAL 453 Ca -0.25 -1.73 0.00 0.00 -1.01 0.00 0.00 66.70 63.71 1i5h h VAL 453 Cb 1.29 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.79 1i5h h VAL 453 CO 1.11 0.32 0.00 0.47 -1.01 0.00 0.00 177.57 178.46 1i5h n ASP 454 N -3.20 1.74 0.00 3.17 8.00 -1.26 -4.89 116.55 120.11 1i5h n ASP 454 Ca 0.02 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1i5h n ASP 454 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1i5h n ASP 454 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1i5h n SER 455 N -0.29 0.00 -1.10 -2.24 2.88 -1.24 -4.97 113.62 106.66 1i5h n SER 455 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1i5h n SER 455 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1i5h n SER 455 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i5h n ASN 456 N 4.14 -6.19 -4.04 -3.46 3.02 -1.26 -4.68 115.26 102.79 1i5h n ASN 456 Ca 0.00 0.55 -0.32 0.00 -0.03 0.00 0.00 54.58 54.78 1i5h n ASN 456 Cb 0.00 -3.50 -0.14 0.00 -0.61 0.00 0.00 39.78 35.53 1i5h n ASN 456 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i5h s ASP 457 N -5.66 4.85 0.02 6.41 -1.08 -1.26 -4.92 116.67 115.04 1i5h s ASP 457 Ca 0.00 -2.20 0.19 0.00 -0.52 0.00 0.00 52.55 50.02 1i5h s ASP 457 Cb 0.00 -1.68 -0.18 0.00 -1.46 0.00 0.00 42.92 39.61 1i5h s ASP 457 CO 0.00 -0.41 0.66 0.18 0.52 0.00 0.00 175.17 176.12 1i5h n LEU 458 N 4.24 0.56 0.00 -1.34 4.77 -1.26 -5.09 117.00 118.87 1i5h n LEU 458 Ca 0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1i5h n LEU 458 Cb 0.41 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1i5h n LEU 458 CO 0.25 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1i5h n GLY 459 N 1.40 0.14 3.26 -0.72 0.00 -1.26 -4.73 105.19 103.28 1i5h n GLY 459 Ca -0.11 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 0.83 -1.28 1.61 -0.02 -1.26 -4.79 135.00 130.09 1i5h n PRO 460 Ca 0.00 -1.44 0.15 0.00 -2.02 0.00 0.00 63.50 60.19 1i5h n PRO 460 Cb 0.00 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 30.71 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 8.00 -0.76 -4.64 2.45 4.32 -1.26 -4.88 117.00 120.24 1i5h n LEU 461 Ca 0.47 1.74 -0.29 0.00 -0.02 0.00 0.00 56.01 57.91 1i5h n LEU 461 Cb 0.40 -3.67 0.20 0.00 -1.62 0.00 0.00 43.42 38.73 1i5h n LEU 461 CO 1.09 -2.21 0.63 -2.84 -1.22 0.00 0.00 177.39 172.84 1i5h s PRO 462 N -3.65 -0.31 0.25 3.23 0.02 -1.26 -4.91 135.00 128.38 1i5h s PRO 462 Ca 0.00 0.25 -0.30 0.00 0.02 0.00 0.00 61.00 60.97 1i5h s PRO 462 Cb 0.00 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.74 1i5h s PRO 462 CO 0.00 -3.17 1.51 -1.25 -0.33 0.00 0.00 177.00 173.76 1i5h s PRO 463 N -5.15 4.22 0.00 5.54 0.04 -1.26 -2.06 135.00 136.33 1i5h s PRO 463 Ca 0.68 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1i5h s PRO 463 Cb -0.15 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1i5h s PRO 463 CO 0.57 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1i5h n GLY 464 N 2.49 2.09 3.94 0.56 0.00 -1.26 -4.87 105.19 108.15 1i5h n GLY 464 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.20 3.32 -0.09 1.61 0.52 -0.87 0.13 118.94 120.36 1i5h s TRP 465 Ca 0.00 0.34 -0.13 0.00 0.02 0.00 0.00 56.10 56.32 1i5h s TRP 465 Cb 0.00 -2.23 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1i5h s TRP 465 CO 0.00 -0.26 0.34 -2.00 0.02 0.00 0.00 176.95 175.06 1i5h s GLU 466 N -4.54 0.51 -0.43 4.98 2.12 0.10 -4.86 118.70 116.59 1i5h s GLU 466 Ca 0.46 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.88 1i5h s GLU 466 Cb -0.10 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.56 1i5h s GLU 466 CO 0.38 -0.10 0.40 -1.83 -0.54 0.00 0.00 175.26 173.58 1i5h s GLU 467 N -0.35 3.04 -0.03 4.30 -1.05 -1.26 -1.86 118.70 121.49 1i5h s GLU 467 Ca -0.05 -0.91 0.07 0.00 -0.15 0.00 0.00 54.97 53.93 1i5h s GLU 467 Cb -0.03 -4.00 -0.02 0.00 -0.44 0.00 0.00 34.13 29.64 1i5h s GLU 467 CO 0.02 -0.86 -0.25 1.03 0.95 0.00 0.00 175.26 176.15 1i5h s ARG 468 N 1.97 2.27 0.02 -4.83 1.81 -1.02 -4.96 118.95 114.20 1i5h s ARG 468 Ca 0.09 -0.90 -0.30 0.00 -1.72 0.00 0.00 55.73 52.89 1i5h s ARG 468 Cb -0.19 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 1i5h s ARG 468 CO 0.12 0.51 1.10 -0.08 -0.68 0.00 0.00 175.30 176.27 1i5h s THR 469 N -0.49 4.44 0.78 0.02 -1.32 -1.26 -0.64 115.64 117.17 1i5h s THR 469 Ca 0.06 1.75 -0.12 0.00 -1.21 0.00 0.00 61.69 62.18 1i5h s THR 469 Cb -0.11 -4.12 0.06 0.00 -1.51 0.00 0.00 72.50 66.81 1i5h s THR 469 CO 0.00 0.12 1.12 -2.28 -2.21 0.00 0.00 174.62 171.37 1i5h s HIS 470 N 1.19 3.01 0.62 9.09 2.46 0.45 -4.87 115.29 127.24 1i5h s HIS 470 Ca 0.55 1.00 0.33 0.00 0.47 0.00 0.00 55.06 57.41 1i5h s HIS 470 Cb -0.25 -3.20 1.84 0.00 -0.13 0.00 0.00 32.58 30.84 1i5h s HIS 470 CO 0.27 -1.61 2.14 1.15 -2.47 0.00 0.00 174.74 174.22 1i5h h THR 471 N -0.96 0.29 0.00 0.89 2.02 -1.96 0.27 112.91 113.45 1i5h h THR 471 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1i5h h THR 471 Cb 1.28 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1i5h h THR 471 CO 0.63 0.00 -0.60 0.47 0.37 0.00 0.00 175.52 176.39 1i5h n ASP 472 N -3.49 0.59 0.00 4.18 8.00 -1.26 -4.95 116.55 119.62 1i5h n ASP 472 Ca -0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1i5h n ASP 472 Cb 0.26 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 1.41 2.55 3.67 0.44 0.00 0.95 -5.07 105.19 109.15 1i5h n GLY 473 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.53 4.31 -0.42 1.61 0.52 -1.26 -4.47 118.95 118.70 1i5h s ARG 474 Ca 0.00 1.55 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 1i5h s ARG 474 Cb 0.00 -3.64 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1i5h s ARG 474 CO 0.00 -0.55 1.15 0.54 0.02 0.00 0.00 175.30 176.46 1i5h s VAL 475 N 2.80 4.26 0.73 3.52 0.11 -1.26 -0.41 120.40 130.16 1i5h s VAL 475 Ca 0.52 1.34 -0.02 0.00 -2.93 0.00 0.00 61.98 60.89 1i5h s VAL 475 Cb -0.20 -4.51 0.13 0.00 -1.53 0.00 0.00 36.38 30.27 1i5h s VAL 475 CO 0.15 -0.83 1.01 0.72 -3.33 0.00 0.00 175.10 172.82 1i5h s PHE 476 N 4.32 1.58 0.07 1.54 -0.12 0.19 -4.82 117.98 120.74 1i5h s PHE 476 Ca 0.49 -0.24 0.04 0.00 -0.05 0.00 0.00 56.93 57.16 1i5h s PHE 476 Cb -0.09 -3.05 -0.04 0.00 -0.63 0.00 0.00 43.02 39.21 1i5h s PHE 476 CO 0.27 -1.76 0.01 -0.06 -0.05 0.00 0.00 175.22 173.63 1i5h s PHE 477 N -3.18 3.04 -0.13 3.49 0.40 -1.07 -2.43 117.98 118.09 1i5h s PHE 477 Ca 0.67 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1i5h s PHE 477 Cb -0.05 -1.58 0.06 0.00 0.51 0.00 0.00 43.02 41.96 1i5h s PHE 477 CO 0.45 0.48 0.30 -1.50 0.70 0.00 0.00 175.22 175.65 1i5h s ILE 478 N -1.28 -0.24 0.14 0.64 2.07 -0.78 -1.48 121.20 120.28 1i5h s ILE 478 Ca 0.25 0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.63 1i5h s ILE 478 Cb -0.12 -0.47 -0.06 0.00 0.13 0.00 0.00 42.46 41.95 1i5h s ILE 478 CO 0.17 0.08 0.39 0.54 -1.91 0.00 0.00 174.94 174.21 1i5h s ASN 479 N 1.85 6.51 0.00 4.50 4.22 0.64 0.02 114.94 132.67 1i5h s ASN 479 Ca -0.05 0.63 0.17 0.00 -2.14 0.00 0.00 52.86 51.47 1i5h s ASN 479 Cb -0.11 -2.11 0.09 0.00 1.28 0.00 0.00 41.25 40.40 1i5h s ASN 479 CO -0.10 0.05 0.97 1.41 -2.04 0.00 0.00 177.10 177.40 1i5h n HIS 480 N 0.14 0.00 -0.08 1.54 8.25 0.35 -2.16 115.22 123.27 1i5h n HIS 480 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1i5h n HIS 480 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 2.79 0.39 0.00 0.41 2.35 -1.92 -3.32 115.58 116.29 1i5h h ASN 481 Ca 0.00 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1i5h h ASN 481 Cb 0.65 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.83 1i5h h ASN 481 CO 0.00 0.54 -0.49 2.30 -1.65 0.00 0.00 177.43 178.13 1i5h n ILE 482 N -4.70 1.12 -3.30 2.81 -5.35 -1.26 -5.04 119.36 103.63 1i5h n ILE 482 Ca -0.03 -1.73 -0.27 0.00 -0.27 0.00 0.00 62.75 60.45 1i5h n ILE 482 Cb 0.19 0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.33 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 -0.58 -2.03 -3.84 6.28 4.01 -1.24 -5.02 118.16 115.73 1i5h n LYS 483 Ca 0.11 1.61 -0.10 0.00 -0.51 0.00 0.00 58.31 59.43 1i5h n LYS 483 Cb 0.78 -3.37 -0.06 0.00 -0.51 0.00 0.00 35.03 31.88 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 -2.69 1.18 0.14 1.97 2.20 -0.92 -5.03 119.74 116.60 1i5h s LYS 484 Ca 0.30 -1.00 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 1i5h s LYS 484 Cb -0.05 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1i5h s LYS 484 CO 0.84 -0.46 0.19 -0.08 -0.36 0.00 0.00 175.35 175.49 1i5h s THR 485 N -3.91 0.09 -0.07 3.43 -1.32 -1.26 -0.26 115.64 112.33 1i5h s THR 485 Ca 0.12 -1.56 -0.28 0.00 -1.21 0.00 0.00 61.69 58.76 1i5h s THR 485 Cb 0.02 -1.86 0.06 0.00 -1.51 0.00 0.00 72.50 69.22 1i5h s THR 485 CO -0.04 -0.41 0.64 0.00 -2.21 0.00 0.00 174.62 172.61 1i5h s GLN 486 N -3.98 0.98 0.11 7.08 -2.07 -0.55 -4.99 119.66 116.24 1i5h s GLN 486 Ca 0.18 0.30 -0.12 0.00 -1.82 0.00 0.00 55.36 53.90 1i5h s GLN 486 Cb 0.05 0.46 -0.12 0.00 -1.09 0.00 0.00 33.01 32.31 1i5h s GLN 486 CO -0.01 -0.28 1.36 -1.49 -1.32 0.00 0.00 175.29 173.55 1i5h h TRP 487 N 3.36 1.08 -3.14 9.60 -0.00 -1.98 -2.83 115.95 122.03 1i5h h TRP 487 Ca -0.27 -0.42 -0.42 0.00 -0.00 0.00 0.00 58.89 57.78 1i5h h TRP 487 Cb 1.15 -0.19 0.21 0.00 -0.00 0.00 0.00 29.16 30.33 1i5h h TRP 487 CO 0.40 1.25 -0.04 -1.21 -0.00 0.00 0.00 178.44 178.84 1i5h s GLU 488 N -3.97 -1.68 -0.41 0.49 0.41 -1.26 -4.67 118.70 107.61 1i5h s GLU 488 Ca -0.11 0.60 -0.08 0.00 -0.41 0.00 0.00 54.97 54.96 1i5h s GLU 488 Cb 0.09 -1.48 0.08 0.00 -1.78 0.00 0.00 34.13 31.04 1i5h s GLU 488 CO 0.89 -4.17 0.24 -0.51 -0.49 0.00 0.00 175.26 171.23 1i5h s ASP 489 N -2.69 5.58 0.23 -0.19 1.11 -1.26 -4.52 116.67 114.93 1i5h s ASP 489 Ca 0.69 -1.51 -0.03 0.00 0.18 0.00 0.00 52.55 51.87 1i5h s ASP 489 Cb -0.22 -1.97 0.24 0.00 1.07 0.00 0.00 42.92 42.05 1i5h s ASP 489 CO 0.63 -0.52 1.68 1.55 1.18 0.00 0.00 175.17 179.69 1i5h h PRO 490 N 8.37 0.79 0.00 8.23 0.13 -1.94 -1.54 132.00 146.03 1i5h h PRO 490 Ca -0.22 -0.27 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1i5h h PRO 490 Cb 1.08 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1i5h h PRO 490 CO 0.74 0.88 -0.28 0.07 -0.23 0.00 0.00 178.00 179.18 1i5h h ARG 491 N 0.71 0.00 0.00 0.86 0.11 -1.97 -3.13 114.38 110.96 1i5h h ARG 491 Ca 0.12 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.99 1i5h h ARG 491 Cb 0.62 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.67 1i5h h ARG 491 CO 0.04 0.28 -1.18 1.98 0.10 0.00 0.00 179.97 181.20 1i5h h MET 492 N 0.00 0.00 -2.83 0.08 4.05 -1.77 -3.38 114.93 111.08 1i5h h MET 492 Ca -0.00 0.00 -0.78 0.00 -0.28 0.00 0.00 59.70 58.63 1i5h h MET 492 Cb 0.95 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 31.54 1i5h h MET 492 CO 0.04 0.65 1.46 0.94 0.23 0.00 0.00 176.91 180.23 1i5h n GLN 493 N -3.16 4.54 0.02 0.39 7.27 -0.61 -3.65 117.38 122.18 1i5h n GLN 493 Ca -0.06 -4.13 -0.02 0.00 0.07 0.00 0.00 57.00 52.87 1i5h n GLN 493 Cb 0.92 -2.62 -0.01 0.00 2.41 0.00 0.00 30.24 30.94 1i5h n GLN 493 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1i5h h ASN 494 N 5.04 -0.10 -3.05 1.69 2.35 -1.74 -3.48 115.58 116.29 1i5h h ASN 494 Ca 0.43 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.76 1i5h h ASN 494 Cb 0.48 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1i5h h ASN 494 CO 1.40 0.15 -0.54 0.52 -1.65 0.00 0.00 177.43 177.31 1i5h n VAL 495 N -3.53 -1.04 -3.35 2.81 0.31 -1.26 -4.94 118.33 107.32 1i5h n VAL 495 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1i5h n VAL 495 Cb 0.04 -3.01 -0.03 0.00 -0.91 0.00 0.00 33.84 29.93 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5h s ALA 496 N -3.05 -2.76 0.90 3.52 0.00 -1.26 -5.17 121.76 113.94 1i5h s ALA 496 Ca 0.02 1.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.79 1i5h s ALA 496 Cb -0.01 -2.13 0.18 0.00 0.00 0.00 0.00 23.12 21.16 1i5h s ALA 496 CO 0.02 -1.08 1.24 0.42 0.00 0.00 0.00 175.76 176.36 1i5h s ILE 497 N 2.61 2.03 -0.00 0.00 -1.09 -1.26 -5.08 121.20 118.41 1i5h s ILE 497 Ca -0.00 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.28 1i5h s ILE 497 Cb -0.08 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1i5h s ILE 497 CO -0.17 0.00 0.14 0.28 -1.23 0.00 0.00 174.94 173.96 1i5h s THR 498 N -3.71 5.13 0.00 2.92 -1.32 -1.26 -5.26 115.64 112.15 1i5h s THR 498 Ca 0.71 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1i5h s THR 498 Cb -0.05 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1i5h s THR 498 CO 0.51 0.33 0.00 0.61 -2.21 0.00 0.00 174.62 173.86