#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5h s SER 451 N 0.00 3.47 -0.65 1.61 1.04 -1.26 -5.07 113.70 112.83 1i5h s SER 451 Ca 0.00 -1.09 -0.26 0.00 0.48 0.00 0.00 55.95 55.08 1i5h s SER 451 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1i5h s SER 451 CO 0.00 -0.08 1.85 -2.16 0.98 0.00 0.00 173.24 173.83 1i5h s PRO 452 N -3.57 2.64 0.26 4.02 0.04 -1.26 -4.32 135.00 132.82 1i5h s PRO 452 Ca 0.30 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1i5h s PRO 452 Cb -0.02 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1i5h s PRO 452 CO 0.14 -2.78 0.00 0.28 0.04 0.00 0.00 177.00 174.69 1i5h n VAL 453 N 7.25 0.00 -1.63 -0.36 0.31 -1.26 -4.96 118.33 117.67 1i5h n VAL 453 Ca 0.22 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.24 1i5h n VAL 453 Cb 0.51 -0.05 -0.05 0.00 -0.91 0.00 0.00 33.84 33.35 1i5h n VAL 453 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1i5h n ASP 454 N -3.05 7.06 0.01 4.52 5.75 -1.26 -4.59 116.55 124.99 1i5h n ASP 454 Ca 0.00 -3.10 -0.11 0.00 -0.01 0.00 0.00 54.79 51.56 1i5h n ASP 454 Cb 0.00 -1.31 -0.09 0.00 -1.03 0.00 0.00 41.12 38.69 1i5h n ASP 454 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1i5h h SER 455 N 3.68 -0.10 -3.62 -1.12 0.02 -1.93 -3.46 113.55 107.03 1i5h h SER 455 Ca 0.51 -0.50 -0.46 0.00 -0.84 0.00 0.00 61.79 60.50 1i5h h SER 455 Cb 0.61 0.03 0.07 0.00 0.14 0.00 0.00 62.40 63.24 1i5h h SER 455 CO 1.09 0.53 0.18 0.54 -1.14 0.00 0.00 176.83 178.03 1i5h s ASN 456 N -5.67 5.21 -0.30 3.07 4.22 -1.26 -5.10 114.94 115.11 1i5h s ASN 456 Ca -0.14 0.54 -0.16 0.00 -2.14 0.00 0.00 52.86 50.96 1i5h s ASN 456 Cb 0.00 -1.37 0.18 0.00 1.28 0.00 0.00 41.25 41.34 1i5h s ASN 456 CO 0.54 -1.31 1.12 1.51 -2.04 0.00 0.00 177.10 176.92 1i5h s ASP 457 N -4.41 -0.34 -0.15 3.54 -4.77 -1.26 -5.05 116.67 104.23 1i5h s ASP 457 Ca 0.57 0.30 0.08 0.00 -3.30 0.00 0.00 52.55 50.20 1i5h s ASP 457 Cb -0.11 1.32 -0.15 0.00 -1.09 0.00 0.00 42.92 42.89 1i5h s ASP 457 CO 0.44 -0.06 -0.04 0.18 0.70 0.00 0.00 175.17 176.40 1i5h n LEU 458 N 5.18 1.21 0.00 2.11 4.77 -1.26 -5.09 117.00 123.92 1i5h n LEU 458 Ca -0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1i5h n LEU 458 Cb 0.54 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1i5h n LEU 458 CO -0.09 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1i5h n GLY 459 N 2.35 1.16 2.51 -0.72 0.00 -1.26 -4.68 105.19 104.55 1i5h n GLY 459 Ca -0.26 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1i5h n GLY 459 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i5h n PRO 460 N 0.00 2.15 -1.25 1.61 -0.04 -1.26 -4.88 135.00 131.33 1i5h n PRO 460 Ca 0.00 -1.41 0.14 0.00 -0.04 0.00 0.00 63.50 62.19 1i5h n PRO 460 Cb 0.00 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.01 1i5h n PRO 460 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i5h n LEU 461 N 3.89 -0.71 -4.44 1.53 4.77 -1.26 -4.88 117.00 115.90 1i5h n LEU 461 Ca 0.46 1.62 -0.31 0.00 -0.03 0.00 0.00 56.01 57.76 1i5h n LEU 461 Cb 0.21 -3.87 0.27 0.00 -2.33 0.00 0.00 43.42 37.70 1i5h n LEU 461 CO 0.64 -2.29 0.51 -2.84 -1.33 0.00 0.00 177.39 172.08 1i5h s PRO 462 N -3.39 -2.27 -0.08 3.23 0.02 -1.26 -4.94 135.00 126.32 1i5h s PRO 462 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 61.00 60.69 1i5h s PRO 462 Cb 0.00 -1.47 -0.03 0.00 0.02 0.00 0.00 34.50 33.02 1i5h s PRO 462 CO 0.00 -4.41 1.23 -1.25 -0.33 0.00 0.00 177.00 172.25 1i5h s PRO 463 N -5.30 4.32 0.00 5.54 0.04 -1.26 -3.28 135.00 135.06 1i5h s PRO 463 Ca 0.70 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1i5h s PRO 463 Cb -0.10 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1i5h s PRO 463 CO 0.57 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1i5h n GLY 464 N 3.45 0.92 3.20 0.56 0.00 -1.26 -4.93 105.19 107.13 1i5h n GLY 464 Ca 0.12 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.80 1.09 -0.12 1.61 0.52 -1.21 0.25 118.94 118.28 1i5h s TRP 465 Ca 0.00 -1.22 -0.16 0.00 0.02 0.00 0.00 56.10 54.74 1i5h s TRP 465 Cb 0.00 -0.60 0.04 0.00 -1.15 0.00 0.00 33.47 31.76 1i5h s TRP 465 CO 0.00 -0.46 0.42 -1.21 0.02 0.00 0.00 176.95 175.72 1i5h s GLU 466 N -4.05 0.58 -0.55 4.98 2.02 0.88 -4.91 118.70 117.66 1i5h s GLU 466 Ca 0.29 0.40 -0.18 0.00 0.02 0.00 0.00 54.97 55.50 1i5h s GLU 466 Cb 0.07 0.27 0.09 0.00 0.10 0.00 0.00 34.13 34.66 1i5h s GLU 466 CO 0.06 -0.11 0.62 -1.83 0.02 0.00 0.00 175.26 174.03 1i5h s GLU 467 N -0.22 3.05 -0.06 1.61 -1.05 -1.26 -2.12 118.70 118.65 1i5h s GLU 467 Ca -0.04 -1.23 -0.01 0.00 -0.15 0.00 0.00 54.97 53.54 1i5h s GLU 467 Cb -0.03 -4.20 -0.03 0.00 -0.44 0.00 0.00 34.13 29.42 1i5h s GLU 467 CO 0.02 -1.36 0.01 1.03 0.95 0.00 0.00 175.26 175.91 1i5h s ARG 468 N 2.43 2.96 -0.04 -4.83 1.81 -1.01 -4.95 118.95 115.32 1i5h s ARG 468 Ca 0.11 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.37 1i5h s ARG 468 Cb -0.23 -2.78 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1i5h s ARG 468 CO 0.08 0.68 1.00 0.95 -0.68 0.00 0.00 175.30 177.33 1i5h s THR 469 N -0.96 4.81 0.73 0.02 -4.23 -1.26 -0.59 115.64 114.16 1i5h s THR 469 Ca 0.15 2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 62.58 1i5h s THR 469 Cb -0.11 -4.30 0.03 0.00 1.34 0.00 0.00 72.50 69.45 1i5h s THR 469 CO 0.05 0.10 1.09 -2.28 -0.54 0.00 0.00 174.62 173.04 1i5h s HIS 470 N 1.39 3.18 0.59 3.99 2.46 0.41 -4.90 115.29 122.41 1i5h s HIS 470 Ca 0.51 1.12 0.29 0.00 0.47 0.00 0.00 55.06 57.44 1i5h s HIS 470 Cb -0.20 -3.05 1.70 0.00 -0.13 0.00 0.00 32.58 30.90 1i5h s HIS 470 CO 0.24 -1.33 2.16 1.15 -2.47 0.00 0.00 174.74 174.49 1i5h h THR 471 N -0.76 0.51 -0.01 0.89 2.02 -1.96 0.15 112.91 113.74 1i5h h THR 471 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1i5h h THR 471 Cb 1.25 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1i5h h THR 471 CO 0.62 0.00 -0.20 0.47 0.37 0.00 0.00 175.52 176.78 1i5h n ASP 472 N -3.84 1.07 0.00 4.18 8.00 -1.26 -4.93 116.55 119.77 1i5h n ASP 472 Ca -0.00 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1i5h n ASP 472 Cb 0.23 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.31 2.88 3.67 0.44 0.00 0.51 -5.05 105.19 108.95 1i5h n GLY 473 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.88 4.30 -0.41 1.61 0.52 -1.26 -4.52 118.95 118.31 1i5h s ARG 474 Ca 0.00 1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 56.44 1i5h s ARG 474 Cb 0.00 -3.64 0.02 0.00 0.52 0.00 0.00 34.95 31.85 1i5h s ARG 474 CO 0.00 -0.56 1.19 0.54 0.02 0.00 0.00 175.30 176.49 1i5h s VAL 475 N 2.88 4.21 0.69 3.52 0.11 -1.26 -0.45 120.40 130.10 1i5h s VAL 475 Ca 0.50 1.29 -0.02 0.00 -2.93 0.00 0.00 61.98 60.82 1i5h s VAL 475 Cb -0.20 -4.44 0.10 0.00 -1.53 0.00 0.00 36.38 30.31 1i5h s VAL 475 CO 0.14 -0.79 0.96 0.72 -3.33 0.00 0.00 175.10 172.80 1i5h s PHE 476 N 4.45 2.06 0.05 1.54 -0.12 0.25 -4.85 117.98 121.36 1i5h s PHE 476 Ca 0.51 -0.09 0.03 0.00 -0.05 0.00 0.00 56.93 57.33 1i5h s PHE 476 Cb -0.10 -3.03 -0.04 0.00 -0.63 0.00 0.00 43.02 39.22 1i5h s PHE 476 CO 0.27 -1.52 0.03 -0.06 -0.05 0.00 0.00 175.22 173.89 1i5h s PHE 477 N -3.11 3.09 -0.11 3.49 0.40 -1.07 -2.41 117.98 118.26 1i5h s PHE 477 Ca 0.64 0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1i5h s PHE 477 Cb -0.07 -1.62 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1i5h s PHE 477 CO 0.43 0.49 0.25 -1.50 0.70 0.00 0.00 175.22 175.60 1i5h s ILE 478 N -1.25 -0.04 0.27 0.64 2.07 -0.90 -0.91 121.20 121.08 1i5h s ILE 478 Ca 0.24 0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1i5h s ILE 478 Cb -0.12 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1i5h s ILE 478 CO 0.16 0.05 0.46 0.54 -1.91 0.00 0.00 174.94 174.25 1i5h s ASN 479 N 1.17 6.36 -0.02 4.50 4.22 -0.65 -0.09 114.94 130.42 1i5h s ASN 479 Ca -0.08 0.42 0.18 0.00 -2.14 0.00 0.00 52.86 51.23 1i5h s ASN 479 Cb -0.10 -2.02 -0.26 0.00 1.28 0.00 0.00 41.25 40.16 1i5h s ASN 479 CO -0.08 -0.15 0.45 1.41 -2.04 0.00 0.00 177.10 176.69 1i5h n HIS 480 N -1.15 0.00 -0.12 1.54 8.25 0.14 -2.73 115.22 121.14 1i5h n HIS 480 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 1i5h n HIS 480 Cb 0.55 -0.33 0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.62 0.00 0.41 2.35 -1.94 -3.22 115.58 112.57 1i5h h ASN 481 Ca 0.00 0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1i5h h ASN 481 Cb 0.73 0.35 -0.14 0.00 0.05 0.00 0.00 38.32 39.30 1i5h h ASN 481 CO 0.00 -0.21 -0.63 2.30 -1.65 0.00 0.00 177.43 177.24 1i5h n ILE 482 N -5.37 0.60 -3.23 2.81 -5.35 -1.26 -5.06 119.36 102.51 1i5h n ILE 482 Ca 0.03 -1.18 -0.14 0.00 -0.27 0.00 0.00 62.75 61.19 1i5h n ILE 482 Cb 0.28 0.47 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 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 -0.19 -1.32 -3.67 6.28 4.01 -1.19 -5.01 118.16 117.07 1i5h n LYS 483 Ca 0.07 1.30 -0.10 0.00 -0.51 0.00 0.00 58.31 59.08 1i5h n LYS 483 Cb 0.85 -2.13 -0.10 0.00 -0.51 0.00 0.00 35.03 33.14 1i5h n LYS 483 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1i5h s LYS 484 N -1.67 0.31 0.25 1.97 1.02 -1.11 -4.98 119.74 115.53 1i5h s LYS 484 Ca 0.15 0.92 -0.01 0.00 0.02 0.00 0.00 55.97 57.06 1i5h s LYS 484 Cb -0.02 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1i5h s LYS 484 CO 0.43 -0.23 0.45 -0.08 -0.92 0.00 0.00 175.35 175.00 1i5h s THR 485 N 2.27 5.16 -0.19 2.17 -1.32 -1.26 -1.64 115.64 120.83 1i5h s THR 485 Ca -0.03 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 1i5h s THR 485 Cb -0.11 -3.77 0.06 0.00 -1.51 0.00 0.00 72.50 67.17 1i5h s THR 485 CO -0.12 -0.30 0.65 0.00 -2.21 0.00 0.00 174.62 172.64 1i5h s GLN 486 N -3.63 0.83 0.15 7.08 -2.07 -0.09 -4.98 119.66 116.95 1i5h s GLN 486 Ca 0.39 0.70 -0.08 0.00 -1.82 0.00 0.00 55.36 54.55 1i5h s GLN 486 Cb -0.10 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.19 1i5h s GLN 486 CO 0.31 -0.15 1.42 -1.49 -1.32 0.00 0.00 175.29 174.06 1i5h h TRP 487 N 4.54 0.92 -4.23 9.60 4.06 -1.98 -2.84 115.95 126.01 1i5h h TRP 487 Ca -0.28 -0.35 -0.53 0.00 2.06 0.00 0.00 58.89 59.79 1i5h h TRP 487 Cb 1.16 -0.17 0.19 0.00 -1.00 0.00 0.00 29.16 29.34 1i5h h TRP 487 CO 0.40 1.14 0.29 -1.21 -3.56 0.00 0.00 178.44 175.50 1i5h s GLU 488 N -3.97 1.41 -0.53 0.49 2.02 -1.26 -4.73 118.70 112.12 1i5h s GLU 488 Ca -0.09 1.66 -0.21 0.00 0.02 0.00 0.00 54.97 56.35 1i5h s GLU 488 Cb 0.10 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.63 1i5h s GLU 488 CO 0.87 -2.36 0.75 -0.51 0.02 0.00 0.00 175.26 174.03 1i5h s ASP 489 N -2.39 6.26 0.28 -0.19 1.11 -1.26 -4.69 116.67 115.78 1i5h s ASP 489 Ca 0.70 -0.76 0.04 0.00 0.18 0.00 0.00 52.55 52.71 1i5h s ASP 489 Cb -0.26 -2.35 0.39 0.00 1.07 0.00 0.00 42.92 41.78 1i5h s ASP 489 CO 0.53 -1.05 1.69 1.55 1.18 0.00 0.00 175.17 179.07 1i5h h PRO 490 N 9.14 0.38 0.00 8.23 0.13 -1.93 -2.43 132.00 145.53 1i5h h PRO 490 Ca -0.27 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1i5h h PRO 490 Cb 1.09 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1i5h h PRO 490 CO 1.03 0.69 -0.20 0.07 -0.23 0.00 0.00 178.00 179.36 1i5h h ARG 491 N 0.33 0.00 0.00 0.86 0.11 -2.00 -3.08 114.38 110.60 1i5h h ARG 491 Ca 0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1i5h h ARG 491 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 1i5h h ARG 491 CO 0.06 0.20 -0.72 1.98 0.10 0.00 0.00 179.97 181.59 1i5h h MET 492 N 0.00 0.00 -3.45 0.08 4.05 -1.90 -3.40 114.93 110.31 1i5h h MET 492 Ca -0.00 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.93 1i5h h MET 492 Cb 0.90 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.73 1i5h h MET 492 CO 0.03 0.07 2.91 1.04 0.23 0.00 0.00 176.91 181.18 1i5h n GLN 493 N -2.87 2.45 -3.07 0.39 1.13 -0.94 -4.50 117.38 109.97 1i5h n GLN 493 Ca 0.00 -1.72 0.01 0.00 -1.94 0.00 0.00 57.00 53.36 1i5h n GLN 493 Cb 0.59 -2.61 -0.00 0.00 0.11 0.00 0.00 30.24 28.33 1i5h n GLN 493 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1i5h s ASN 494 N 3.25 -1.14 -0.43 1.08 4.22 -1.26 -5.05 114.94 115.60 1i5h s ASN 494 Ca 0.49 -0.53 0.07 0.00 -2.14 0.00 0.00 52.86 50.75 1i5h s ASN 494 Cb 0.13 1.47 0.18 0.00 1.28 0.00 0.00 41.25 44.31 1i5h s ASN 494 CO -0.03 -0.13 0.60 -0.69 -2.04 0.00 0.00 177.10 174.80 1i5h s VAL 495 N 1.96 -0.83 -0.28 3.54 1.01 -1.26 -4.71 120.40 119.82 1i5h s VAL 495 Ca 0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1i5h s VAL 495 Cb -0.02 -0.16 0.13 0.00 0.00 0.00 0.00 36.38 36.33 1i5h s VAL 495 CO -0.11 -0.15 1.05 0.00 0.00 0.00 0.00 175.10 175.89 1i5h s ALA 496 N 1.50 -2.03 0.00 5.51 0.00 -1.26 -5.06 121.76 120.42 1i5h s ALA 496 Ca 0.20 1.92 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1i5h s ALA 496 Cb -0.05 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1i5h s ALA 496 CO -0.06 -0.24 0.00 0.44 0.00 0.00 0.00 175.76 175.89 1i5h n ILE 497 N 2.40 0.00 -4.45 0.00 -5.35 -1.26 -5.12 119.36 105.58 1i5h n ILE 497 Ca -0.13 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.12 1i5h n ILE 497 Cb 0.56 -0.01 -0.16 0.00 -1.74 0.00 0.00 39.64 38.29 1i5h n ILE 497 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1i5h s THR 498 N -1.34 0.93 0.00 7.28 2.01 -1.26 -5.39 115.64 117.87 1i5h s THR 498 Ca 0.00 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1i5h s THR 498 Cb 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1i5h s THR 498 CO 0.00 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.84