#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 3.43 0.09 1.61 1.04 -1.26 -5.06 113.70 113.55 1i5h s SER 451 Ca 0.00 -1.03 -0.23 0.00 0.48 0.00 0.00 55.95 55.16 1i5h s SER 451 Cb 0.00 -0.28 -0.14 0.00 0.10 0.00 0.00 66.02 65.71 1i5h s SER 451 CO 0.00 0.00 1.73 -0.65 0.98 0.00 0.00 173.24 175.30 1i5h h PRO 452 N 2.31 -0.05 -6.10 4.02 0.11 -2.07 -3.41 132.00 126.81 1i5h h PRO 452 Ca -0.40 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.14 1i5h h PRO 452 Cb 1.25 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1i5h h PRO 452 CO 0.61 -0.03 0.80 0.54 -0.21 0.00 0.00 178.00 179.71 1i5h s VAL 453 N -6.18 4.63 -0.13 3.15 0.11 -1.26 -4.48 120.40 116.23 1i5h s VAL 453 Ca -0.13 1.96 -0.04 0.00 -2.93 0.00 0.00 61.98 60.84 1i5h s VAL 453 Cb 0.06 -4.27 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1i5h s VAL 453 CO 0.66 -0.16 0.08 0.47 -3.33 0.00 0.00 175.10 172.82 1i5h n ASP 454 N 6.29 -2.78 0.00 3.54 8.00 -1.26 -5.10 116.55 125.24 1i5h n ASP 454 Ca 0.12 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1i5h n ASP 454 Cb 0.46 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 1i5h n ASP 454 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i5h n SER 455 N 0.71 0.00 -3.09 -2.24 3.41 -1.26 -4.64 113.62 106.50 1i5h n SER 455 Ca -0.14 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1i5h n SER 455 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1i5h n SER 455 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i5h s ASN 456 N 2.00 -0.71 -1.23 4.04 0.01 -1.26 -5.06 114.94 112.73 1i5h s ASN 456 Ca 0.00 -0.01 -0.09 0.00 -0.71 0.00 0.00 52.86 52.05 1i5h s ASN 456 Cb 0.00 1.32 0.20 0.00 0.41 0.00 0.00 41.25 43.18 1i5h s ASN 456 CO 0.00 -0.12 1.74 0.47 -1.51 0.00 0.00 177.10 177.68 1i5h n ASP 457 N 4.90 5.37 0.09 -1.22 9.92 -1.26 -4.68 116.55 129.67 1i5h n ASP 457 Ca 0.08 -3.15 -0.24 0.00 -0.53 0.00 0.00 54.79 50.95 1i5h n ASP 457 Cb 0.58 -1.45 -0.15 0.00 -0.64 0.00 0.00 41.12 39.46 1i5h n ASP 457 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1i5h h LEU 458 N 7.56 0.68 0.00 0.64 8.10 -1.94 -3.48 115.31 126.86 1i5h h LEU 458 Ca 0.35 -0.93 0.00 0.00 0.11 0.00 0.00 57.88 57.40 1i5h h LEU 458 Cb 0.66 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1i5h h LEU 458 CO 1.52 1.76 0.00 0.61 -4.11 0.00 0.00 178.44 178.22 1i5h n GLY 459 N 1.82 1.53 2.70 0.17 0.00 -1.26 -3.87 105.19 106.28 1i5h n GLY 459 Ca -0.22 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 0.98 2.89 -1.38 1.61 -0.04 -1.26 -4.90 135.00 132.90 1i5h n PRO 460 Ca 0.00 -2.55 0.19 0.00 -0.04 0.00 0.00 63.50 61.09 1i5h n PRO 460 Cb 0.00 -3.24 -0.05 0.00 -0.04 0.00 0.00 33.50 30.17 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 5.92 -0.70 -4.84 1.53 4.77 -1.25 -4.87 117.00 117.55 1i5h n LEU 461 Ca 0.54 1.55 -0.29 0.00 -0.03 0.00 0.00 56.01 57.78 1i5h n LEU 461 Cb 0.38 -4.20 0.13 0.00 -2.33 0.00 0.00 43.42 37.39 1i5h n LEU 461 CO 0.90 -3.59 0.76 -2.16 -1.33 0.00 0.00 177.39 171.97 1i5h s PRO 462 N -2.34 1.31 0.24 3.23 0.05 -1.26 -4.82 135.00 131.41 1i5h s PRO 462 Ca 0.00 0.11 -0.30 0.00 0.05 0.00 0.00 61.00 60.86 1i5h s PRO 462 Cb 0.00 -1.87 -0.10 0.00 0.05 0.00 0.00 34.50 32.58 1i5h s PRO 462 CO 0.00 -2.05 1.44 -1.25 0.05 0.00 0.00 177.00 175.19 1i5h s PRO 463 N -5.48 4.27 0.00 0.56 0.04 -1.26 -2.36 135.00 130.77 1i5h s PRO 463 Ca 0.65 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.98 1i5h s PRO 463 Cb -0.12 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1i5h s PRO 463 CO 0.52 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1i5h n GLY 464 N 2.27 1.21 3.97 0.56 0.00 -1.26 -4.85 105.19 107.09 1i5h n GLY 464 Ca 0.07 0.00 -0.21 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 -3.45 2.97 -0.16 1.61 0.52 -0.99 0.74 118.94 120.17 1i5h s TRP 465 Ca 0.00 0.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.01 1i5h s TRP 465 Cb 0.00 -2.61 0.04 0.00 -1.15 0.00 0.00 33.47 29.76 1i5h s TRP 465 CO 0.00 -0.70 0.45 -1.21 0.02 0.00 0.00 176.95 175.50 1i5h s GLU 466 N -4.68 0.54 -0.57 4.98 0.41 0.74 -4.89 118.70 115.23 1i5h s GLU 466 Ca 0.54 0.57 -0.20 0.00 -0.41 0.00 0.00 54.97 55.47 1i5h s GLU 466 Cb -0.10 0.26 0.08 0.00 -1.78 0.00 0.00 34.13 32.59 1i5h s GLU 466 CO 0.38 -0.08 0.72 -1.83 -0.49 0.00 0.00 175.26 173.97 1i5h s GLU 467 N 0.11 3.10 -0.03 1.61 -1.05 -1.26 -2.02 118.70 119.16 1i5h s GLU 467 Ca -0.01 -1.03 -0.01 0.00 -0.15 0.00 0.00 54.97 53.77 1i5h s GLU 467 Cb -0.03 -4.18 -0.04 0.00 -0.44 0.00 0.00 34.13 29.44 1i5h s GLU 467 CO 0.01 -1.45 0.07 1.03 0.95 0.00 0.00 175.26 175.86 1i5h s ARG 468 N 2.93 3.06 -0.13 -4.83 1.81 -1.07 -4.95 118.95 115.76 1i5h s ARG 468 Ca 0.15 -0.45 -0.22 0.00 -1.72 0.00 0.00 55.73 53.49 1i5h s ARG 468 Cb -0.21 -2.86 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 1i5h s ARG 468 CO 0.10 0.67 0.66 0.95 -0.68 0.00 0.00 175.30 176.99 1i5h s THR 469 N -1.12 5.04 0.72 0.02 -4.23 -1.26 -0.43 115.64 114.38 1i5h s THR 469 Ca 0.20 1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 61.90 1i5h s THR 469 Cb -0.12 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.76 1i5h s THR 469 CO 0.11 0.18 1.08 -2.28 -0.54 0.00 0.00 174.62 173.18 1i5h s HIS 470 N 1.34 3.18 0.62 3.99 2.46 -0.29 -4.89 115.29 121.70 1i5h s HIS 470 Ca 0.33 1.16 0.32 0.00 0.47 0.00 0.00 55.06 57.34 1i5h s HIS 470 Cb -0.16 -3.02 1.82 0.00 -0.13 0.00 0.00 32.58 31.09 1i5h s HIS 470 CO 0.13 -1.31 2.14 1.15 -2.47 0.00 0.00 174.74 174.39 1i5h h THR 471 N -0.75 0.32 0.00 0.89 2.02 -1.97 0.20 112.91 113.62 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 1.24 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1i5h h THR 471 CO 0.61 0.00 -0.56 0.47 0.37 0.00 0.00 175.52 176.41 1i5h n ASP 472 N -3.54 0.60 0.00 4.18 8.00 -1.26 -4.94 116.55 119.59 1i5h n ASP 472 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1i5h n ASP 472 Cb 0.26 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.40 2.56 3.66 0.44 0.00 0.72 -5.06 105.19 108.90 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 -0.54 4.22 -0.42 1.61 0.52 -1.26 -4.54 118.95 118.55 1i5h s ARG 474 Ca 0.00 1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 56.49 1i5h s ARG 474 Cb 0.00 -3.74 0.02 0.00 0.52 0.00 0.00 34.95 31.75 1i5h s ARG 474 CO 0.00 -0.71 1.15 0.54 0.02 0.00 0.00 175.30 176.31 1i5h s VAL 475 N 3.46 4.25 0.36 3.52 0.11 -1.26 -1.14 120.40 129.71 1i5h s VAL 475 Ca 0.52 1.33 -0.02 0.00 -2.93 0.00 0.00 61.98 60.89 1i5h s VAL 475 Cb -0.20 -4.50 0.07 0.00 -1.53 0.00 0.00 36.38 30.23 1i5h s VAL 475 CO 0.13 -0.83 0.49 2.22 -3.33 0.00 0.00 175.10 173.78 1i5h n PHE 476 N 7.67 -3.35 -4.35 1.54 -1.74 0.43 -4.84 117.46 112.81 1i5h n PHE 476 Ca 0.13 -0.75 -0.30 0.00 -0.56 0.00 0.00 57.45 55.96 1i5h n PHE 476 Cb 0.48 -0.37 -0.11 0.00 1.52 0.00 0.00 39.48 41.00 1i5h n PHE 476 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1i5h s PHE 477 N -1.52 2.59 -0.14 2.97 0.40 -1.07 -2.61 117.98 118.59 1i5h s PHE 477 Ca 0.31 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.35 1i5h s PHE 477 Cb -0.02 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.19 1i5h s PHE 477 CO 0.21 0.37 0.30 -1.50 0.70 0.00 0.00 175.22 175.31 1i5h s ILE 478 N -1.12 -0.29 0.24 0.64 2.07 -0.86 -1.37 121.20 120.52 1i5h s ILE 478 Ca 0.18 0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1i5h s ILE 478 Cb -0.11 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.95 1i5h s ILE 478 CO 0.10 0.08 0.46 0.54 -1.91 0.00 0.00 174.94 174.21 1i5h s ASN 479 N 1.97 6.40 -0.01 4.50 4.22 0.87 -0.19 114.94 132.70 1i5h s ASN 479 Ca -0.04 0.51 0.16 0.00 -2.14 0.00 0.00 52.86 51.35 1i5h s ASN 479 Cb -0.11 -2.06 -0.20 0.00 1.28 0.00 0.00 41.25 40.16 1i5h s ASN 479 CO -0.10 -0.11 0.60 1.41 -2.04 0.00 0.00 177.10 176.86 1i5h n HIS 480 N -0.83 0.00 -0.11 1.54 8.25 0.23 -2.16 115.22 122.13 1i5h n HIS 480 Ca -0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.37 1i5h n HIS 480 Cb 0.54 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.14 0.00 0.41 2.35 -1.92 -3.19 115.58 113.10 1i5h h ASN 481 Ca 0.00 0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1i5h h ASN 481 Cb 0.49 0.15 -0.17 0.00 0.05 0.00 0.00 38.32 38.84 1i5h h ASN 481 CO 0.00 -0.03 -0.69 2.30 -1.65 0.00 0.00 177.43 177.35 1i5h n ILE 482 N -5.18 1.04 -3.43 2.81 -5.35 -1.26 -5.05 119.36 102.95 1i5h n ILE 482 Ca 0.02 -1.92 -0.33 0.00 -0.27 0.00 0.00 62.75 60.25 1i5h n ILE 482 Cb 0.20 0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.49 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 -0.35 -1.78 -3.90 6.28 4.76 -1.21 -5.00 118.16 116.96 1i5h n LYS 483 Ca 0.12 1.40 -0.09 0.00 -2.87 0.00 0.00 58.31 56.86 1i5h n LYS 483 Cb 0.88 -2.15 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 1i5h n LYS 483 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i5h s LYS 484 N -2.28 1.29 0.11 1.97 2.20 -0.92 -5.01 119.74 117.09 1i5h s LYS 484 Ca 0.33 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 1i5h s LYS 484 Cb -0.04 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1i5h s LYS 484 CO 0.77 -0.51 0.13 -0.08 -0.36 0.00 0.00 175.35 175.30 1i5h s THR 485 N -3.95 0.13 -0.14 3.43 -1.32 -1.26 -0.09 115.64 112.44 1i5h s THR 485 Ca 0.16 -1.55 -0.26 0.00 -1.21 0.00 0.00 61.69 58.82 1i5h s THR 485 Cb 0.01 -1.67 0.06 0.00 -1.51 0.00 0.00 72.50 69.40 1i5h s THR 485 CO 0.01 -0.61 0.65 0.00 -2.21 0.00 0.00 174.62 172.46 1i5h s GLN 486 N -3.94 0.91 0.25 7.08 -2.07 -0.47 -4.98 119.66 116.43 1i5h s GLN 486 Ca 0.13 0.54 0.06 0.00 -1.82 0.00 0.00 55.36 54.28 1i5h s GLN 486 Cb 0.06 0.43 0.30 0.00 -1.09 0.00 0.00 33.01 32.71 1i5h s GLN 486 CO -0.05 -0.21 1.59 -1.49 -1.32 0.00 0.00 175.29 173.80 1i5h h TRP 487 N 4.02 0.22 -3.05 9.60 4.06 -1.98 -2.83 115.95 125.99 1i5h h TRP 487 Ca -0.28 -0.08 -0.38 0.00 2.06 0.00 0.00 58.89 60.21 1i5h h TRP 487 Cb 1.15 -0.04 0.22 0.00 -1.00 0.00 0.00 29.16 29.49 1i5h h TRP 487 CO 0.39 0.72 -0.11 -2.00 -3.56 0.00 0.00 178.44 173.88 1i5h s GLU 488 N -3.75 -2.97 -0.34 0.49 -6.30 -1.26 -4.76 118.70 99.81 1i5h s GLU 488 Ca -0.03 0.11 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 1i5h s GLU 488 Cb 0.12 -1.37 0.09 0.00 0.00 0.00 0.00 34.13 32.96 1i5h s GLU 488 CO 0.79 -4.90 0.07 -0.51 0.02 0.00 0.00 175.26 170.73 1i5h s ASP 489 N -3.19 4.91 0.23 -1.70 1.11 -1.26 -4.59 116.67 112.18 1i5h s ASP 489 Ca 0.69 -1.82 0.06 0.00 0.18 0.00 0.00 52.55 51.65 1i5h s ASP 489 Cb -0.13 -1.70 0.21 0.00 1.07 0.00 0.00 42.92 42.37 1i5h s ASP 489 CO 0.58 -0.38 1.53 1.55 1.18 0.00 0.00 175.17 179.62 1i5h h PRO 490 N 7.86 0.16 0.00 8.23 0.13 -1.94 -2.54 132.00 143.90 1i5h h PRO 490 Ca -0.13 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1i5h h PRO 490 Cb 1.04 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1i5h h PRO 490 CO 0.57 0.77 -0.39 0.07 -0.23 0.00 0.00 178.00 178.79 1i5h h ARG 491 N 0.11 0.00 0.00 0.86 0.11 -1.93 -3.08 114.38 110.46 1i5h h ARG 491 Ca -0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 1i5h h ARG 491 Cb 1.20 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 1i5h h ARG 491 CO 0.10 0.39 -0.97 1.98 0.10 0.00 0.00 179.97 181.57 1i5h h MET 492 N 0.00 0.00 -2.32 0.08 4.05 -1.96 -3.39 114.93 111.39 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 1.02 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.40 1i5h h MET 492 CO 0.05 0.35 -0.63 0.94 0.23 0.00 0.00 176.91 177.85 1i5h n GLN 493 N -3.02 2.25 0.00 0.39 -0.06 -0.96 -4.95 117.38 111.02 1i5h n GLN 493 Ca -0.04 -4.51 0.00 0.00 -2.00 0.00 0.00 57.00 50.45 1i5h n GLN 493 Cb 0.77 -2.17 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 1i5h n GLN 493 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1i5h n ASN 494 N 1.09 0.00 -3.93 1.69 3.02 -1.22 -4.80 115.26 111.11 1i5h n ASN 494 Ca 0.28 0.17 -0.31 0.00 -0.03 0.00 0.00 54.58 54.69 1i5h n ASN 494 Cb 0.41 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.45 1i5h n ASN 494 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1i5h n VAL 495 N -0.79 -0.51 0.00 2.41 3.14 -1.26 -4.07 118.33 117.25 1i5h n VAL 495 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1i5h n VAL 495 Cb 0.00 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1i5h n VAL 495 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i5h n ALA 496 N -3.84 0.00 0.00 1.55 0.00 -1.26 -4.86 120.51 112.10 1i5h n ALA 496 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1i5h n ALA 496 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1i5h n ALA 496 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i5h n ILE 497 N -1.65 0.00 -3.05 0.00 5.41 -1.26 -4.70 119.36 114.11 1i5h n ILE 497 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1i5h n ILE 497 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1i5h n ILE 497 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1i5h s THR 498 N 0.00 4.79 0.00 1.39 -4.23 -1.26 -5.17 115.64 111.16 1i5h s THR 498 Ca 0.00 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1i5h s THR 498 Cb 0.00 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.65 1i5h s THR 498 CO 0.00 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.19