#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh s THR 422 N 0.00 3.52 -0.08 2.61 2.01 -1.26 -4.87 115.64 117.57 2jwh s THR 422 Ca 0.00 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 2jwh s THR 422 Cb 0.00 -3.52 -0.27 0.00 0.01 0.00 0.00 72.50 68.72 2jwh s THR 422 CO 0.00 -0.20 0.89 0.50 -0.69 0.00 0.00 174.62 175.12 2jwh h LYS 423 N 11.15 0.17 0.00 4.92 3.11 -2.05 -3.49 116.57 130.38 2jwh h LYS 423 Ca -0.37 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.21 2jwh h LYS 423 Cb 1.18 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2jwh h LYS 423 CO 0.98 1.08 0.00 0.00 -2.81 0.00 0.00 179.45 178.71 2jwh n ALA 424 N -2.62 0.00 -1.18 5.00 0.00 -1.26 -5.02 120.51 115.44 2jwh n ALA 424 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.48 2jwh n ALA 424 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 2jwh n ALA 424 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jwh n SER 425 N -3.08 -7.01 -1.93 0.00 7.64 -1.26 -3.86 113.62 104.12 2jwh n SER 425 Ca 0.00 0.58 -0.12 0.00 1.01 0.00 0.00 58.87 60.35 2jwh n SER 425 Cb 0.00 -3.63 -0.08 0.00 -1.01 0.00 0.00 64.21 59.49 2jwh n SER 425 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jwh n LYS 426 N -3.75 1.77 -2.21 1.43 5.02 -1.26 -4.93 118.16 114.23 2jwh n LYS 426 Ca -0.00 -1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 54.85 2jwh n LYS 426 Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2jwh n LYS 426 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jwh s SER 427 N 1.51 6.87 0.00 4.39 0.01 -1.25 -5.03 113.70 120.21 2jwh s SER 427 Ca 0.43 2.34 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2jwh s SER 427 Cb 0.23 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2jwh s SER 427 CO -0.04 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2jwh n GLY 428 N 2.99 1.10 3.58 3.44 0.00 -1.26 -5.01 105.19 110.03 2jwh n GLY 428 Ca 0.09 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2jwh n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jwh s VAL 429 N 0.69 5.10 -1.22 1.61 1.01 -1.26 -4.97 120.40 121.36 2jwh s VAL 429 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 2jwh s VAL 429 Cb 0.00 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 2jwh s VAL 429 CO 0.00 -0.02 2.63 -0.81 0.00 0.00 0.00 175.10 176.89 2jwh n PRO 430 N 5.51 2.89 -1.05 2.72 -0.04 -1.26 -4.71 135.00 139.07 2jwh n PRO 430 Ca -0.07 -1.79 -0.14 0.00 -0.04 0.00 0.00 63.50 61.47 2jwh n PRO 430 Cb 0.50 -2.59 -0.16 0.00 -0.04 0.00 0.00 33.50 31.21 2jwh n PRO 430 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jwh n VAL 431 N 3.75 3.03 0.00 0.52 0.31 -1.26 -4.83 118.33 119.85 2jwh n VAL 431 Ca 0.62 -1.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.29 2jwh n VAL 431 Cb 0.23 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 2jwh n VAL 431 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2jwh n THR 432 N 2.31 0.00 -3.07 2.52 -1.04 -1.26 -4.92 114.28 108.82 2jwh n THR 432 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 2jwh n THR 432 Cb 0.88 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2jwh n THR 432 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n GLN 433 N 0.00 0.00 -0.15 -2.82 1.13 -1.26 -0.90 117.38 113.38 2jwh n GLN 433 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 2jwh n GLN 433 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 2jwh n GLN 433 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2jwh h THR 434 N 0.00 1.26 -0.21 5.09 2.02 -1.99 -2.82 112.91 116.26 2jwh h THR 434 Ca 0.00 -1.08 0.06 0.00 0.77 0.00 0.00 66.41 66.16 2jwh h THR 434 Cb 0.00 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2jwh h THR 434 CO 0.00 0.37 0.16 -0.61 0.37 0.00 0.00 175.52 175.80 2jwh h GLN 435 N 0.63 0.00 -4.87 6.66 4.15 -2.00 -3.46 115.11 116.23 2jwh h GLN 435 Ca 0.12 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.29 2jwh h GLN 435 Cb 0.52 0.00 0.14 0.00 0.21 0.00 0.00 27.48 28.35 2jwh h GLN 435 CO 0.03 0.00 -0.61 2.41 -1.93 0.00 0.00 178.83 178.72 2jwh n THR 436 N -4.38 -5.07 -1.02 2.39 -1.04 -0.08 -4.83 114.28 100.25 2jwh n THR 436 Ca 0.02 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 2jwh n THR 436 Cb 0.30 -4.64 -0.07 0.00 -1.82 0.00 0.00 70.33 64.10 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n ALA 437 N -3.37 2.90 0.00 2.41 0.00 -0.95 -3.42 120.51 118.09 2jwh n ALA 437 Ca -0.20 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.06 2jwh n ALA 437 Cb 0.63 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2jwh n ALA 437 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwh n GLY 438 N 4.59 0.00 1.91 0.00 0.00 -1.26 -4.61 105.19 105.83 2jwh n GLY 438 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 2jwh n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwh n ALA 439 N 0.00 5.00 -1.64 4.61 0.00 -1.22 -4.22 120.51 123.03 2jwh n ALA 439 Ca 0.00 -2.06 -0.32 0.00 0.00 0.00 0.00 53.44 51.06 2jwh n ALA 439 Cb 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.08 2jwh n ALA 439 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jwh s ASP 440 N -0.49 5.70 0.58 0.00 2.15 -1.26 -4.92 116.67 118.43 2jwh s ASP 440 Ca 0.39 1.75 0.32 0.00 0.43 0.00 0.00 52.55 55.44 2jwh s ASP 440 Cb 0.32 -2.52 1.79 0.00 -0.30 0.00 0.00 42.92 42.21 2jwh s ASP 440 CO 0.03 -1.22 2.21 0.00 -0.17 0.00 0.00 175.17 176.02 2jwh h THR 441 N 0.14 0.43 0.00 1.71 1.03 -1.96 0.18 112.91 114.45 2jwh h THR 441 Ca -0.46 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 2jwh h THR 441 Cb 1.22 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 69.43 2jwh h THR 441 CO 0.57 0.04 0.00 0.41 -0.01 0.00 0.00 175.52 176.53 2jwh n THR 442 N -3.63 0.84 0.00 0.00 -1.04 -1.26 -4.87 114.28 104.32 2jwh n THR 442 Ca -0.02 0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2jwh n THR 442 Cb 0.14 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 2jwh n THR 442 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n ALA 443 N -1.59 0.00 -1.64 2.41 0.00 0.64 -4.93 120.51 115.39 2jwh n ALA 443 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2jwh n ALA 443 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 2jwh n ALA 443 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jwh n GLU 444 N 0.00 2.52 0.12 0.00 -0.58 -1.26 -4.80 120.64 116.64 2jwh n GLU 444 Ca 0.00 0.87 -0.02 0.00 -0.42 0.00 0.00 57.16 57.59 2jwh n GLU 444 Cb 0.00 -3.04 0.18 0.00 -0.57 0.00 0.00 31.44 28.01 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2jwh h LYS 445 N 11.88 0.10 -0.06 3.49 1.57 -1.88 -3.02 116.57 128.65 2jwh h LYS 445 Ca -0.47 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.10 2jwh h LYS 445 Cb 1.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2jwh h LYS 445 CO 0.95 0.64 -0.62 0.00 -0.57 0.00 0.00 179.45 179.84 2jwh n LYS 447 N -3.86 2.29 0.00 0.00 4.81 -0.63 -2.13 118.16 118.63 2jwh n LYS 447 Ca -0.02 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2jwh n LYS 447 Cb 0.63 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2jwh n LYS 447 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jwh n GLY 448 N 2.61 2.81 3.76 3.14 0.00 -1.26 -4.90 105.19 111.35 2jwh n GLY 448 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2jwh n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwh s LYS 449 N -0.13 3.74 0.79 1.61 1.02 -0.91 -4.92 119.74 120.94 2jwh s LYS 449 Ca 0.00 2.12 -0.11 0.00 0.02 0.00 0.00 55.97 58.00 2jwh s LYS 449 Cb 0.00 -2.58 0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2jwh s LYS 449 CO 0.00 -0.67 1.09 0.20 -0.92 0.00 0.00 175.35 175.04 2jwh s GLY 450 N -0.89 1.64 0.20 -3.33 0.00 -1.26 -3.85 107.32 99.84 2jwh s GLY 450 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 44.72 45.23 2jwh s GLY 450 CO 0.46 0.39 1.87 -2.09 0.00 0.00 0.00 173.10 173.74 2jwh h GLU 451 N -1.11 0.93 -0.41 2.90 4.22 -1.95 0.85 114.58 120.02 2jwh h GLU 451 Ca -0.46 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 58.84 2jwh h GLU 451 Cb 1.25 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2jwh h GLU 451 CO 0.56 0.62 -0.08 0.87 -2.18 0.00 0.00 179.01 178.80 2jwh h LYS 452 N 0.96 0.70 -0.02 1.92 1.57 -2.04 -3.10 116.57 116.56 2jwh h LYS 452 Ca 0.27 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2jwh h LYS 452 Cb -0.09 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.16 2jwh h LYS 452 CO -0.07 0.77 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.73 2jwh h ASP 453 N 0.65 0.41 -2.09 0.86 5.19 -1.73 -3.45 116.42 116.26 2jwh h ASP 453 Ca 0.12 -0.73 -0.59 0.00 -0.62 0.00 0.00 57.03 55.20 2jwh h ASP 453 Cb 0.52 -0.12 0.02 0.00 0.18 0.00 0.00 39.33 39.92 2jwh h ASP 453 CO 0.03 1.09 1.18 0.00 -3.12 0.00 0.00 179.24 178.41 2jwh s LYS 455 N 4.43 3.65 0.11 0.00 2.47 -1.26 -4.90 119.74 124.24 2jwh s LYS 455 Ca 0.93 0.43 -0.21 0.00 -1.56 0.00 0.00 55.97 55.56 2jwh s LYS 455 Cb -0.60 -3.93 -0.09 0.00 -1.46 0.00 0.00 37.83 31.75 2jwh s LYS 455 CO 0.48 -1.40 1.77 0.77 0.16 0.00 0.00 175.35 177.12 2jwh h SER 456 N 9.25 0.15 -0.90 1.43 0.02 -1.92 0.58 113.55 122.17 2jwh h SER 456 Ca -0.23 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2jwh h SER 456 Cb 1.06 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 2jwh h SER 456 CO 1.12 0.11 0.59 1.55 -1.14 0.00 0.00 176.83 179.06 2jwh h PRO 457 N 0.18 1.06 0.02 3.45 0.13 -2.01 -3.07 132.00 131.76 2jwh h PRO 457 Ca 0.05 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 2jwh h PRO 457 Cb -0.02 -0.24 0.01 0.00 0.13 0.00 0.00 31.00 30.88 2jwh h PRO 457 CO -0.01 0.70 -0.24 0.22 -0.23 0.00 0.00 178.00 178.44 2jwh h ASP 458 N 1.09 0.18 -3.64 1.44 1.82 -1.91 -3.45 116.42 111.96 2jwh h ASP 458 Ca 0.37 -0.85 -0.54 0.00 -0.39 0.00 0.00 57.03 55.62 2jwh h ASP 458 Cb 0.08 -0.06 -0.32 0.00 0.68 0.00 0.00 39.33 39.71 2jwh h ASP 458 CO -0.12 1.01 -0.83 0.00 -1.61 0.00 0.00 179.24 177.69 2jwh s LYS 460 N 0.34 4.58 -0.18 0.00 -0.14 -1.14 -3.67 119.74 119.54 2jwh s LYS 460 Ca -0.10 1.43 -0.27 0.00 -1.36 0.00 0.00 55.97 55.67 2jwh s LYS 460 Cb -0.14 -3.45 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2jwh s LYS 460 CO 0.03 -0.00 0.93 -0.46 -0.76 0.00 0.00 175.35 175.09 2jwh s TRP 461 N 0.83 3.40 -0.28 3.18 -0.11 -1.26 0.07 118.94 124.77 2jwh s TRP 461 Ca 0.51 1.37 -0.23 0.00 1.22 0.00 0.00 56.10 58.97 2jwh s TRP 461 Cb -0.21 -3.13 0.11 0.00 -1.50 0.00 0.00 33.47 28.74 2jwh s TRP 461 CO 0.28 -0.33 0.95 -2.00 -4.62 0.00 0.00 176.95 171.24 2jwh s GLU 462 N 2.52 0.55 -0.76 5.86 2.56 -0.52 -4.95 118.70 123.95 2jwh s GLU 462 Ca 0.42 0.71 -0.03 0.00 0.00 0.00 0.00 54.97 56.07 2jwh s GLU 462 Cb -0.16 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.21 2jwh s GLU 462 CO 0.11 -0.08 0.43 0.41 -0.56 0.00 0.00 175.26 175.57 2jwh n GLY 463 N 2.68 0.11 3.00 -1.50 0.00 -1.26 -3.12 105.19 105.10 2jwh n GLY 463 Ca -0.14 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2jwh n GLY 463 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwh n GLY 464 N -1.20 -0.52 3.52 -0.02 0.00 -1.26 -4.95 105.19 100.77 2jwh n GLY 464 Ca -0.03 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2jwh n GLY 464 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jwh s THR 465 N -3.12 0.00 -0.22 2.61 -1.32 -1.18 -5.01 115.64 107.40 2jwh s THR 465 Ca 0.28 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.49 2jwh s THR 465 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2jwh s THR 465 CO 0.35 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.69 2jwh s LYS 467 N 2.86 3.91 0.00 0.00 -0.14 0.11 -1.61 119.74 124.87 2jwh s LYS 467 Ca 0.40 0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 2jwh s LYS 467 Cb -0.15 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 2jwh s LYS 467 CO 0.08 0.43 0.45 -3.47 -0.76 0.00 0.00 175.35 172.08