#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh n THR 422 N 0.00 0.00 -0.86 2.61 -2.24 -1.26 -5.06 114.28 107.47 2jwh n THR 422 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jwh n THR 422 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jwh n THR 422 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jwh n LYS 423 N 0.00 -2.46 0.26 -0.78 5.02 -1.26 -4.75 118.16 114.19 2jwh n LYS 423 Ca 0.00 1.83 0.16 0.00 -2.02 0.00 0.00 58.31 58.27 2jwh n LYS 423 Cb 0.00 -2.05 0.53 0.00 -0.02 0.00 0.00 35.03 33.48 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jwh h ALA 424 N 0.95 1.00 0.00 7.82 0.00 -2.08 -3.31 119.26 123.64 2jwh h ALA 424 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jwh h ALA 424 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jwh h ALA 424 CO 0.00 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2jwh n SER 425 N -3.10 3.92 -4.72 0.00 3.41 -1.26 -4.82 113.62 107.05 2jwh n SER 425 Ca 0.02 -2.03 -0.37 0.00 -0.26 0.00 0.00 58.87 56.22 2jwh n SER 425 Cb 0.38 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 2jwh n SER 425 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jwh s LYS 426 N 0.35 4.29 -0.31 4.33 1.02 -1.25 -5.05 119.74 123.13 2jwh s LYS 426 Ca 0.00 0.29 -0.21 0.00 0.02 0.00 0.00 55.97 56.07 2jwh s LYS 426 Cb 0.00 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2jwh s LYS 426 CO 0.00 0.16 0.65 0.45 -0.92 0.00 0.00 175.35 175.69 2jwh s SER 427 N 0.62 6.52 -0.06 2.83 0.15 -1.26 -4.93 113.70 117.56 2jwh s SER 427 Ca 0.22 0.45 -0.24 0.00 0.70 0.00 0.00 55.95 57.07 2jwh s SER 427 Cb -0.14 -2.34 -0.25 0.00 -1.71 0.00 0.00 66.02 61.57 2jwh s SER 427 CO 0.08 -0.50 0.97 1.23 1.20 0.00 0.00 173.24 176.21 2jwh h GLY 428 N 9.21 0.22 -4.31 9.45 0.00 -1.98 -3.44 103.07 112.22 2jwh h GLY 428 Ca -0.26 -0.42 -0.53 0.00 0.00 0.00 0.00 47.33 46.11 2jwh h GLY 428 CO 0.82 0.37 0.49 0.14 0.00 0.00 0.00 176.54 178.36 2jwh s VAL 429 N -2.87 4.13 -0.92 4.60 1.01 -1.26 -4.91 120.40 120.18 2jwh s VAL 429 Ca -0.16 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.37 2jwh s VAL 429 Cb 0.01 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2jwh s VAL 429 CO 0.76 0.19 2.09 -2.65 0.00 0.00 0.00 175.10 175.49 2jwh n PRO 430 N 3.31 2.01 -0.60 2.72 -0.02 -1.26 -4.77 135.00 136.39 2jwh n PRO 430 Ca 0.06 -1.60 -0.07 0.00 -2.02 0.00 0.00 63.50 59.87 2jwh n PRO 430 Cb 0.47 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 2jwh n PRO 430 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2jwh n VAL 431 N 4.64 1.83 -2.60 -1.45 0.24 -1.26 -4.88 118.33 114.85 2jwh n VAL 431 Ca 0.47 -0.87 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 2jwh n VAL 431 Cb 0.20 -1.75 -0.04 0.00 -1.47 0.00 0.00 33.84 30.78 2jwh n VAL 431 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2jwh s THR 432 N 1.59 4.07 0.27 3.34 -1.32 -1.26 -4.78 115.64 117.54 2jwh s THR 432 Ca 0.37 1.79 0.00 0.00 -1.21 0.00 0.00 61.69 62.64 2jwh s THR 432 Cb 0.18 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 2jwh s THR 432 CO 0.00 0.31 0.00 0.00 -2.21 0.00 0.00 174.62 172.72 2jwh n GLN 433 N 2.39 -2.13 -0.87 7.08 6.02 -1.26 -4.37 117.38 124.24 2jwh n GLN 433 Ca 0.02 1.61 -0.14 0.00 -0.01 0.00 0.00 57.00 58.48 2jwh n GLN 433 Cb 0.47 -1.89 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 2jwh n GLN 433 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jwh n THR 434 N -1.40 2.66 -2.12 5.09 -2.24 -1.26 -3.36 114.28 111.64 2jwh n THR 434 Ca 0.00 -1.39 -0.04 0.00 -2.27 0.00 0.00 64.05 60.35 2jwh n THR 434 Cb 0.10 -2.00 -0.01 0.00 -2.10 0.00 0.00 70.33 66.32 2jwh n THR 434 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwh n GLN 435 N 2.81 0.33 -2.76 -0.78 10.64 -1.26 -5.12 117.38 121.24 2jwh n GLN 435 Ca 0.41 -0.84 -0.42 0.00 -1.83 0.00 0.00 57.00 54.31 2jwh n GLN 435 Cb 0.65 0.45 -0.03 0.00 -0.86 0.00 0.00 30.24 30.45 2jwh n GLN 435 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2jwh s THR 436 N 0.03 4.85 0.00 -0.39 2.01 -1.21 -4.70 115.64 116.22 2jwh s THR 436 Ca 0.02 1.92 0.00 0.00 0.31 0.00 0.00 61.69 63.94 2jwh s THR 436 Cb 0.11 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2jwh s THR 436 CO -0.03 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 2jwh n ALA 437 N 4.67 0.00 -2.99 7.40 0.00 -1.26 -5.03 120.51 123.29 2jwh n ALA 437 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2jwh n ALA 437 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.12 0.03 1.13 0.00 0.00 -1.26 -4.88 105.19 99.11 2jwh n GLY 438 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.42 1.25 -2.40 4.61 0.00 -1.26 -5.08 120.51 114.20 2jwh n ALA 439 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2jwh n ALA 439 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2jwh n ALA 439 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jwh s ASP 440 N -2.81 6.87 0.31 0.00 1.01 -1.26 -4.89 116.67 115.90 2jwh s ASP 440 Ca 0.00 1.62 0.06 0.00 0.71 0.00 0.00 52.55 54.94 2jwh s ASP 440 Cb 0.00 -2.54 0.51 0.00 1.01 0.00 0.00 42.92 41.91 2jwh s ASP 440 CO 0.00 -0.84 1.75 0.71 0.21 0.00 0.00 175.17 177.01 2jwh h THR 441 N 5.60 1.27 -2.97 -1.27 1.35 -2.02 -3.43 112.91 111.44 2jwh h THR 441 Ca -0.27 -1.29 -0.18 0.00 -0.55 0.00 0.00 66.41 64.12 2jwh h THR 441 Cb 1.10 1.49 -0.29 0.00 -1.73 0.00 0.00 68.15 68.73 2jwh h THR 441 CO 0.98 0.39 -0.45 0.28 -0.25 0.00 0.00 175.52 176.48 2jwh s THR 442 N -4.37 -0.03 -0.11 6.82 -1.32 -1.26 -5.04 115.64 110.33 2jwh s THR 442 Ca -0.05 0.13 -0.04 0.00 -1.21 0.00 0.00 61.69 60.51 2jwh s THR 442 Cb 0.14 -0.41 -0.11 0.00 -1.51 0.00 0.00 72.50 70.60 2jwh s THR 442 CO 0.77 0.05 3.01 0.00 -2.21 0.00 0.00 174.62 176.24 2jwh n ALA 443 N 4.11 5.81 -3.68 11.08 0.00 -1.26 -4.69 120.51 131.88 2jwh n ALA 443 Ca -0.24 -1.67 -0.23 0.00 0.00 0.00 0.00 53.44 51.30 2jwh n ALA 443 Cb 0.54 -1.94 0.05 0.00 0.00 0.00 0.00 19.45 18.09 2jwh n ALA 443 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jwh n GLU 444 N 1.82 -5.84 0.09 0.00 2.13 -1.26 -4.89 120.64 112.69 2jwh n GLU 444 Ca 0.34 0.69 -0.12 0.00 0.66 0.00 0.00 57.16 58.73 2jwh n GLU 444 Cb 0.74 -5.49 -0.07 0.00 0.27 0.00 0.00 31.44 26.89 2jwh n GLU 444 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2jwh h LYS 445 N -2.04 0.26 0.00 5.31 1.63 -2.00 -3.36 116.57 116.36 2jwh h LYS 445 Ca -0.59 -0.34 -0.14 0.00 -0.85 0.00 0.00 60.65 58.73 2jwh h LYS 445 Cb 1.36 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 33.07 2jwh h LYS 445 CO 0.57 1.08 -1.61 0.00 -3.45 0.00 0.00 179.45 176.04 2jwh s LYS 447 N -2.31 4.15 -0.43 0.00 2.36 -1.26 -2.62 119.74 119.63 2jwh s LYS 447 Ca -0.04 2.52 0.00 0.00 -2.55 0.00 0.00 55.97 55.90 2jwh s LYS 447 Cb 0.03 -3.09 0.00 0.00 -1.05 0.00 0.00 37.83 33.72 2jwh s LYS 447 CO 0.39 -0.68 0.00 0.41 1.55 0.00 0.00 175.35 177.02 2jwh n GLY 448 N 3.61 0.69 3.81 5.54 0.00 -1.26 -4.91 105.19 112.67 2jwh n GLY 448 Ca 0.14 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.91 4.00 0.91 1.61 1.02 -1.08 -5.07 119.74 119.22 2jwh s LYS 449 Ca 0.00 0.40 -0.12 0.00 0.02 0.00 0.00 55.97 56.28 2jwh s LYS 449 Cb 0.00 -3.26 0.14 0.00 -0.52 0.00 0.00 37.83 34.18 2jwh s LYS 449 CO 0.00 0.59 1.09 0.20 -0.92 0.00 0.00 175.35 176.31 2jwh s GLY 450 N -0.74 1.60 0.40 -3.33 0.00 -1.26 -4.51 107.32 99.48 2jwh s GLY 450 Ca 0.24 -0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.86 2jwh s GLY 450 CO 0.12 0.35 2.03 -2.09 0.00 0.00 0.00 173.10 173.51 2jwh h GLU 451 N -1.58 0.60 -0.22 2.90 4.81 -1.88 0.91 114.58 120.11 2jwh h GLU 451 Ca -0.50 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 2jwh h GLU 451 Cb 1.29 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2jwh h GLU 451 CO 0.56 0.40 -0.21 0.87 -0.73 0.00 0.00 179.01 179.90 2jwh h LYS 452 N 0.62 0.54 -0.01 1.92 1.57 -2.02 -3.31 116.57 115.87 2jwh h LYS 452 Ca 0.20 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 2jwh h LYS 452 Cb 0.04 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jwh h LYS 452 CO -0.05 0.86 -0.57 -0.44 -0.57 0.00 0.00 179.45 178.68 2jwh h ASP 453 N 0.23 0.52 -3.35 0.86 5.19 -1.75 -3.43 116.42 114.70 2jwh h ASP 453 Ca 0.04 -0.75 -0.57 0.00 -0.62 0.00 0.00 57.03 55.13 2jwh h ASP 453 Cb 0.76 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.04 2jwh h ASP 453 CO 0.05 1.20 0.83 0.00 -3.12 0.00 0.00 179.24 178.21 2jwh s LYS 455 N 3.69 3.99 0.05 0.00 3.01 -1.26 -4.66 119.74 124.56 2jwh s LYS 455 Ca 0.45 0.57 -0.25 0.00 -1.01 0.00 0.00 55.97 55.72 2jwh s LYS 455 Cb -0.12 -2.66 -0.17 0.00 -1.01 0.00 0.00 37.83 33.87 2jwh s LYS 455 CO 0.17 0.30 1.55 1.03 0.51 0.00 0.00 175.35 178.91 2jwh h SER 456 N 2.79 -0.17 -0.01 2.83 0.87 -1.92 0.61 113.55 118.55 2jwh h SER 456 Ca -0.48 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 59.95 2jwh h SER 456 Cb 1.18 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2jwh h SER 456 CO 0.66 0.01 -0.04 1.55 -0.53 0.00 0.00 176.83 178.49 2jwh h PRO 457 N -0.35 0.12 -0.05 2.24 0.13 -2.02 -2.72 132.00 129.35 2jwh h PRO 457 Ca -0.02 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 2jwh h PRO 457 Cb 0.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.39 2jwh h PRO 457 CO 0.03 0.17 -0.12 0.22 -0.23 0.00 0.00 178.00 178.08 2jwh h ASP 458 N 0.12 0.20 -4.20 1.44 3.58 -1.88 -3.47 116.42 112.21 2jwh h ASP 458 Ca 0.03 -0.58 -0.14 0.00 0.42 0.00 0.00 57.03 56.76 2jwh h ASP 458 Cb 0.15 -0.06 -0.23 0.00 1.72 0.00 0.00 39.33 40.91 2jwh h ASP 458 CO 0.01 0.74 -0.35 0.00 -2.88 0.00 0.00 179.24 176.76 2jwh s LYS 460 N -0.31 4.26 -0.19 0.00 2.20 0.22 -3.82 119.74 122.10 2jwh s LYS 460 Ca -0.04 2.00 -0.06 0.00 -0.36 0.00 0.00 55.97 57.52 2jwh s LYS 460 Cb -0.03 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 2jwh s LYS 460 CO 0.01 -0.63 0.02 -0.46 -0.36 0.00 0.00 175.35 173.93 2jwh s TRP 461 N 2.67 3.09 -0.14 4.03 -0.11 -1.26 -0.84 118.94 126.38 2jwh s TRP 461 Ca 0.65 -0.28 -0.09 0.00 1.22 0.00 0.00 56.10 57.60 2jwh s TRP 461 Cb -0.32 -2.08 -0.03 0.00 -1.50 0.00 0.00 33.47 29.55 2jwh s TRP 461 CO 0.27 -0.11 -0.18 -1.91 -4.62 0.00 0.00 176.95 170.40 2jwh n GLU 462 N 4.00 0.43 0.00 5.86 2.13 -1.03 -4.96 120.64 127.07 2jwh n GLU 462 Ca -0.17 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2jwh n GLU 462 Cb 0.52 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.59 2jwh n GLU 462 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jwh n GLY 463 N 1.62 0.00 0.00 8.31 0.00 -1.26 -4.97 105.19 108.89 2jwh n GLY 463 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 3.62 3.66 -0.02 0.00 -1.26 -5.11 105.19 106.08 2jwh n GLY 464 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2jwh n GLY 464 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwh s THR 465 N 0.00 4.63 -0.02 2.61 2.01 -1.26 -4.84 115.64 118.77 2jwh s THR 465 Ca 0.00 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2jwh s THR 465 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2jwh s THR 465 CO 0.00 0.53 0.15 0.00 -0.69 0.00 0.00 174.62 174.61 2jwh s LYS 467 N -1.76 0.35 0.00 0.00 0.00 -0.02 -4.35 119.74 113.96 2jwh s LYS 467 Ca 0.24 0.40 0.15 0.00 0.00 0.00 0.00 55.97 56.76 2jwh s LYS 467 Cb -0.12 0.17 0.87 0.00 0.00 0.00 0.00 37.83 38.74 2jwh s LYS 467 CO 0.15 -0.04 1.28 -3.47 0.00 0.00 0.00 175.35 173.28