#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 3.08 -0.28 2.61 -4.23 -1.26 -5.03 115.64 110.54 2jwh s THR 422 Ca 0.00 1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 61.40 2jwh s THR 422 Cb 0.00 -3.67 0.09 0.00 1.34 0.00 0.00 72.50 70.25 2jwh s THR 422 CO 0.00 0.24 0.73 -0.75 -0.54 0.00 0.00 174.62 174.29 2jwh s LYS 423 N -1.41 0.68 0.01 3.99 2.20 -1.26 -5.07 119.74 118.89 2jwh s LYS 423 Ca 0.48 1.14 -0.24 0.00 -0.36 0.00 0.00 55.97 57.00 2jwh s LYS 423 Cb -0.36 0.16 -0.17 0.00 -1.51 0.00 0.00 37.83 35.94 2jwh s LYS 423 CO 0.46 -0.14 1.36 0.00 -0.36 0.00 0.00 175.35 176.68 2jwh h ALA 424 N 6.71 0.08 -3.00 3.13 0.00 -2.02 -3.49 119.26 120.67 2jwh h ALA 424 Ca -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jwh h ALA 424 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jwh h ALA 424 CO 0.15 -0.17 0.00 0.45 0.00 0.00 0.00 179.25 179.68 2jwh n SER 425 N -4.79 2.84 -3.39 0.00 2.88 -1.26 -4.66 113.62 105.23 2jwh n SER 425 Ca -0.07 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.22 2jwh n SER 425 Cb 0.25 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.75 2jwh n SER 425 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jwh n LYS 426 N 0.00 -5.76 0.00 -1.46 4.76 -1.26 -4.60 118.16 109.84 2jwh n LYS 426 Ca 0.00 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 2jwh n LYS 426 Cb 0.00 -5.69 0.00 0.00 -1.84 0.00 0.00 35.03 27.50 2jwh n LYS 426 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jwh n SER 427 N -2.70 0.00 0.00 4.39 7.64 -1.26 -5.15 113.62 116.55 2jwh n SER 427 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2jwh n SER 427 Cb 0.58 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 2jwh n SER 427 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwh n GLY 428 N -1.43 2.46 3.47 0.23 0.00 -1.26 -5.16 105.19 103.51 2jwh n GLY 428 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2jwh n GLY 428 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwh s VAL 429 N 1.28 -0.78 -0.55 1.61 0.11 -1.26 -4.85 120.40 115.97 2jwh s VAL 429 Ca 0.00 0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 2jwh s VAL 429 Cb 0.00 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2jwh s VAL 429 CO 0.00 0.03 2.16 -2.84 -3.33 0.00 0.00 175.10 171.12 2jwh s PRO 430 N 2.68 2.33 -0.22 1.54 0.02 -1.26 -4.89 135.00 135.19 2jwh s PRO 430 Ca -0.04 1.04 -0.28 0.00 0.02 0.00 0.00 61.00 61.73 2jwh s PRO 430 Cb -0.12 -4.50 -0.04 0.00 0.02 0.00 0.00 34.50 29.86 2jwh s PRO 430 CO -0.16 -3.04 2.06 0.54 -0.33 0.00 0.00 177.00 176.07 2jwh s VAL 431 N 10.80 3.17 -1.95 3.83 0.11 -1.26 -0.94 120.40 134.15 2jwh s VAL 431 Ca 0.84 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2jwh s VAL 431 Cb -0.15 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2jwh s VAL 431 CO 0.23 -0.12 0.00 0.41 -3.33 0.00 0.00 175.10 172.29 2jwh n THR 432 N 7.42 -0.51 0.00 5.04 -1.04 -1.26 -3.97 114.28 119.95 2jwh n THR 432 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 2jwh n THR 432 Cb 0.45 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 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 -2.70 0.00 -2.72 -2.82 3.00 -0.12 -4.78 117.38 107.24 2jwh n GLN 433 Ca -0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.34 2jwh n GLN 433 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.89 2jwh n GLN 433 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2jwh s THR 434 N 0.00 4.76 0.25 5.09 2.01 -1.25 -4.87 115.64 121.63 2jwh s THR 434 Ca 0.00 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 2jwh s THR 434 Cb 0.00 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 2jwh s THR 434 CO 0.00 -0.07 1.12 0.00 -0.69 0.00 0.00 174.62 174.98 2jwh s GLN 435 N 2.56 4.61 -0.28 4.92 -2.07 -1.26 -4.83 119.66 123.30 2jwh s GLN 435 Ca 0.44 1.81 -0.22 0.00 -1.82 0.00 0.00 55.36 55.57 2jwh s GLN 435 Cb -0.16 -3.21 0.11 0.00 -1.09 0.00 0.00 33.01 28.66 2jwh s GLN 435 CO 0.12 0.14 0.91 -0.08 -1.32 0.00 0.00 175.29 175.06 2jwh s THR 436 N -0.85 0.00 -1.28 3.63 -1.32 -1.26 -4.95 115.64 109.61 2jwh s THR 436 Ca 0.46 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 2jwh s THR 436 Cb -0.32 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.68 2jwh s THR 436 CO 0.40 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.92 2jwh n ALA 437 N 2.95 -1.30 -2.59 11.08 0.00 -1.26 -4.86 120.51 124.53 2jwh n ALA 437 Ca -0.15 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 2jwh n ALA 437 Cb 0.57 -5.06 0.05 0.00 0.00 0.00 0.00 19.45 15.00 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 -1.88 0.17 0.14 0.00 0.00 -1.26 -4.99 105.19 97.37 2jwh n GLY 438 Ca -0.01 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2jwh n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwh h ALA 439 N 0.62 0.10 -2.70 4.61 0.00 -1.96 -3.46 119.26 116.47 2jwh h ALA 439 Ca -0.25 -1.08 -0.52 0.00 0.00 0.00 0.00 54.91 53.06 2jwh h ALA 439 Cb 1.15 0.38 0.02 0.00 0.00 0.00 0.00 17.79 19.34 2jwh h ALA 439 CO -0.10 0.97 0.54 -0.51 0.00 0.00 0.00 179.25 180.15 2jwh s ASP 440 N -7.33 7.12 -0.06 0.00 1.01 -1.26 -4.90 116.67 111.25 2jwh s ASP 440 Ca -0.14 2.25 -0.05 0.00 0.71 0.00 0.00 52.55 55.32 2jwh s ASP 440 Cb 0.05 -2.61 -0.23 0.00 1.01 0.00 0.00 42.92 41.14 2jwh s ASP 440 CO 0.87 -0.32 3.21 0.41 0.21 0.00 0.00 175.17 179.56 2jwh n THR 441 N 2.17 2.67 -0.03 -1.27 -1.04 -1.26 -3.96 114.28 111.55 2jwh n THR 441 Ca 0.03 -1.35 0.01 0.00 -2.04 0.00 0.00 64.05 60.70 2jwh n THR 441 Cb 0.45 -1.96 -0.14 0.00 -1.82 0.00 0.00 70.33 66.85 2jwh n THR 441 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jwh n THR 442 N 2.61 0.78 -2.12 12.58 5.66 -1.26 -4.98 114.28 127.55 2jwh n THR 442 Ca 0.39 -0.68 -0.20 0.00 -3.05 0.00 0.00 64.05 60.52 2jwh n THR 442 Cb 0.78 -0.33 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 2jwh n THR 442 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jwh n ALA 443 N -2.47 -0.49 -4.09 1.79 0.00 -1.25 -2.82 120.51 111.17 2jwh n ALA 443 Ca -0.16 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 2jwh n ALA 443 Cb 0.84 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.75 -4.07 0.14 0.00 2.13 -1.26 -4.85 120.64 109.98 2jwh n GLU 444 Ca -0.22 0.46 0.04 0.00 0.66 0.00 0.00 57.16 58.09 2jwh n GLU 444 Cb 0.67 -5.21 0.04 0.00 0.27 0.00 0.00 31.44 27.21 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2jwh h LYS 445 N -1.74 0.00 -0.07 5.31 1.57 -1.92 -3.25 116.57 116.47 2jwh h LYS 445 Ca -0.59 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.00 2jwh h LYS 445 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 2jwh h LYS 445 CO 0.73 0.43 -0.77 0.00 -0.57 0.00 0.00 179.45 179.27 2jwh s LYS 447 N -3.56 3.96 0.00 0.00 2.20 -0.79 -2.53 119.74 119.02 2jwh s LYS 447 Ca -0.06 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 2jwh s LYS 447 Cb 0.10 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2jwh s LYS 447 CO 0.85 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 2jwh n GLY 448 N 4.56 3.42 3.76 5.54 0.00 -1.26 -5.05 105.19 116.15 2jwh n GLY 448 Ca 0.20 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 4.40 0.00 1.61 3.01 -1.05 -5.04 119.74 122.67 2jwh s LYS 449 Ca 0.00 2.11 0.00 0.00 -1.01 0.00 0.00 55.97 57.07 2jwh s LYS 449 Cb 0.00 -3.13 0.00 0.00 -1.01 0.00 0.00 37.83 33.69 2jwh s LYS 449 CO 0.00 -0.17 0.00 0.41 0.51 0.00 0.00 175.35 176.10 2jwh n GLY 450 N 1.48 -1.01 0.24 -3.33 0.00 -1.26 -3.97 105.19 97.34 2jwh n GLY 450 Ca 0.02 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 2jwh n GLY 450 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jwh h GLU 451 N 0.00 0.51 0.04 1.61 4.81 -1.96 0.25 114.58 119.84 2jwh h GLU 451 Ca 0.00 -0.19 -0.27 0.00 -0.13 0.00 0.00 59.36 58.77 2jwh h GLU 451 Cb 0.00 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.37 2jwh h GLU 451 CO 0.00 0.71 -1.10 0.87 -0.73 0.00 0.00 179.01 178.76 2jwh h LYS 452 N 0.46 0.61 -0.06 1.92 6.56 -2.03 -3.32 116.57 120.71 2jwh h LYS 452 Ca 0.07 -0.71 -0.01 0.00 -1.06 0.00 0.00 60.65 58.94 2jwh h LYS 452 Cb 0.65 0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.52 2jwh h LYS 452 CO 0.05 1.30 -0.00 -0.44 -2.06 0.00 0.00 179.45 178.29 2jwh h ASP 453 N 0.31 0.10 -2.55 0.86 3.32 -1.85 -3.42 116.42 113.20 2jwh h ASP 453 Ca -0.14 -0.32 -0.53 0.00 0.02 0.00 0.00 57.03 56.06 2jwh h ASP 453 Cb 1.76 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 41.30 2jwh h ASP 453 CO 0.21 0.40 1.10 0.00 -1.72 0.00 0.00 179.24 179.23 2jwh n LYS 455 N 6.22 0.56 -4.07 0.00 5.02 -1.26 -4.85 118.16 119.79 2jwh n LYS 455 Ca 0.18 -2.36 -0.27 0.00 -2.02 0.00 0.00 58.31 53.83 2jwh n LYS 455 Cb 0.40 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.93 2jwh n LYS 455 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jwh n SER 456 N 0.08 0.05 -0.02 4.39 7.64 -1.23 -4.89 113.62 119.63 2jwh n SER 456 Ca 0.03 -1.09 -0.16 0.00 1.01 0.00 0.00 58.87 58.66 2jwh n SER 456 Cb 1.01 -2.59 -0.10 0.00 -1.01 0.00 0.00 64.21 61.52 2jwh n SER 456 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jwh h PRO 457 N -1.83 0.41 0.00 1.43 0.11 -1.95 -3.40 132.00 126.76 2jwh h PRO 457 Ca -0.64 -0.37 -0.15 0.00 0.11 0.00 0.00 66.00 64.95 2jwh h PRO 457 Cb 1.38 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.44 2jwh h PRO 457 CO 0.65 1.02 -0.26 -3.47 -0.21 0.00 0.00 178.00 175.72 2jwh n ASP 458 N -4.31 -1.25 -3.79 -2.05 -0.08 -1.26 -5.12 116.55 98.69 2jwh n ASP 458 Ca -0.09 -2.08 -0.13 0.00 -1.51 0.00 0.00 54.79 50.99 2jwh n ASP 458 Cb 0.59 0.54 -0.10 0.00 2.34 0.00 0.00 41.12 44.48 2jwh n ASP 458 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jwh s LYS 460 N -0.66 2.80 -0.27 0.00 -0.14 0.17 -3.57 119.74 118.06 2jwh s LYS 460 Ca -0.08 -0.70 -0.28 0.00 -1.36 0.00 0.00 55.97 53.55 2jwh s LYS 460 Cb -0.04 -2.45 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2jwh s LYS 460 CO 0.02 0.48 1.01 -0.46 -0.76 0.00 0.00 175.35 175.64 2jwh s TRP 461 N -0.35 3.27 -0.21 3.18 -0.11 -1.26 -0.94 118.94 122.51 2jwh s TRP 461 Ca 0.03 1.30 -0.14 0.00 1.22 0.00 0.00 56.10 58.52 2jwh s TRP 461 Cb -0.12 -3.38 0.06 0.00 -1.50 0.00 0.00 33.47 28.52 2jwh s TRP 461 CO 0.02 -0.57 0.53 -2.00 -4.62 0.00 0.00 176.95 170.31 2jwh s GLU 462 N 3.30 0.56 -1.51 5.86 2.12 0.29 -4.92 118.70 124.40 2jwh s GLU 462 Ca 0.43 0.90 -0.06 0.00 0.36 0.00 0.00 54.97 56.60 2jwh s GLU 462 Cb -0.14 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.39 2jwh s GLU 462 CO 0.10 -0.13 0.68 0.41 -0.54 0.00 0.00 175.26 175.77 2jwh n GLY 463 N 3.82 -0.52 3.37 -1.50 0.00 -1.26 -1.58 105.19 107.52 2jwh n GLY 463 Ca -0.19 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.55 -0.38 3.54 -0.02 0.00 -1.26 -4.99 105.19 100.52 2jwh n GLY 464 Ca -0.08 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.29 -0.00 -0.26 2.61 2.01 -0.61 -5.03 115.64 111.07 2jwh s THR 465 Ca 0.52 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 2jwh s THR 465 Cb -0.23 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2jwh s THR 465 CO 0.65 0.01 0.76 0.00 -0.69 0.00 0.00 174.62 175.35 2jwh s LYS 467 N 2.77 1.10 0.00 0.00 0.00 -0.12 -1.88 119.74 121.61 2jwh s LYS 467 Ca 0.32 -0.20 0.09 0.00 0.00 0.00 0.00 55.97 56.17 2jwh s LYS 467 Cb -0.15 0.50 0.52 0.00 0.00 0.00 0.00 37.83 38.70 2jwh s LYS 467 CO 0.09 -0.41 0.97 -0.40 0.00 0.00 0.00 175.35 175.60