#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 0.11 2.61 -2.24 -1.26 -5.08 114.28 108.42 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 1.17 -0.57 0.00 0.00 175.07 175.67 2jwh n LYS 423 N 0.00 0.00 -0.02 -0.78 4.81 -1.26 -4.95 118.16 115.96 2jwh n LYS 423 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2jwh n LYS 423 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jwh h ALA 424 N 0.00 0.30 -2.70 3.14 0.00 -2.09 -3.51 119.26 114.39 2jwh h ALA 424 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2jwh h ALA 424 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jwh h ALA 424 CO 0.00 0.98 -0.61 0.43 0.00 0.00 0.00 179.25 180.05 2jwh n SER 425 N -3.89 -6.77 0.18 0.00 7.64 -1.26 -4.83 113.62 104.70 2jwh n SER 425 Ca -0.29 0.87 0.05 0.00 1.01 0.00 0.00 58.87 60.50 2jwh n SER 425 Cb 0.90 -2.98 0.28 0.00 -1.01 0.00 0.00 64.21 61.40 2jwh n SER 425 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2jwh h LYS 426 N 2.05 0.00 -5.20 1.43 5.09 -2.04 -3.48 116.57 114.41 2jwh h LYS 426 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 2jwh h LYS 426 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2jwh h LYS 426 CO 0.00 0.41 -0.84 0.43 -2.09 0.00 0.00 179.45 177.37 2jwh n SER 427 N -3.48 -8.01 -3.53 7.07 7.64 -1.26 -5.07 113.62 106.97 2jwh n SER 427 Ca 0.00 1.13 0.03 0.00 1.01 0.00 0.00 58.87 61.04 2jwh n SER 427 Cb 0.55 -5.33 -0.06 0.00 -1.01 0.00 0.00 64.21 58.37 2jwh n SER 427 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jwh s GLY 428 N -1.95 0.53 0.32 0.23 0.00 -1.26 -5.15 107.32 100.05 2jwh s GLY 428 Ca 0.08 3.78 -0.29 0.00 0.00 0.00 0.00 44.72 48.30 2jwh s GLY 428 CO 0.78 2.93 1.48 -1.34 0.00 0.00 0.00 173.10 176.95 2jwh s VAL 429 N 1.31 2.26 0.41 1.40 -7.23 -1.26 -4.95 120.40 112.35 2jwh s VAL 429 Ca -0.06 0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.10 2jwh s VAL 429 Cb -0.02 -3.16 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 2jwh s VAL 429 CO -0.11 0.05 1.30 -2.84 -0.31 0.00 0.00 175.10 173.19 2jwh s PRO 430 N -1.27 3.93 -1.34 4.82 0.02 -1.26 -4.89 135.00 135.01 2jwh s PRO 430 Ca 0.56 2.15 -0.14 0.00 0.02 0.00 0.00 61.00 63.60 2jwh s PRO 430 Cb -0.45 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 2jwh s PRO 430 CO 0.54 -0.52 2.33 0.28 -0.33 0.00 0.00 177.00 179.30 2jwh n VAL 431 N 0.06 3.29 -0.88 3.83 0.31 -1.26 -4.82 118.33 118.87 2jwh n VAL 431 Ca 0.04 -2.56 -0.26 0.00 -0.01 0.00 0.00 64.34 61.56 2jwh n VAL 431 Cb 0.44 -2.53 -0.02 0.00 -0.91 0.00 0.00 33.84 30.82 2jwh n VAL 431 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jwh n THR 432 N 4.84 2.90 0.00 2.52 -2.24 -1.26 -3.30 114.28 117.74 2jwh n THR 432 Ca 0.57 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2jwh n THR 432 Cb 0.34 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 2jwh n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwh n GLN 433 N 3.99 0.00 -3.09 -0.78 10.64 -1.26 -5.06 117.38 121.81 2jwh n GLN 433 Ca 0.53 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 55.30 2jwh n GLN 433 Cb 0.17 -0.17 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 2jwh n GLN 433 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2jwh s THR 434 N -1.57 4.95 -0.30 -0.39 -1.32 -1.21 -5.03 115.64 110.78 2jwh s THR 434 Ca 0.00 1.40 -0.16 0.00 -1.21 0.00 0.00 61.69 61.72 2jwh s THR 434 Cb 0.00 -4.01 0.16 0.00 -1.51 0.00 0.00 72.50 67.14 2jwh s THR 434 CO 0.00 0.33 1.03 -1.58 -2.21 0.00 0.00 174.62 172.19 2jwh s GLN 435 N 0.31 0.28 -1.62 7.08 0.74 -1.26 -4.98 119.66 120.22 2jwh s GLN 435 Ca 0.35 0.60 -0.05 0.00 0.05 0.00 0.00 55.36 56.31 2jwh s GLN 435 Cb -0.18 0.24 0.05 0.00 1.10 0.00 0.00 33.01 34.22 2jwh s GLN 435 CO 0.18 -0.08 0.15 -2.37 -0.55 0.00 0.00 175.29 172.62 2jwh n THR 436 N 4.30 -0.86 0.00 -0.34 5.66 -1.26 -2.45 114.28 119.32 2jwh n THR 436 Ca -0.13 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2jwh n THR 436 Cb 0.55 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jwh n ALA 437 N -4.47 0.00 -0.50 1.79 0.00 -1.26 -4.91 120.51 111.16 2jwh n ALA 437 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jwh n ALA 437 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 1.59 3.68 0.00 0.00 -1.03 -4.95 105.19 104.49 2jwh n GLY 438 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 8.29 -2.25 -0.01 4.61 0.00 -1.26 -4.92 120.51 124.96 2jwh n ALA 439 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2jwh n ALA 439 Cb 0.00 -3.06 -0.10 0.00 0.00 0.00 0.00 19.45 16.29 2jwh n ALA 439 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jwh h ASP 440 N -1.78 -0.02 0.06 0.00 5.19 -1.99 -3.38 116.42 114.50 2jwh h ASP 440 Ca -0.63 -0.54 -0.00 0.00 -0.62 0.00 0.00 57.03 55.24 2jwh h ASP 440 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2jwh h ASP 440 CO 0.53 0.54 -0.03 0.74 -3.12 0.00 0.00 179.24 177.90 2jwh h THR 441 N -0.58 0.95 -3.37 0.35 2.02 -2.00 -3.44 112.91 106.83 2jwh h THR 441 Ca -0.00 -1.52 -0.56 0.00 0.77 0.00 0.00 66.41 65.11 2jwh h THR 441 Cb 0.55 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 2jwh h THR 441 CO 0.00 0.29 0.15 0.28 0.37 0.00 0.00 175.52 176.62 2jwh s THR 442 N -2.50 5.01 -0.10 3.16 -1.32 -1.26 -4.93 115.64 113.70 2jwh s THR 442 Ca -0.11 1.58 -0.00 0.00 -1.21 0.00 0.00 61.69 61.94 2jwh s THR 442 Cb -0.01 -4.10 0.07 0.00 -1.51 0.00 0.00 72.50 66.95 2jwh s THR 442 CO 0.42 0.23 1.96 0.00 -2.21 0.00 0.00 174.62 175.02 2jwh n ALA 443 N 3.79 4.27 -3.78 11.08 0.00 -1.26 -4.70 120.51 129.91 2jwh n ALA 443 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 2jwh n ALA 443 Cb 0.51 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.89 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 1.10 -5.78 -0.22 0.00 2.13 -1.26 -4.87 120.64 111.74 2jwh n GLU 444 Ca 0.09 0.65 -0.06 0.00 0.66 0.00 0.00 57.16 58.51 2jwh n GLU 444 Cb 0.53 -5.48 0.10 0.00 0.27 0.00 0.00 31.44 26.86 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 -2.11 1.04 0.00 5.31 1.57 -1.92 -3.34 116.57 117.12 2jwh h LYS 445 Ca -0.59 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2jwh h LYS 445 Cb 1.37 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2jwh h LYS 445 CO 0.62 0.92 -0.09 0.00 -0.57 0.00 0.00 179.45 180.32 2jwh s LYS 447 N -0.96 2.97 0.00 0.00 2.20 -0.87 -2.46 119.74 120.62 2jwh s LYS 447 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 2jwh s LYS 447 Cb 0.00 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 2jwh s LYS 447 CO 0.00 -2.30 0.00 0.41 -0.36 0.00 0.00 175.35 173.10 2jwh n GLY 448 N 5.58 1.33 3.87 5.54 0.00 -1.26 -5.01 105.19 115.25 2jwh n GLY 448 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2jwh n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwh s LYS 449 N 0.00 3.79 1.20 1.61 -2.85 -1.03 -5.04 119.74 117.41 2jwh s LYS 449 Ca 0.00 0.45 -0.19 0.00 -1.00 0.00 0.00 55.97 55.23 2jwh s LYS 449 Cb 0.00 -2.41 0.28 0.00 -2.06 0.00 0.00 37.83 33.64 2jwh s LYS 449 CO 0.00 -0.00 1.10 0.20 0.10 0.00 0.00 175.35 176.75 2jwh s GLY 450 N -3.08 1.58 0.03 0.59 0.00 -1.26 -4.37 107.32 100.81 2jwh s GLY 450 Ca 0.51 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 2jwh s GLY 450 CO 0.30 -0.04 1.47 -2.09 0.00 0.00 0.00 173.10 172.74 2jwh h GLU 451 N -2.57 -0.07 -0.05 2.90 4.81 -1.96 0.25 114.58 117.87 2jwh h GLU 451 Ca -0.45 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 2jwh h GLU 451 Cb 1.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2jwh h GLU 451 CO 0.35 0.18 -0.39 1.57 -0.73 0.00 0.00 179.01 180.00 2jwh h LYS 452 N -0.33 0.11 -0.16 1.92 2.10 -2.04 -2.54 116.57 115.62 2jwh h LYS 452 Ca -0.01 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.46 2jwh h LYS 452 Cb 0.29 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2jwh h LYS 452 CO 0.01 0.48 -0.50 -0.44 -2.00 0.00 0.00 179.45 177.01 2jwh h ASP 453 N 0.09 0.47 -2.24 7.07 5.19 -1.87 -3.43 116.42 121.70 2jwh h ASP 453 Ca 0.01 -0.24 -0.55 0.00 -0.62 0.00 0.00 57.03 55.63 2jwh h ASP 453 Cb 0.73 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.12 2jwh h ASP 453 CO 0.05 0.90 1.32 0.00 -3.12 0.00 0.00 179.24 178.39 2jwh s LYS 455 N 5.09 4.39 0.05 0.00 1.02 -1.26 -4.96 119.74 124.06 2jwh s LYS 455 Ca 0.93 1.30 -0.27 0.00 0.02 0.00 0.00 55.97 57.94 2jwh s LYS 455 Cb -0.40 -3.55 -0.17 0.00 -0.52 0.00 0.00 37.83 33.19 2jwh s LYS 455 CO 0.40 -0.33 1.49 0.77 -0.92 0.00 0.00 175.35 176.76 2jwh h SER 456 N 7.16 -0.40 0.12 2.83 0.02 -1.93 0.46 113.55 121.82 2jwh h SER 456 Ca -0.30 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2jwh h SER 456 Cb 1.14 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jwh h SER 456 CO 0.86 -0.17 -0.09 1.55 -1.14 0.00 0.00 176.83 177.84 2jwh h PRO 457 N -0.62 0.00 0.02 3.45 0.13 -2.04 -2.77 132.00 130.18 2jwh h PRO 457 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2jwh h PRO 457 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2jwh h PRO 457 CO 0.08 0.09 -0.01 0.22 -0.23 0.00 0.00 178.00 178.15 2jwh h ASP 458 N 0.00 -0.03 -4.80 1.44 3.58 -1.92 -3.48 116.42 111.21 2jwh h ASP 458 Ca -0.00 -0.68 -0.13 0.00 0.42 0.00 0.00 57.03 56.64 2jwh h ASP 458 Cb 0.17 0.01 -0.21 0.00 1.72 0.00 0.00 39.33 41.02 2jwh h ASP 458 CO 0.01 0.70 -0.33 0.00 -2.88 0.00 0.00 179.24 176.74 2jwh s LYS 460 N -1.10 4.00 -0.20 0.00 2.47 0.34 -3.90 119.74 121.35 2jwh s LYS 460 Ca -0.12 0.49 -0.29 0.00 -1.56 0.00 0.00 55.97 54.49 2jwh s LYS 460 Cb -0.05 -3.23 -0.00 0.00 -1.46 0.00 0.00 37.83 33.08 2jwh s LYS 460 CO 0.03 0.66 1.17 -0.46 0.16 0.00 0.00 175.35 176.92 2jwh s TRP 461 N -1.02 3.04 -0.14 4.03 -0.11 -1.26 -0.86 118.94 122.62 2jwh s TRP 461 Ca 0.25 1.18 -0.08 0.00 1.22 0.00 0.00 56.10 58.68 2jwh s TRP 461 Cb -0.17 -3.43 0.05 0.00 -1.50 0.00 0.00 33.47 28.42 2jwh s TRP 461 CO 0.14 -1.21 0.34 -2.00 -4.62 0.00 0.00 176.95 169.60 2jwh s GLU 462 N 3.41 0.31 -1.44 5.86 -6.30 0.34 -4.89 118.70 115.98 2jwh s GLU 462 Ca 0.50 0.66 -0.08 0.00 -2.50 0.00 0.00 54.97 53.56 2jwh s GLU 462 Cb -0.19 -0.06 0.02 0.00 0.00 0.00 0.00 34.13 33.91 2jwh s GLU 462 CO 0.12 -0.16 0.95 0.41 0.02 0.00 0.00 175.26 176.60 2jwh n GLY 463 N 4.19 -0.53 2.84 -1.50 0.00 -1.26 -1.35 105.19 107.58 2jwh n GLY 463 Ca -0.24 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.79 -0.49 3.26 -0.02 0.00 -1.26 -4.98 105.19 99.92 2jwh n GLY 464 Ca -0.03 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.13 -0.01 -0.10 2.61 2.01 -0.46 -5.01 115.64 111.54 2jwh s THR 465 Ca 0.23 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2jwh s THR 465 Cb -0.10 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 2jwh s THR 465 CO 0.28 0.02 1.07 0.00 -0.69 0.00 0.00 174.62 175.30 2jwh s LYS 467 N 2.17 0.71 0.00 0.00 -2.85 -0.04 -2.05 119.74 117.68 2jwh s LYS 467 Ca 0.50 1.05 0.24 0.00 -1.00 0.00 0.00 55.97 56.77 2jwh s LYS 467 Cb -0.20 0.24 0.20 0.00 -2.06 0.00 0.00 37.83 36.01 2jwh s LYS 467 CO 0.18 -0.12 1.26 -0.40 0.10 0.00 0.00 175.35 176.38