#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 0.94 -1.03 2.61 -2.24 -1.26 -4.96 114.28 108.34 2jwh n THR 422 Ca 0.00 -2.40 -0.17 0.00 -2.27 0.00 0.00 64.05 59.21 2jwh n THR 422 Cb 0.00 1.22 -0.13 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.60 2.30 -3.58 -0.78 4.76 -1.26 -4.68 118.16 114.33 2jwh n LYS 423 Ca 0.03 -1.23 -0.02 0.00 -2.87 0.00 0.00 58.31 54.22 2jwh n LYS 423 Cb 0.85 -2.16 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jwh s ALA 424 N 1.35 -2.23 -0.29 7.82 0.00 -1.26 -5.16 121.76 121.99 2jwh s ALA 424 Ca 0.65 2.26 -0.19 0.00 0.00 0.00 0.00 51.96 54.68 2jwh s ALA 424 Cb 0.28 -1.76 0.14 0.00 0.00 0.00 0.00 23.12 21.78 2jwh s ALA 424 CO -0.01 -0.69 1.01 -1.54 0.00 0.00 0.00 175.76 174.52 2jwh s SER 425 N 2.18 -0.48 -0.13 0.00 1.04 -1.26 -5.04 113.70 110.01 2jwh s SER 425 Ca -0.07 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.16 2jwh s SER 425 Cb -0.07 1.06 0.01 0.00 0.10 0.00 0.00 66.02 67.13 2jwh s SER 425 CO -0.18 -0.13 2.37 0.29 0.98 0.00 0.00 173.24 176.57 2jwh n LYS 426 N 3.15 1.53 -3.15 4.02 5.02 -1.26 -4.88 118.16 122.59 2jwh n LYS 426 Ca -0.16 -0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 54.91 2jwh n LYS 426 Cb 0.57 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 2jwh n LYS 426 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwh s SER 427 N 1.35 6.71 -0.67 4.39 0.15 -1.26 -4.02 113.70 120.35 2jwh s SER 427 Ca 0.26 0.86 -0.03 0.00 0.70 0.00 0.00 55.95 57.74 2jwh s SER 427 Cb 0.16 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2jwh s SER 427 CO -0.02 -0.21 0.41 0.61 1.20 0.00 0.00 173.24 175.24 2jwh n GLY 428 N 3.65 0.19 3.48 9.45 0.00 -1.26 -5.01 105.19 115.69 2jwh n GLY 428 Ca -0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.99 5.21 0.05 1.61 1.01 -1.26 -5.05 120.40 118.98 2jwh s VAL 429 Ca 0.21 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2jwh s VAL 429 Cb -0.09 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 2jwh s VAL 429 CO 0.25 -0.19 1.49 -2.84 0.00 0.00 0.00 175.10 173.82 2jwh s PRO 430 N 1.69 4.25 -0.15 2.72 0.02 -1.26 -4.98 135.00 137.29 2jwh s PRO 430 Ca 0.05 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 2jwh s PRO 430 Cb -0.18 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.80 2jwh s PRO 430 CO 0.10 -0.61 0.92 0.08 -0.33 0.00 0.00 177.00 177.16 2jwh s VAL 431 N 2.26 4.82 -0.01 3.83 1.01 -1.26 -4.94 120.40 126.11 2jwh s VAL 431 Ca 0.68 1.84 -0.21 0.00 0.00 0.00 0.00 61.98 64.28 2jwh s VAL 431 Cb -0.36 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.57 2jwh s VAL 431 CO 0.29 -0.00 1.10 0.74 0.00 0.00 0.00 175.10 177.23 2jwh h THR 432 N 5.18 1.46 -1.47 3.92 2.02 -2.07 -3.45 112.91 118.49 2jwh h THR 432 Ca -0.29 -1.97 0.12 0.00 0.77 0.00 0.00 66.41 65.05 2jwh h THR 432 Cb 1.13 2.59 -0.22 0.00 -1.74 0.00 0.00 68.15 69.91 2jwh h THR 432 CO 0.86 0.56 0.01 -1.58 0.37 0.00 0.00 175.52 175.74 2jwh s GLN 433 N -3.28 0.45 -0.01 6.66 0.74 -1.26 -5.08 119.66 117.89 2jwh s GLN 433 Ca -0.14 1.10 -0.15 0.00 0.05 0.00 0.00 55.36 56.22 2jwh s GLN 433 Cb 0.03 0.66 -0.08 0.00 1.10 0.00 0.00 33.01 34.71 2jwh s GLN 433 CO 0.79 -0.19 0.78 1.15 -0.55 0.00 0.00 175.29 177.26 2jwh h THR 434 N 5.78 0.00 -1.04 -0.34 2.02 -2.02 -3.48 112.91 113.83 2jwh h THR 434 Ca -0.17 -0.32 0.21 0.00 0.77 0.00 0.00 66.41 66.90 2jwh h THR 434 Cb 1.11 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 67.19 2jwh h THR 434 CO 0.10 0.00 0.82 0.00 0.37 0.00 0.00 175.52 176.81 2jwh s GLN 435 N -3.46 0.03 -0.19 6.66 1.03 -1.26 -5.06 119.66 117.41 2jwh s GLN 435 Ca -0.08 0.04 -0.08 0.00 0.04 0.00 0.00 55.36 55.28 2jwh s GLN 435 Cb 0.01 0.01 -0.21 0.00 0.03 0.00 0.00 33.01 32.84 2jwh s GLN 435 CO 0.24 -0.00 0.12 0.25 -2.54 0.00 0.00 175.29 173.35 2jwh n THR 436 N 2.48 1.64 -3.33 3.63 -2.24 -1.26 -4.92 114.28 110.28 2jwh n THR 436 Ca -0.14 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 2jwh n THR 436 Cb 0.56 -1.73 0.03 0.00 -2.10 0.00 0.00 70.33 67.10 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwh n ALA 437 N -3.26 -1.09 -3.31 6.98 0.00 -1.26 -0.51 120.51 118.06 2jwh n ALA 437 Ca -0.38 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 2jwh n ALA 437 Cb 0.95 -3.97 0.08 0.00 0.00 0.00 0.00 19.45 16.51 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 -1.54 -0.90 2.74 0.00 0.00 -1.26 -3.15 105.19 101.08 2jwh n GLY 438 Ca -0.05 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.52 -1.84 0.00 4.61 0.00 -1.11 -0.59 120.51 118.06 2jwh n ALA 439 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jwh n ALA 439 Cb 0.64 -3.93 0.00 0.00 0.00 0.00 0.00 19.45 16.16 2jwh n ALA 439 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jwh n ASP 440 N -2.70 0.00 -0.61 0.00 8.00 0.34 -2.35 116.55 119.23 2jwh n ASP 440 Ca -0.07 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.40 2jwh n ASP 440 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2jwh n ASP 440 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2jwh n THR 441 N 0.00 0.00 -0.03 -3.53 5.66 -1.19 -4.70 114.28 110.50 2jwh n THR 441 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 2jwh n THR 441 Cb 0.00 0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 68.86 2jwh n THR 441 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2jwh h THR 442 N 2.67 1.48 -5.73 1.09 2.02 -0.62 -3.48 112.91 110.33 2jwh h THR 442 Ca -0.21 -1.82 -0.33 0.00 0.77 0.00 0.00 66.41 64.83 2jwh h THR 442 Cb 0.85 2.53 0.15 0.00 -1.74 0.00 0.00 68.15 69.94 2jwh h THR 442 CO -0.11 0.51 -0.84 0.00 0.37 0.00 0.00 175.52 175.45 2jwh n ALA 443 N -2.52 -2.28 -0.62 6.16 0.00 0.25 -4.71 120.51 116.79 2jwh n ALA 443 Ca -0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 2jwh n ALA 443 Cb 0.50 -3.95 -0.03 0.00 0.00 0.00 0.00 19.45 15.97 2jwh n ALA 443 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jwh n GLU 444 N -3.80 1.66 -0.06 0.00 0.28 -1.26 -4.49 120.64 112.96 2jwh n GLU 444 Ca -0.18 -1.14 -0.03 0.00 -0.16 0.00 0.00 57.16 55.66 2jwh n GLU 444 Cb 0.64 -2.24 0.21 0.00 1.43 0.00 0.00 31.44 31.49 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2jwh h LYS 445 N 5.97 0.67 0.00 3.44 1.57 -1.91 -2.33 116.57 123.98 2jwh h LYS 445 Ca 0.36 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jwh h LYS 445 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2jwh h LYS 445 CO 1.13 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 180.71 2jwh n LYS 447 N -2.64 2.08 -1.44 0.00 4.81 -0.88 -2.54 118.16 117.55 2jwh n LYS 447 Ca 0.03 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2jwh n LYS 447 Cb 0.37 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.87 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 3.90 0.58 0.11 3.14 0.00 -1.26 -4.95 105.19 106.71 2jwh n GLY 448 Ca 0.20 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.42 2jwh n GLY 448 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jwh h LYS 449 N 0.00 0.00 0.00 1.61 1.57 -1.84 -3.50 116.57 114.41 2jwh h LYS 449 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jwh h LYS 449 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jwh h LYS 449 CO 0.00 0.46 0.00 0.41 -0.57 0.00 0.00 179.45 179.75 2jwh n GLY 450 N 1.30 1.16 0.31 3.86 0.00 -1.26 -4.38 105.19 106.19 2jwh n GLY 450 Ca -0.03 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 0.22 -0.68 1.61 4.81 -1.97 1.31 114.58 119.89 2jwh h GLU 451 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2jwh h GLU 451 Cb 0.00 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 2jwh h GLU 451 CO 0.00 0.15 0.40 0.87 -0.73 0.00 0.00 179.01 179.70 2jwh h LYS 452 N 0.23 0.75 0.11 1.92 1.57 -2.01 -3.01 116.57 116.14 2jwh h LYS 452 Ca 0.58 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 59.14 2jwh h LYS 452 Cb 1.21 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.36 2jwh h LYS 452 CO -0.65 0.50 -0.84 0.22 -0.57 0.00 0.00 179.45 178.11 2jwh h ASP 453 N 0.77 0.37 0.00 0.86 3.58 -1.06 -3.37 116.42 117.58 2jwh h ASP 453 Ca 0.28 -0.93 -0.51 0.00 0.42 0.00 0.00 57.03 56.29 2jwh h ASP 453 Cb 0.09 -0.12 0.03 0.00 1.72 0.00 0.00 39.33 41.04 2jwh h ASP 453 CO -0.14 1.39 2.55 0.00 -2.88 0.00 0.00 179.24 180.16 2jwh s LYS 455 N 4.01 3.61 0.15 0.00 1.02 -1.22 -4.64 119.74 122.67 2jwh s LYS 455 Ca 0.48 2.03 -0.17 0.00 0.02 0.00 0.00 55.97 58.32 2jwh s LYS 455 Cb 0.12 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 35.03 2jwh s LYS 455 CO 0.02 -0.74 1.73 0.77 -0.92 0.00 0.00 175.35 176.21 2jwh h SER 456 N 2.02 0.02 -0.18 2.83 0.02 -1.87 0.95 113.55 117.33 2jwh h SER 456 Ca -0.50 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 2jwh h SER 456 Cb 1.26 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2jwh h SER 456 CO 0.60 0.04 0.05 1.55 -1.14 0.00 0.00 176.83 177.93 2jwh h PRO 457 N 0.18 0.38 0.23 3.45 0.13 -2.00 -3.00 132.00 131.37 2jwh h PRO 457 Ca 0.15 -0.05 -0.31 0.00 -0.87 0.00 0.00 66.00 64.92 2jwh h PRO 457 Cb 0.16 -0.07 0.04 0.00 0.13 0.00 0.00 31.00 31.26 2jwh h PRO 457 CO -0.20 0.37 -1.34 0.22 -0.23 0.00 0.00 178.00 176.82 2jwh h ASP 458 N 0.37 0.78 -4.08 1.44 1.82 -1.70 -3.47 116.42 111.58 2jwh h ASP 458 Ca 0.09 -0.93 -0.16 0.00 -0.39 0.00 0.00 57.03 55.64 2jwh h ASP 458 Cb 0.18 -0.25 -0.25 0.00 0.68 0.00 0.00 39.33 39.69 2jwh h ASP 458 CO -0.00 1.65 -0.45 0.00 -1.61 0.00 0.00 179.24 178.83 2jwh s LYS 460 N -0.22 4.35 -0.33 0.00 -0.14 1.00 -3.65 119.74 120.75 2jwh s LYS 460 Ca -0.03 1.69 -0.16 0.00 -1.36 0.00 0.00 55.97 56.11 2jwh s LYS 460 Cb -0.03 -3.56 -0.01 0.00 -1.68 0.00 0.00 37.83 32.55 2jwh s LYS 460 CO 0.01 -0.45 0.39 -0.46 -0.76 0.00 0.00 175.35 174.07 2jwh s TRP 461 N 2.23 3.21 -0.18 3.18 -0.11 -1.26 -2.04 118.94 123.97 2jwh s TRP 461 Ca 0.56 0.07 -0.18 0.00 1.22 0.00 0.00 56.10 57.77 2jwh s TRP 461 Cb -0.25 -2.69 -0.22 0.00 -1.50 0.00 0.00 33.47 28.81 2jwh s TRP 461 CO 0.22 -0.42 0.31 0.93 -4.62 0.00 0.00 176.95 173.37 2jwh h GLU 462 N 8.42 0.08 0.00 5.86 4.39 -1.88 -3.48 114.58 127.97 2jwh h GLU 462 Ca -0.30 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2jwh h GLU 462 Cb 1.14 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2jwh h GLU 462 CO 0.70 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 180.02 2jwh n GLY 463 N 1.58 -1.85 1.39 -3.84 0.00 -1.26 -4.95 105.19 96.26 2jwh n GLY 463 Ca -0.30 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.89 3.64 -0.02 0.00 -1.26 -5.06 105.19 103.38 2jwh n GLY 464 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.69 0.00 -0.12 2.61 -1.32 -1.26 -5.01 115.64 107.86 2jwh s THR 465 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2jwh s THR 465 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2jwh s THR 465 CO 0.00 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.51 2jwh n LYS 467 N 2.19 0.13 0.00 0.00 2.85 -0.87 -2.67 118.16 119.80 2jwh n LYS 467 Ca -0.19 -0.37 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 2jwh n LYS 467 Cb 0.54 0.54 0.00 0.00 -0.65 0.00 0.00 35.03 35.46 2jwh n LYS 467 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88