#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwh h THR 422 N 0.00 1.28 -3.78 2.61 1.35 -2.10 -3.43 112.91 108.84 2jwh h THR 422 Ca 0.00 -0.91 -0.50 0.00 -0.55 0.00 0.00 66.41 64.45 2jwh h THR 422 Cb 0.00 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2jwh h THR 422 CO 0.00 0.26 0.46 -0.54 -0.25 0.00 0.00 175.52 175.44 2jwh s LYS 423 N -4.79 4.67 -0.85 4.72 1.02 -1.26 -4.91 119.74 118.34 2jwh s LYS 423 Ca -0.15 1.76 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 2jwh s LYS 423 Cb 0.05 -3.21 -0.11 0.00 -0.52 0.00 0.00 37.83 34.03 2jwh s LYS 423 CO 0.70 0.24 2.64 0.00 -0.92 0.00 0.00 175.35 178.02 2jwh n ALA 424 N 1.31 5.77 -1.99 5.17 0.00 -1.26 -4.92 120.51 124.60 2jwh n ALA 424 Ca -0.01 -2.30 -0.42 0.00 0.00 0.00 0.00 53.44 50.72 2jwh n ALA 424 Cb 0.45 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 2jwh n ALA 424 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jwh s SER 425 N 2.63 6.72 -0.02 0.00 0.01 -1.26 -4.94 113.70 116.84 2jwh s SER 425 Ca 0.53 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 60.01 2jwh s SER 425 Cb 0.17 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2jwh s SER 425 CO -0.03 -0.69 1.41 -1.59 0.41 0.00 0.00 173.24 172.75 2jwh s LYS 426 N 0.43 4.27 0.00 12.44 -2.85 -1.26 -5.01 119.74 127.76 2jwh s LYS 426 Ca 0.63 1.95 0.00 0.00 -1.00 0.00 0.00 55.97 57.55 2jwh s LYS 426 Cb -0.40 -3.63 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 2jwh s LYS 426 CO 0.36 -0.61 0.00 0.45 0.10 0.00 0.00 175.35 175.65 2jwh n SER 427 N 5.63 0.00 -4.60 0.03 2.88 -1.26 -4.95 113.62 111.35 2jwh n SER 427 Ca 0.14 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.25 2jwh n SER 427 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 2jwh n SER 427 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jwh s GLY 428 N 0.00 0.97 0.22 0.46 0.00 -1.26 -4.93 107.32 102.78 2jwh s GLY 428 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.55 2jwh s GLY 428 CO 0.00 3.04 1.58 -1.34 0.00 0.00 0.00 173.10 176.38 2jwh s VAL 429 N 6.10 2.39 0.25 1.40 -7.23 -1.26 -4.95 120.40 117.10 2jwh s VAL 429 Ca 0.72 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.89 2jwh s VAL 429 Cb -0.19 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.46 2jwh s VAL 429 CO 0.33 0.03 1.23 -2.16 -0.31 0.00 0.00 175.10 174.22 2jwh s PRO 430 N 0.44 4.47 0.53 4.82 0.04 -1.26 -5.01 135.00 139.03 2jwh s PRO 430 Ca 0.67 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.49 2jwh s PRO 430 Cb -0.45 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 2jwh s PRO 430 CO 0.38 -0.08 1.20 0.14 0.04 0.00 0.00 177.00 178.68 2jwh s VAL 431 N -0.58 2.80 0.30 -0.36 -7.23 -1.26 -4.93 120.40 109.14 2jwh s VAL 431 Ca 0.51 0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 60.93 2jwh s VAL 431 Cb -0.35 -3.25 -0.12 0.00 0.56 0.00 0.00 36.38 33.22 2jwh s VAL 431 CO 0.42 -0.06 1.43 1.07 -0.31 0.00 0.00 175.10 177.65 2jwh n THR 432 N -1.08 1.43 -1.71 5.32 5.66 -1.26 -4.86 114.28 117.79 2jwh n THR 432 Ca 0.11 -0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 60.32 2jwh n THR 432 Cb 0.49 -1.69 -0.03 0.00 -1.55 0.00 0.00 70.33 67.54 2jwh n THR 432 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jwh n GLN 433 N 1.39 2.66 -4.11 1.09 6.02 -1.26 -4.99 117.38 118.18 2jwh n GLN 433 Ca 0.07 0.96 -0.15 0.00 -0.01 0.00 0.00 57.00 57.87 2jwh n GLN 433 Cb 0.35 -2.80 -0.14 0.00 1.02 0.00 0.00 30.24 28.67 2jwh n GLN 433 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2jwh s THR 434 N 1.35 0.34 0.12 5.09 2.01 -1.26 -5.07 115.64 118.22 2jwh s THR 434 Ca 0.77 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 2jwh s THR 434 Cb -0.54 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 2jwh s THR 434 CO 0.34 0.10 1.59 1.56 -0.69 0.00 0.00 174.62 177.52 2jwh h GLN 435 N 6.13 -0.58 0.00 4.92 4.20 -2.04 -3.42 115.11 124.32 2jwh h GLN 435 Ca -0.28 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 2jwh h GLN 435 Cb 1.19 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.98 2jwh h GLN 435 CO 0.50 -0.38 -0.04 -2.37 -0.67 0.00 0.00 178.83 175.87 2jwh n THR 436 N -5.45 0.00 0.00 -0.54 5.66 -1.26 -5.04 114.28 107.64 2jwh n THR 436 Ca -0.06 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2jwh n THR 436 Cb 0.37 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 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 1.14 0.00 -0.55 1.79 0.00 -1.26 -1.83 120.51 119.80 2jwh n ALA 437 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2jwh n ALA 437 Cb 0.72 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.20 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 3.39 0.86 0.00 0.00 -1.26 -4.93 105.19 103.25 2jwh n GLY 438 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.60 -1.79 -0.76 4.61 0.00 -0.76 -4.64 120.51 117.78 2jwh n ALA 439 Ca 0.19 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 2jwh n ALA 439 Cb 0.61 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.89 5.68 -0.20 0.00 8.00 -1.26 -4.20 116.55 123.68 2jwh n ASP 440 Ca 0.00 -2.64 -0.08 0.00 0.71 0.00 0.00 54.79 52.78 2jwh n ASP 440 Cb 0.00 -1.17 0.02 0.00 -0.02 0.00 0.00 41.12 39.95 2jwh n ASP 440 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jwh h THR 441 N 1.26 1.25 -3.33 -3.53 1.35 -1.95 -3.40 112.91 104.56 2jwh h THR 441 Ca 0.13 -0.92 -0.52 0.00 -0.55 0.00 0.00 66.41 64.55 2jwh h THR 441 Cb 1.05 0.74 0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2jwh h THR 441 CO 0.29 0.34 0.63 -0.89 -0.25 0.00 0.00 175.52 175.63 2jwh s THR 442 N -5.27 3.43 0.39 6.82 2.01 -1.26 -4.97 115.64 116.79 2jwh s THR 442 Ca -0.12 1.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.74 2jwh s THR 442 Cb 0.13 -3.73 -0.11 0.00 0.01 0.00 0.00 72.50 68.80 2jwh s THR 442 CO 0.82 0.15 1.42 0.00 -0.69 0.00 0.00 174.62 176.32 2jwh n ALA 443 N 2.97 2.02 0.97 7.40 0.00 -1.26 -4.67 120.51 127.94 2jwh n ALA 443 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jwh n ALA 443 Cb 0.44 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 0.31 0.97 0.05 0.00 4.71 -1.26 -2.23 120.64 123.19 2jwh n GLU 444 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.11 2jwh n GLU 444 Cb 0.39 -1.11 0.09 0.00 -1.01 0.00 0.00 31.44 29.79 2jwh n GLU 444 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2jwh h LYS 445 N 0.06 0.36 0.00 3.49 1.57 -1.96 -3.36 116.57 116.73 2jwh h LYS 445 Ca 0.00 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.38 2jwh h LYS 445 Cb 0.87 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2jwh h LYS 445 CO 0.00 0.86 -1.52 0.00 -0.57 0.00 0.00 179.45 178.22 2jwh n LYS 447 N -3.40 -4.43 -0.70 0.00 4.81 -0.95 -4.44 118.16 109.06 2jwh n LYS 447 Ca -0.18 3.36 -0.11 0.00 -0.87 0.00 0.00 58.31 60.51 2jwh n LYS 447 Cb 0.63 -4.01 -0.09 0.00 0.02 0.00 0.00 35.03 31.58 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 -1.75 2.51 0.00 3.14 0.00 -1.25 -3.52 105.19 104.31 2jwh n GLY 448 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2jwh n GLY 448 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jwh n LYS 449 N 2.93 2.34 -2.51 1.61 5.02 -1.26 -4.76 118.16 121.53 2jwh n LYS 449 Ca 0.33 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.31 2jwh n LYS 449 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.51 2jwh n LYS 449 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jwh s GLY 450 N -0.22 1.88 0.19 0.72 0.00 -1.26 -4.73 107.32 103.89 2jwh s GLY 450 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.53 2jwh s GLY 450 CO 0.00 0.13 1.75 -2.09 0.00 0.00 0.00 173.10 172.89 2jwh h GLU 451 N 0.74 1.07 -0.18 2.90 4.81 -1.96 0.27 114.58 122.23 2jwh h GLU 451 Ca -0.46 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 58.44 2jwh h GLU 451 Cb 1.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2jwh h GLU 451 CO 0.62 0.89 -0.39 0.87 -0.73 0.00 0.00 179.01 180.27 2jwh h LYS 452 N 1.01 0.40 0.09 1.92 1.57 -2.03 -3.11 116.57 116.41 2jwh h LYS 452 Ca 0.23 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jwh h LYS 452 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2jwh h LYS 452 CO -0.02 0.73 -0.04 0.22 -0.57 0.00 0.00 179.45 179.77 2jwh h ASP 453 N 0.33 -0.10 -2.13 0.86 1.82 -1.86 -3.43 116.42 111.90 2jwh h ASP 453 Ca 0.03 -0.42 -0.61 0.00 -0.39 0.00 0.00 57.03 55.65 2jwh h ASP 453 Cb 0.84 0.03 0.06 0.00 0.68 0.00 0.00 39.33 40.93 2jwh h ASP 453 CO 0.07 0.40 0.72 0.00 -1.61 0.00 0.00 179.24 178.82 2jwh s LYS 455 N 0.86 3.98 0.07 0.00 3.01 -1.26 -4.86 119.74 121.53 2jwh s LYS 455 Ca 0.80 0.70 -0.20 0.00 -1.01 0.00 0.00 55.97 56.26 2jwh s LYS 455 Cb -0.74 -3.74 -0.11 0.00 -1.01 0.00 0.00 37.83 32.23 2jwh s LYS 455 CO 0.40 -0.75 1.51 0.77 0.51 0.00 0.00 175.35 177.80 2jwh h SER 456 N 8.13 0.32 -0.88 2.83 0.02 -1.87 0.63 113.55 122.72 2jwh h SER 456 Ca -0.23 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 2jwh h SER 456 Cb 1.09 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 2jwh h SER 456 CO 0.92 0.53 0.58 1.55 -1.14 0.00 0.00 176.83 179.28 2jwh h PRO 457 N 0.09 1.01 0.01 3.45 0.13 -2.02 -2.95 132.00 131.72 2jwh h PRO 457 Ca 0.05 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 2jwh h PRO 457 Cb 0.37 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2jwh h PRO 457 CO 0.01 0.67 -0.20 0.22 -0.23 0.00 0.00 178.00 178.46 2jwh h ASP 458 N 1.04 0.16 -4.23 1.44 3.58 -1.95 -3.46 116.42 113.00 2jwh h ASP 458 Ca 0.37 -0.83 -0.45 0.00 0.42 0.00 0.00 57.03 56.54 2jwh h ASP 458 Cb 0.13 -0.05 -0.27 0.00 1.72 0.00 0.00 39.33 40.86 2jwh h ASP 458 CO -0.13 0.97 -0.80 0.00 -2.88 0.00 0.00 179.24 176.41 2jwh s LYS 460 N -0.66 4.59 -0.27 0.00 2.20 0.41 -3.74 119.74 122.27 2jwh s LYS 460 Ca 0.03 1.63 -0.09 0.00 -0.36 0.00 0.00 55.97 57.17 2jwh s LYS 460 Cb -0.06 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2jwh s LYS 460 CO 0.00 0.05 0.13 -0.46 -0.36 0.00 0.00 175.35 174.71 2jwh s TRP 461 N 0.16 3.16 -0.19 4.03 -0.11 -1.26 -0.65 118.94 124.08 2jwh s TRP 461 Ca 0.50 -0.15 -0.27 0.00 1.22 0.00 0.00 56.10 57.40 2jwh s TRP 461 Cb -0.27 -2.31 0.07 0.00 -1.50 0.00 0.00 33.47 29.46 2jwh s TRP 461 CO 0.32 -0.26 0.70 -1.83 -4.62 0.00 0.00 176.95 171.26 2jwh s GLU 462 N 1.69 0.92 -1.61 5.86 -1.05 -0.65 -4.92 118.70 118.94 2jwh s GLU 462 Ca 0.07 0.72 -0.02 0.00 -0.15 0.00 0.00 54.97 55.59 2jwh s GLU 462 Cb -0.16 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2jwh s GLU 462 CO 0.07 -0.18 0.24 0.41 0.95 0.00 0.00 175.26 176.75 2jwh n GLY 463 N 2.04 -0.45 3.23 -3.83 0.00 -1.26 -2.39 105.19 102.53 2jwh n GLY 463 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.21 -0.30 3.56 -0.02 0.00 -1.26 -5.01 105.19 100.94 2jwh n GLY 464 Ca -0.18 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 0.00 -0.26 2.61 -1.32 -1.00 -4.92 115.64 107.47 2jwh s THR 465 Ca 0.41 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.76 2jwh s THR 465 Cb -0.18 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.77 2jwh s THR 465 CO 0.62 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 173.32 2jwh s LYS 467 N 1.75 0.68 0.00 0.00 1.02 0.18 -3.26 119.74 120.11 2jwh s LYS 467 Ca 0.12 -0.40 0.26 0.00 0.02 0.00 0.00 55.97 55.96 2jwh s LYS 467 Cb -0.15 -0.63 1.53 0.00 -0.52 0.00 0.00 37.83 38.05 2jwh s LYS 467 CO 0.09 0.17 1.89 -0.40 -0.92 0.00 0.00 175.35 176.18