#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 1.12 -0.52 2.61 1.03 -2.10 -3.36 112.91 111.69 2jwh h THR 422 Ca 0.00 -2.76 -0.47 0.00 -0.01 0.00 0.00 66.41 63.18 2jwh h THR 422 Cb 0.00 2.75 -0.09 0.00 -1.07 0.00 0.00 68.15 69.74 2jwh h THR 422 CO 0.00 0.82 1.11 1.17 -0.01 0.00 0.00 175.52 178.60 2jwh n LYS 423 N -3.46 2.88 -3.67 0.00 4.81 -1.26 -4.89 118.16 112.57 2jwh n LYS 423 Ca -0.17 -2.05 -0.37 0.00 -0.87 0.00 0.00 58.31 54.85 2jwh n LYS 423 Cb 1.05 -2.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.70 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jwh s ALA 424 N 0.03 3.52 -1.42 3.14 0.00 -1.26 -4.40 121.76 121.37 2jwh s ALA 424 Ca 0.63 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 2jwh s ALA 424 Cb 0.29 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 21.11 2jwh s ALA 424 CO -0.09 -0.32 1.04 0.45 0.00 0.00 0.00 175.76 176.84 2jwh n SER 425 N 4.56 -6.06 0.00 0.00 2.88 -1.26 -4.89 113.62 108.85 2jwh n SER 425 Ca -0.15 -0.53 -0.11 0.00 -1.33 0.00 0.00 58.87 56.75 2jwh n SER 425 Cb 0.52 -4.80 -0.14 0.00 -0.75 0.00 0.00 64.21 59.04 2jwh n SER 425 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jwh h LYS 426 N -2.36 0.06 -1.64 -1.46 1.79 -1.92 -3.51 116.57 107.54 2jwh h LYS 426 Ca -0.56 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 2jwh h LYS 426 Cb 1.37 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 2jwh h LYS 426 CO 0.58 0.72 -0.41 0.45 -1.08 0.00 0.00 179.45 179.70 2jwh n SER 427 N -3.18 -4.00 0.33 0.86 2.88 -1.26 -4.86 113.62 104.38 2jwh n SER 427 Ca -0.16 0.69 -0.15 0.00 -1.33 0.00 0.00 58.87 57.93 2jwh n SER 427 Cb 1.03 -1.62 -0.07 0.00 -0.75 0.00 0.00 64.21 62.80 2jwh n SER 427 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jwh h GLY 428 N 0.38 -0.92 -6.75 0.46 0.00 -2.02 -3.45 103.07 90.78 2jwh h GLY 428 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 47.33 47.40 2jwh h GLY 428 CO 0.00 -0.33 -0.61 0.14 0.00 0.00 0.00 176.54 175.74 2jwh s VAL 429 N -4.78 -0.27 0.08 4.60 1.01 -1.26 -5.13 120.40 114.65 2jwh s VAL 429 Ca -0.14 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 2jwh s VAL 429 Cb 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 2jwh s VAL 429 CO 0.46 0.13 1.40 -2.16 0.00 0.00 0.00 175.10 174.93 2jwh s PRO 430 N 2.19 4.31 0.16 2.72 0.04 -1.26 -4.94 135.00 138.22 2jwh s PRO 430 Ca 0.01 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 2jwh s PRO 430 Cb -0.12 -3.37 -0.11 0.00 0.04 0.00 0.00 34.50 30.95 2jwh s PRO 430 CO -0.06 -0.49 1.72 0.14 0.04 0.00 0.00 177.00 178.35 2jwh s VAL 431 N 1.56 2.41 -0.13 -0.36 -7.23 -1.26 -4.91 120.40 110.48 2jwh s VAL 431 Ca 0.65 0.15 -0.17 0.00 -1.81 0.00 0.00 61.98 60.80 2jwh s VAL 431 Cb -0.35 -3.10 -0.25 0.00 0.56 0.00 0.00 36.38 33.24 2jwh s VAL 431 CO 0.29 0.01 0.45 0.71 -0.31 0.00 0.00 175.10 176.25 2jwh h THR 432 N 4.24 0.98 -0.05 5.32 1.35 -2.06 -3.49 112.91 119.20 2jwh h THR 432 Ca -0.44 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 2jwh h THR 432 Cb 1.21 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 2jwh h THR 432 CO 0.94 0.63 0.00 0.00 -0.25 0.00 0.00 175.52 176.84 2jwh n GLN 433 N -4.03 0.74 -2.73 4.72 6.02 -1.26 -5.12 117.38 115.72 2jwh n GLN 433 Ca -0.27 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.30 2jwh n GLN 433 Cb 0.84 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.07 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 2.17 4.76 0.79 5.09 2.01 -1.26 -5.03 115.64 124.17 2jwh s THR 434 Ca 0.00 2.03 -0.11 0.00 0.31 0.00 0.00 61.69 63.93 2jwh s THR 434 Cb 0.00 -4.31 0.07 0.00 0.01 0.00 0.00 72.50 68.27 2jwh s THR 434 CO 0.00 0.22 1.10 0.00 -0.69 0.00 0.00 174.62 175.25 2jwh s GLN 435 N 0.66 2.09 0.27 4.92 -2.07 -1.26 -4.94 119.66 119.33 2jwh s GLN 435 Ca 0.50 1.25 -0.30 0.00 -1.82 0.00 0.00 55.36 54.98 2jwh s GLN 435 Cb -0.22 -1.87 -0.13 0.00 -1.09 0.00 0.00 33.01 29.70 2jwh s GLN 435 CO 0.28 -1.78 1.41 0.25 -1.32 0.00 0.00 175.29 174.13 2jwh n THR 436 N -3.56 1.20 -0.03 3.63 -2.24 -1.26 -4.93 114.28 107.08 2jwh n THR 436 Ca 0.10 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 2jwh n THR 436 Cb 0.53 -1.57 -0.10 0.00 -2.10 0.00 0.00 70.33 67.09 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwh h ALA 437 N 3.92 0.07 0.00 6.98 0.00 -1.94 -3.48 119.26 124.81 2jwh h ALA 437 Ca -0.46 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2jwh h ALA 437 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jwh h ALA 437 CO 0.73 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2jwh n GLY 438 N 0.75 -0.59 2.92 0.00 0.00 -1.26 -5.11 105.19 101.90 2jwh n GLY 438 Ca -0.09 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2jwh n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwh s ALA 439 N -2.00 1.24 0.05 4.61 0.00 -1.26 -5.11 121.76 119.29 2jwh s ALA 439 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 2jwh s ALA 439 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2jwh s ALA 439 CO 0.00 -0.31 1.30 0.34 0.00 0.00 0.00 175.76 177.09 2jwh s ASP 440 N 1.50 6.95 -0.30 0.00 -1.08 -1.26 -4.89 116.67 117.59 2jwh s ASP 440 Ca 0.01 2.11 -0.14 0.00 -0.52 0.00 0.00 52.55 54.00 2jwh s ASP 440 Cb -0.13 -2.57 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 2jwh s ASP 440 CO -0.06 -0.59 0.93 0.28 0.52 0.00 0.00 175.17 176.25 2jwh s THR 441 N 1.51 -0.58 0.00 1.71 -1.32 -1.26 -5.02 115.64 110.69 2jwh s THR 441 Ca 0.61 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2jwh s THR 441 Cb -0.31 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 2jwh s THR 441 CO 0.28 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 173.10 2jwh n THR 442 N 5.03 0.00 0.00 5.08 -1.04 -1.26 -1.68 114.28 120.41 2jwh n THR 442 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2jwh n THR 442 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2jwh n THR 442 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh n ALA 443 N 0.00 0.00 -2.70 2.41 0.00 -1.26 -4.94 120.51 114.02 2jwh n ALA 443 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2jwh n ALA 443 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.32 1.31 0.00 0.00 2.13 -1.20 -4.98 120.64 116.58 2jwh n GLU 444 Ca 0.00 -1.94 0.00 0.00 0.66 0.00 0.00 57.16 55.88 2jwh n GLU 444 Cb 0.00 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 31.54 2jwh n GLU 444 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jwh n LYS 445 N -0.89 0.00 0.00 5.31 5.02 -0.68 -1.56 118.16 125.36 2jwh n LYS 445 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2jwh n LYS 445 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.86 2jwh n LYS 445 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jwh s LYS 447 N 0.00 4.20 0.00 0.00 2.20 -0.60 -3.68 119.74 121.86 2jwh s LYS 447 Ca 0.00 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 2jwh s LYS 447 Cb 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2jwh s LYS 447 CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2jwh n GLY 448 N 3.13 4.44 3.77 5.54 0.00 -1.26 -4.92 105.19 115.89 2jwh n GLY 448 Ca 0.11 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 3.90 0.92 1.61 -0.14 -1.24 -5.02 119.74 119.77 2jwh s LYS 449 Ca 0.00 2.05 -0.12 0.00 -1.36 0.00 0.00 55.97 56.54 2jwh s LYS 449 Cb 0.00 -2.66 0.14 0.00 -1.68 0.00 0.00 37.83 33.63 2jwh s LYS 449 CO 0.00 -0.51 1.09 0.20 -0.76 0.00 0.00 175.35 175.37 2jwh s GLY 450 N -0.91 1.61 0.10 -3.33 0.00 -1.26 -4.47 107.32 99.06 2jwh s GLY 450 Ca 0.59 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.87 2jwh s GLY 450 CO 0.45 0.39 1.61 1.05 0.00 0.00 0.00 173.10 176.59 2jwh h GLU 451 N -1.63 -0.67 -0.21 2.90 9.09 -1.95 0.59 114.58 122.70 2jwh h GLU 451 Ca -0.51 0.05 -0.17 0.00 0.05 0.00 0.00 59.36 58.78 2jwh h GLU 451 Cb 1.29 0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 28.54 2jwh h GLU 451 CO 0.55 -0.45 -0.55 0.87 0.05 0.00 0.00 179.01 179.49 2jwh h LYS 452 N -0.70 0.63 -0.32 1.06 6.56 -2.05 -3.11 116.57 118.65 2jwh h LYS 452 Ca -0.01 -0.40 -0.04 0.00 -1.06 0.00 0.00 60.65 59.14 2jwh h LYS 452 Cb 0.66 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 2jwh h LYS 452 CO -0.12 1.02 0.01 0.22 -2.06 0.00 0.00 179.45 178.51 2jwh h ASP 453 N 0.49 0.45 -2.03 0.86 3.58 -1.85 -3.42 116.42 114.50 2jwh h ASP 453 Ca 0.01 -0.08 -0.58 0.00 0.42 0.00 0.00 57.03 56.80 2jwh h ASP 453 Cb 1.11 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.05 2jwh h ASP 453 CO 0.11 0.51 1.31 0.00 -2.88 0.00 0.00 179.24 178.29 2jwh s LYS 455 N 5.21 4.43 0.07 0.00 1.02 -1.26 -4.93 119.74 124.28 2jwh s LYS 455 Ca 0.96 1.04 -0.30 0.00 0.02 0.00 0.00 55.97 57.69 2jwh s LYS 455 Cb -0.50 -3.49 -0.18 0.00 -0.52 0.00 0.00 37.83 33.15 2jwh s LYS 455 CO 0.43 -0.07 1.65 0.77 -0.92 0.00 0.00 175.35 177.20 2jwh h SER 456 N 6.93 -0.52 -0.48 2.83 0.02 -1.92 0.63 113.55 121.03 2jwh h SER 456 Ca -0.38 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2jwh h SER 456 Cb 1.18 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 2jwh h SER 456 CO 0.78 -0.36 0.32 -0.65 -1.14 0.00 0.00 176.83 175.78 2jwh h PRO 457 N -0.63 0.39 0.01 3.45 0.11 -2.03 -2.58 132.00 130.73 2jwh h PRO 457 Ca -0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 2jwh h PRO 457 Cb 0.48 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2jwh h PRO 457 CO 0.10 0.26 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.61 2jwh h ASP 458 N 0.40 0.08 -3.64 -2.05 3.32 -1.93 -3.47 116.42 109.13 2jwh h ASP 458 Ca 0.21 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.30 2jwh h ASP 458 Cb 0.32 -0.02 -0.25 0.00 0.22 0.00 0.00 39.33 39.60 2jwh h ASP 458 CO -0.05 0.92 -0.25 0.00 -1.72 0.00 0.00 179.24 178.14 2jwh s LYS 460 N 0.65 4.38 -0.28 0.00 2.20 0.77 -3.58 119.74 123.88 2jwh s LYS 460 Ca -0.03 0.95 -0.23 0.00 -0.36 0.00 0.00 55.97 56.30 2jwh s LYS 460 Cb -0.05 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2jwh s LYS 460 CO -0.04 0.55 0.74 -0.46 -0.36 0.00 0.00 175.35 175.78 2jwh s TRP 461 N -1.22 3.24 -0.14 4.03 -0.11 -1.26 -1.41 118.94 122.06 2jwh s TRP 461 Ca 0.35 0.84 -0.09 0.00 1.22 0.00 0.00 56.10 58.42 2jwh s TRP 461 Cb -0.20 -3.08 0.05 0.00 -1.50 0.00 0.00 33.47 28.73 2jwh s TRP 461 CO 0.23 -0.48 0.35 -1.21 -4.62 0.00 0.00 176.95 171.22 2jwh s GLU 462 N 2.80 0.34 -1.45 5.86 2.02 -0.49 -4.90 118.70 122.88 2jwh s GLU 462 Ca 0.31 0.64 -0.08 0.00 0.02 0.00 0.00 54.97 55.86 2jwh s GLU 462 Cb -0.15 -0.00 0.02 0.00 0.10 0.00 0.00 34.13 34.10 2jwh s GLU 462 CO 0.11 -0.13 0.93 0.41 0.02 0.00 0.00 175.26 176.60 2jwh n GLY 463 N 3.94 -0.54 3.26 -1.39 0.00 -1.26 -1.88 105.19 107.33 2jwh n GLY 463 Ca -0.22 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 -0.41 3.24 -0.02 0.00 -1.26 -5.00 105.19 99.95 2jwh n GLY 464 Ca -0.04 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.24 -0.12 -0.05 2.61 2.01 -0.79 -5.01 115.64 111.05 2jwh s THR 465 Ca 0.46 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 2jwh s THR 465 Cb -0.20 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2jwh s THR 465 CO 0.57 0.05 1.08 0.00 -0.69 0.00 0.00 174.62 175.62 2jwh s LYS 467 N 1.79 0.71 0.00 0.00 -2.85 -0.50 -1.56 119.74 117.33 2jwh s LYS 467 Ca 0.52 0.21 0.22 0.00 -1.00 0.00 0.00 55.97 55.92 2jwh s LYS 467 Cb -0.22 0.34 1.31 0.00 -2.06 0.00 0.00 37.83 37.20 2jwh s LYS 467 CO 0.22 -0.21 1.69 -3.47 0.10 0.00 0.00 175.35 173.67