#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 0.14 -3.38 2.61 5.66 -1.26 -4.98 114.28 113.07 2jwh n THR 422 Ca 0.00 -0.77 -0.24 0.00 -3.05 0.00 0.00 64.05 59.99 2jwh n THR 422 Cb 0.00 0.81 0.05 0.00 -1.55 0.00 0.00 70.33 69.64 2jwh n THR 422 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2jwh n LYS 423 N -0.18 -5.96 -0.03 1.09 3.00 -1.26 -4.92 118.16 109.90 2jwh n LYS 423 Ca -0.13 0.80 -0.03 0.00 -0.00 0.00 0.00 58.31 58.95 2jwh n LYS 423 Cb 0.87 -5.73 -0.03 0.00 0.00 0.00 0.00 35.03 30.15 2jwh n LYS 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jwh h ALA 424 N 1.00 -0.05 -3.00 3.14 0.00 -1.94 -3.48 119.26 114.94 2jwh h ALA 424 Ca -0.54 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jwh h ALA 424 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jwh h ALA 424 CO 0.58 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 180.21 2jwh n SER 425 N -4.79 0.02 -4.58 0.00 7.64 -1.26 -5.00 113.62 105.65 2jwh n SER 425 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 2jwh n SER 425 Cb 0.10 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2jwh n SER 425 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2jwh s LYS 426 N 3.52 3.30 -0.29 1.43 2.20 -1.26 -4.90 119.74 123.74 2jwh s LYS 426 Ca 0.00 0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 56.25 2jwh s LYS 426 Cb 0.00 -4.15 0.13 0.00 -1.51 0.00 0.00 37.83 32.31 2jwh s LYS 426 CO 0.00 -1.92 0.92 -1.54 -0.36 0.00 0.00 175.35 172.45 2jwh s SER 427 N 5.11 -0.59 0.00 1.43 1.04 -1.26 -5.08 113.70 114.35 2jwh s SER 427 Ca 0.62 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.99 2jwh s SER 427 Cb -0.14 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.21 2jwh s SER 427 CO 0.28 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2jwh n GLY 428 N 3.77 -0.28 3.50 7.32 0.00 -1.26 -4.45 105.19 113.80 2jwh n GLY 428 Ca -0.19 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -0.00 0.23 1.61 0.11 -1.26 -4.51 120.40 116.58 2jwh s VAL 429 Ca 0.00 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2jwh s VAL 429 Cb 0.00 -0.84 0.19 0.00 -1.53 0.00 0.00 36.38 34.20 2jwh s VAL 429 CO 0.00 0.00 1.78 -0.65 -3.33 0.00 0.00 175.10 172.90 2jwh h PRO 430 N 5.78 0.61 -6.82 1.54 0.11 -1.97 -3.47 132.00 127.79 2jwh h PRO 430 Ca -0.30 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.21 2jwh h PRO 430 Cb 1.18 -0.14 -0.13 0.00 0.11 0.00 0.00 31.00 32.03 2jwh h PRO 430 CO 0.15 0.41 -0.94 1.55 -0.21 0.00 0.00 178.00 178.96 2jwh n VAL 431 N -4.85 -2.07 -2.95 3.15 3.14 -1.26 -0.54 118.33 112.95 2jwh n VAL 431 Ca 0.12 -0.52 -0.22 0.00 -2.96 0.00 0.00 64.34 60.76 2jwh n VAL 431 Cb 0.30 -1.84 0.03 0.00 -1.06 0.00 0.00 33.84 31.28 2jwh n VAL 431 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2jwh n THR 432 N -4.53 -1.90 -2.70 1.55 -1.04 -1.26 -4.86 114.28 99.54 2jwh n THR 432 Ca -0.30 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.65 2jwh n THR 432 Cb 0.68 -3.43 0.11 0.00 -1.82 0.00 0.00 70.33 65.87 2jwh n THR 432 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2jwh n GLN 433 N -3.90 1.28 -1.63 -2.82 7.27 0.30 -5.04 117.38 112.84 2jwh n GLN 433 Ca -0.13 -1.97 -0.41 0.00 0.07 0.00 0.00 57.00 54.56 2jwh n GLN 433 Cb 0.63 -0.19 -0.01 0.00 2.41 0.00 0.00 30.24 33.08 2jwh n GLN 433 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2jwh n THR 434 N -0.79 3.60 0.07 1.69 5.66 -1.23 -4.71 114.28 118.57 2jwh n THR 434 Ca -0.05 -2.89 -0.13 0.00 -3.05 0.00 0.00 64.05 57.93 2jwh n THR 434 Cb 0.85 -2.61 -0.08 0.00 -1.55 0.00 0.00 70.33 66.94 2jwh n THR 434 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2jwh h GLN 435 N 5.83 -0.13 -6.02 1.09 1.08 -1.96 -3.47 115.11 111.54 2jwh h GLN 435 Ca 0.63 0.01 -0.42 0.00 -1.45 0.00 0.00 58.65 57.42 2jwh h GLN 435 Cb 0.57 0.03 0.07 0.00 -0.05 0.00 0.00 27.48 28.09 2jwh h GLN 435 CO 1.87 0.08 -0.74 2.41 -0.95 0.00 0.00 178.83 181.49 2jwh n THR 436 N -5.06 -3.35 0.04 -0.54 -1.04 -1.26 -4.91 114.28 98.15 2jwh n THR 436 Ca -0.08 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.55 2jwh n THR 436 Cb 0.15 -3.71 -0.14 0.00 -1.82 0.00 0.00 70.33 64.81 2jwh n THR 436 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwh h ALA 437 N 0.96 0.11 -1.98 2.41 0.00 -1.99 -3.49 119.26 115.28 2jwh h ALA 437 Ca -0.58 -1.02 -0.09 0.00 0.00 0.00 0.00 54.91 53.22 2jwh h ALA 437 Cb 1.37 0.40 0.03 0.00 0.00 0.00 0.00 17.79 19.58 2jwh h ALA 437 CO 0.59 0.79 -0.15 0.41 0.00 0.00 0.00 179.25 180.89 2jwh n GLY 438 N 1.75 0.61 2.58 0.00 0.00 -1.26 -4.95 105.19 103.92 2jwh n GLY 438 Ca -0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.96 2.84 -2.69 4.61 0.00 -1.26 -4.94 120.51 116.11 2jwh n ALA 439 Ca -0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 53.44 51.76 2jwh n ALA 439 Cb 0.51 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 19.21 2jwh n ALA 439 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jwh n ASP 440 N -1.08 0.58 -0.27 0.00 2.03 -1.26 -4.94 116.55 111.61 2jwh n ASP 440 Ca -0.10 -2.68 0.01 0.00 0.52 0.00 0.00 54.79 52.54 2jwh n ASP 440 Cb 0.85 -0.14 0.14 0.00 -0.72 0.00 0.00 41.12 41.25 2jwh n ASP 440 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2jwh h THR 441 N 2.68 0.95 0.00 5.18 2.02 -2.03 -3.45 112.91 118.25 2jwh h THR 441 Ca -0.13 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2jwh h THR 441 Cb 1.20 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jwh h THR 441 CO 0.36 0.14 0.00 0.41 0.37 0.00 0.00 175.52 176.80 2jwh n THR 442 N -4.74 0.00 -2.10 3.16 -1.04 -1.26 -4.37 114.28 103.93 2jwh n THR 442 Ca 0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 2jwh n THR 442 Cb 0.23 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 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 -0.48 -2.68 2.41 0.00 -1.26 -4.77 120.51 113.73 2jwh n ALA 443 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 2jwh n ALA 443 Cb 0.00 -2.04 0.12 0.00 0.00 0.00 0.00 19.45 17.53 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 -2.73 1.24 0.25 0.00 0.28 -1.26 -1.35 120.64 117.07 2jwh n GLU 444 Ca -0.22 -1.38 0.09 0.00 -0.16 0.00 0.00 57.16 55.49 2jwh n GLU 444 Cb 0.66 0.24 0.64 0.00 1.43 0.00 0.00 31.44 34.41 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 1.33 0.00 0.00 3.44 1.79 -1.86 -0.06 116.57 121.21 2jwh h LYS 445 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2jwh h LYS 445 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2jwh h LYS 445 CO -0.14 0.12 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 2jwh n LYS 447 N -1.43 2.72 0.00 0.00 4.81 -0.04 -2.97 118.16 121.25 2jwh n LYS 447 Ca 0.05 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 2jwh n LYS 447 Cb 0.15 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.37 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 3.99 2.47 3.75 3.14 0.00 -1.26 -4.97 105.19 112.31 2jwh n GLY 448 Ca 0.17 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.73 1.19 1.61 1.02 -1.16 -5.04 119.74 122.09 2jwh s LYS 449 Ca 0.00 1.68 -0.17 0.00 0.02 0.00 0.00 55.97 57.50 2jwh s LYS 449 Cb 0.00 -3.23 0.28 0.00 -0.52 0.00 0.00 37.83 34.36 2jwh s LYS 449 CO 0.00 0.33 1.06 0.20 -0.92 0.00 0.00 175.35 176.02 2jwh s GLY 450 N -0.97 1.54 0.33 -3.33 0.00 -1.26 -4.44 107.32 99.19 2jwh s GLY 450 Ca 0.43 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.53 2jwh s GLY 450 CO 0.37 0.17 1.95 -2.09 0.00 0.00 0.00 173.10 173.50 2jwh h GLU 451 N -2.57 0.87 -0.28 2.90 4.22 -1.96 0.71 114.58 118.47 2jwh h GLU 451 Ca -0.50 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 58.79 2jwh h GLU 451 Cb 1.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2jwh h GLU 451 CO 0.42 0.58 -0.21 0.87 -2.18 0.00 0.00 179.01 178.49 2jwh h LYS 452 N 0.90 0.63 -0.24 1.92 1.79 -2.02 -3.22 116.57 116.33 2jwh h LYS 452 Ca 0.33 -0.31 -0.20 0.00 -2.18 0.00 0.00 60.65 58.29 2jwh h LYS 452 Cb 0.16 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2jwh h LYS 452 CO -0.11 0.90 -0.63 -0.44 -1.08 0.00 0.00 179.45 178.09 2jwh h ASP 453 N 0.37 0.98 -0.08 0.86 5.19 -1.71 -3.34 116.42 118.69 2jwh h ASP 453 Ca 0.05 -0.57 -0.65 0.00 -0.62 0.00 0.00 57.03 55.25 2jwh h ASP 453 Cb 0.76 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.99 2jwh h ASP 453 CO 0.06 1.37 2.48 0.00 -3.12 0.00 0.00 179.24 180.02 2jwh s LYS 455 N 4.49 4.24 0.14 0.00 2.47 -1.26 -4.75 119.74 125.07 2jwh s LYS 455 Ca 0.55 2.36 -0.22 0.00 -1.56 0.00 0.00 55.97 57.10 2jwh s LYS 455 Cb 0.13 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.41 2jwh s LYS 455 CO 0.05 -0.47 1.66 0.77 0.16 0.00 0.00 175.35 177.52 2jwh h SER 456 N 4.99 -0.52 -0.22 1.43 0.02 -1.89 0.82 113.55 118.17 2jwh h SER 456 Ca -0.46 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2jwh h SER 456 Cb 1.22 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2jwh h SER 456 CO 0.78 -0.21 0.11 -0.65 -1.14 0.00 0.00 176.83 175.72 2jwh h PRO 457 N -0.18 0.37 0.06 3.45 0.11 -2.01 -2.94 132.00 130.84 2jwh h PRO 457 Ca 0.11 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 2jwh h PRO 457 Cb 0.35 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.40 2jwh h PRO 457 CO -0.29 0.30 -0.65 0.22 -0.21 0.00 0.00 178.00 177.37 2jwh h ASP 458 N 0.37 0.47 -4.70 -2.05 3.58 -1.69 -3.47 116.42 108.93 2jwh h ASP 458 Ca 0.09 -0.84 -0.12 0.00 0.42 0.00 0.00 57.03 56.58 2jwh h ASP 458 Cb 0.07 -0.15 -0.21 0.00 1.72 0.00 0.00 39.33 40.76 2jwh h ASP 458 CO -0.01 1.27 -0.28 0.00 -2.88 0.00 0.00 179.24 177.34 2jwh s LYS 460 N -0.95 4.54 -0.19 0.00 -0.14 0.23 -3.68 119.74 119.54 2jwh s LYS 460 Ca -0.10 1.47 -0.05 0.00 -1.36 0.00 0.00 55.97 55.92 2jwh s LYS 460 Cb -0.04 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 2jwh s LYS 460 CO 0.03 -0.09 0.01 -0.46 -0.76 0.00 0.00 175.35 174.08 2jwh s TRP 461 N 1.05 3.07 0.00 3.18 -0.11 -1.26 -0.01 118.94 124.85 2jwh s TRP 461 Ca 0.53 -0.36 0.00 0.00 1.22 0.00 0.00 56.10 57.49 2jwh s TRP 461 Cb -0.22 -2.07 0.00 0.00 -1.50 0.00 0.00 33.47 29.67 2jwh s TRP 461 CO 0.28 -0.16 0.00 -1.91 -4.62 0.00 0.00 176.95 170.53 2jwh n GLU 462 N 4.09 0.54 0.10 5.86 4.07 -0.32 -4.98 120.64 130.00 2jwh n GLU 462 Ca -0.17 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.70 2jwh n GLU 462 Cb 0.52 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.75 2jwh n GLU 462 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2jwh h GLY 463 N 0.00 0.50 -5.01 8.31 0.00 -2.03 -3.42 103.07 101.41 2jwh h GLY 463 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 47.33 45.86 2jwh h GLY 463 CO 0.00 1.11 -0.35 0.61 0.00 0.00 0.00 176.54 177.91 2jwh n GLY 464 N 1.76 1.66 3.64 4.60 0.00 -1.26 -5.12 105.19 110.47 2jwh n GLY 464 Ca -0.20 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 0.17 2.61 -1.32 -1.26 -5.08 115.64 110.76 2jwh s THR 465 Ca 0.17 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.51 2jwh s THR 465 Cb 0.42 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 70.34 2jwh s THR 465 CO -0.10 0.00 0.56 0.00 -2.21 0.00 0.00 174.62 172.87 2jwh s LYS 467 N -2.13 0.80 0.00 0.00 -2.85 0.98 -2.90 119.74 113.64 2jwh s LYS 467 Ca 0.40 -1.06 0.26 0.00 -1.00 0.00 0.00 55.97 54.57 2jwh s LYS 467 Cb -0.14 0.31 1.56 0.00 -2.06 0.00 0.00 37.83 37.50 2jwh s LYS 467 CO 0.19 -0.23 1.92 -0.25 0.10 0.00 0.00 175.35 177.08