#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 402 N 0.00 3.23 0.02 0.03 1.02 -1.26 -4.73 119.74 118.04 2pvx s LYS 402 Ca 0.00 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.73 2pvx s LYS 402 Cb 0.00 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 2pvx s LYS 402 CO 0.00 -0.17 -0.23 0.15 -0.92 0.00 0.00 175.35 174.18 2pvx s LYS 403 N -4.53 2.00 -0.03 1.68 1.02 -0.53 -1.34 119.74 118.01 2pvx s LYS 403 Ca 0.46 -1.00 0.05 0.00 0.02 0.00 0.00 55.97 55.50 2pvx s LYS 403 Cb -0.10 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 2pvx s LYS 403 CO 0.39 0.54 -0.19 -1.58 -0.92 0.00 0.00 175.35 173.59 2pvx s TRP 404 N -0.80 1.76 -0.05 3.18 0.52 0.20 -0.43 118.94 123.32 2pvx s TRP 404 Ca 0.12 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.90 2pvx s TRP 404 Cb -0.10 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 2pvx s TRP 404 CO 0.02 -0.08 -0.21 0.54 0.02 0.00 0.00 176.95 177.24 2pvx s VAL 405 N -0.30 2.46 -0.17 4.03 0.11 0.23 -0.35 120.40 126.42 2pvx s VAL 405 Ca 0.04 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.86 2pvx s VAL 405 Cb -0.09 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 2pvx s VAL 405 CO 0.00 0.58 1.40 0.00 -3.33 0.00 0.00 175.10 173.75 2pvx n THR 407 N 5.65 0.00 -0.08 0.00 -2.24 -0.29 -0.86 114.28 116.46 2pvx n THR 407 Ca 0.15 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 2pvx n THR 407 Cb 0.45 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 2pvx n THR 407 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 408 N -0.95 1.60 -0.22 2.28 0.31 -1.26 -4.82 118.33 115.27 2pvx n VAL 408 Ca 0.20 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2pvx n VAL 408 Cb 0.09 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2pvx n VAL 408 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 410 N 0.28 0.76 3.71 0.00 0.00 -0.04 -5.03 105.19 104.88 2pvx n GLY 410 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pvx n GLY 410 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 411 N -2.00 2.43 -3.86 1.61 4.19 -1.26 -4.64 117.16 113.63 2pvx n TYR 411 Ca 0.00 0.43 -0.36 0.00 3.31 0.00 0.00 57.90 61.29 2pvx n TYR 411 Cb 0.00 -2.48 -0.12 0.00 0.49 0.00 0.00 39.34 37.23 2pvx n TYR 411 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2pvx s ILE 412 N -0.48 4.46 -0.31 2.97 1.01 -1.26 -0.63 121.20 126.97 2pvx s ILE 412 Ca 0.62 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 2pvx s ILE 412 Cb -0.57 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2pvx s ILE 412 CO 0.55 0.38 0.44 -0.47 0.00 0.00 0.00 174.94 175.83 2pvx s TYR 413 N 1.21 3.22 -0.35 3.97 5.04 0.53 -4.96 117.35 126.01 2pvx s TYR 413 Ca 0.05 0.26 -0.10 0.00 -2.44 0.00 0.00 57.07 54.83 2pvx s TYR 413 Cb -0.14 -2.73 0.01 0.00 0.35 0.00 0.00 41.96 39.45 2pvx s TYR 413 CO 0.03 -0.39 0.18 0.34 -1.34 0.00 0.00 175.55 174.38 2pvx s ASP 414 N 1.69 5.64 0.33 4.32 -1.08 -1.26 -0.62 116.67 125.68 2pvx s ASP 414 Ca 0.16 -0.81 0.05 0.00 -0.52 0.00 0.00 52.55 51.43 2pvx s ASP 414 Cb -0.16 -2.01 0.57 0.00 -1.46 0.00 0.00 42.92 39.87 2pvx s ASP 414 CO 0.11 -0.31 1.83 -0.33 0.52 0.00 0.00 175.17 176.99 2pvx h GLU 415 N 8.39 0.44 -0.45 4.34 5.08 -1.44 0.48 114.58 131.42 2pvx h GLU 415 Ca -0.28 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 2pvx h GLU 415 Cb 1.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2pvx h GLU 415 CO 0.65 0.56 -0.20 -0.44 -1.00 0.00 0.00 179.01 178.58 2pvx h ASP 416 N 0.41 0.95 0.66 1.42 3.32 -1.87 0.11 116.42 121.42 2pvx h ASP 416 Ca 0.08 -0.40 -0.17 0.00 0.02 0.00 0.00 57.03 56.56 2pvx h ASP 416 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2pvx h ASP 416 CO 0.03 1.14 -0.79 0.00 -1.72 0.00 0.00 179.24 177.90 2pvx h ALA 417 N 0.84 0.67 -0.65 3.45 0.00 -1.87 -2.31 119.26 119.41 2pvx h ALA 417 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pvx h ALA 417 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pvx h ALA 417 CO 0.06 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2pvx n GLY 418 N 0.70 3.04 2.70 0.00 0.00 0.13 -3.62 105.19 108.15 2pvx n GLY 418 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 2pvx n GLY 418 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 419 N 2.74 -1.99 0.27 1.61 4.64 0.10 -4.67 116.55 119.24 2pvx n ASP 419 Ca 0.00 -2.69 0.15 0.00 -1.38 0.00 0.00 54.79 50.87 2pvx n ASP 419 Cb 0.00 1.42 0.88 0.00 -1.04 0.00 0.00 41.12 42.38 2pvx n ASP 419 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2pvx h PRO 420 N 3.14 0.00 -0.95 -0.67 0.13 -1.26 0.28 132.00 132.66 2pvx h PRO 420 Ca -0.20 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.08 2pvx h PRO 420 Cb 1.13 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 2pvx h PRO 420 CO 0.07 0.00 0.57 -0.44 -0.23 0.00 0.00 178.00 177.97 2pvx h ASP 421 N 0.00 0.77 -0.40 1.44 5.19 -1.95 -3.21 116.42 118.25 2pvx h ASP 421 Ca 0.03 0.08 -0.25 0.00 -0.62 0.00 0.00 57.03 56.27 2pvx h ASP 421 Cb 0.16 -0.07 -0.16 0.00 0.18 0.00 0.00 39.33 39.45 2pvx h ASP 421 CO -0.00 0.35 -0.21 0.59 -3.12 0.00 0.00 179.24 176.85 2pvx n ASN 422 N -4.74 3.06 0.00 6.45 4.13 0.93 -4.92 115.26 120.17 2pvx n ASN 422 Ca 0.20 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.65 2pvx n ASN 422 Cb 0.44 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 2pvx n ASN 422 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pvx n GLY 423 N -1.05 0.75 3.20 7.41 0.00 -1.20 -5.02 105.19 109.28 2pvx n GLY 423 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2pvx n GLY 423 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 424 N -2.65 3.12 0.51 -0.61 1.01 -0.97 -4.99 121.20 116.62 2pvx s ILE 424 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.16 2pvx s ILE 424 Cb 0.00 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 2pvx s ILE 424 CO 0.00 -0.07 1.21 -0.94 0.00 0.00 0.00 174.94 175.14 2pvx s SER 425 N 1.29 5.78 0.48 3.58 1.04 -1.26 0.00 113.70 124.61 2pvx s SER 425 Ca -0.04 2.41 -0.22 0.00 0.48 0.00 0.00 55.95 58.58 2pvx s SER 425 Cb -0.19 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.23 2pvx s SER 425 CO -0.01 -1.19 0.89 -2.65 0.98 0.00 0.00 173.24 171.26 2pvx n PRO 426 N -0.84 1.06 -0.81 4.02 -0.02 -1.24 -2.83 135.00 134.34 2pvx n PRO 426 Ca 0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2pvx n PRO 426 Cb 0.48 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2pvx n PRO 426 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 427 N 1.35 0.55 3.64 -1.23 0.00 0.36 -4.81 105.19 105.06 2pvx n GLY 427 Ca 0.11 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2pvx n GLY 427 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 428 N -2.00 4.83 0.66 2.61 2.01 -1.04 -4.92 115.64 117.79 2pvx s THR 428 Ca 0.00 1.57 -0.16 0.00 0.31 0.00 0.00 61.69 63.40 2pvx s THR 428 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2pvx s THR 428 CO 0.00 -0.08 1.17 -0.54 -0.69 0.00 0.00 174.62 174.48 2pvx s LYS 429 N 2.85 2.64 0.25 4.92 1.02 -1.26 -4.51 119.74 125.65 2pvx s LYS 429 Ca 0.35 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 57.92 2pvx s LYS 429 Cb -0.15 -1.91 0.32 0.00 -0.52 0.00 0.00 37.83 35.56 2pvx s LYS 429 CO 0.07 -1.42 1.89 0.35 -0.92 0.00 0.00 175.35 175.33 2pvx h PHE 430 N 0.20 1.15 0.00 3.18 -0.00 -1.96 -0.61 116.94 118.89 2pvx h PHE 430 Ca -0.48 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.50 2pvx h PHE 430 Cb 1.28 -0.38 -0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2pvx h PHE 430 CO 0.50 0.65 -0.07 0.93 -0.00 0.00 0.00 178.31 180.32 2pvx h GLU 431 N 1.18 0.00 0.00 1.11 3.07 -2.00 -2.97 114.58 114.97 2pvx h GLU 431 Ca 0.38 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.10 2pvx h GLU 431 Cb 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2pvx h GLU 431 CO -0.13 0.07 -0.68 1.49 -1.40 0.00 0.00 179.01 178.36 2pvx h GLU 432 N 0.00 0.00 -6.82 2.33 4.81 -1.47 -3.46 114.58 109.97 2pvx h GLU 432 Ca -0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 2pvx h GLU 432 Cb 0.12 0.00 0.17 0.00 0.63 0.00 0.00 28.75 29.68 2pvx h GLU 432 CO 0.01 0.68 -0.02 1.28 -0.73 0.00 0.00 179.01 180.23 2pvx n LEU 433 N -3.37 2.90 -4.54 1.64 4.77 -1.06 -4.90 117.00 112.44 2pvx n LEU 433 Ca 0.01 0.70 -0.36 0.00 -0.03 0.00 0.00 56.01 56.33 2pvx n LEU 433 Cb 0.77 -1.35 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 2pvx n LEU 433 CO 0.43 -2.26 0.31 -2.65 -1.33 0.00 0.00 177.39 171.89 2pvx n PRO 434 N -1.24 0.37 0.16 3.23 -0.02 -1.26 -4.88 135.00 131.36 2pvx n PRO 434 Ca 0.13 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 2pvx n PRO 434 Cb 0.49 -2.04 0.51 0.00 -0.02 0.00 0.00 33.50 32.43 2pvx n PRO 434 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 435 N -0.38 0.16 -0.15 2.55 3.32 -1.92 -2.25 116.42 117.74 2pvx h ASP 435 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2pvx h ASP 435 Cb 1.34 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2pvx h ASP 435 CO 0.44 0.20 0.00 -0.90 -1.72 0.00 0.00 179.24 177.26 2pvx n ASP 436 N -4.42 0.98 -4.77 6.45 3.85 -1.26 -4.88 116.55 112.50 2pvx n ASP 436 Ca -0.01 -1.80 -0.39 0.00 -0.71 0.00 0.00 54.79 51.88 2pvx n ASP 436 Cb 0.15 -0.10 -0.01 0.00 -1.35 0.00 0.00 41.12 39.82 2pvx n ASP 436 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 2pvx s TRP 437 N -1.81 2.89 0.15 2.11 -0.00 -0.85 -5.02 118.94 116.41 2pvx s TRP 437 Ca 0.21 1.44 0.02 0.00 -0.00 0.00 0.00 56.10 57.77 2pvx s TRP 437 Cb 0.11 -3.63 -0.04 0.00 -0.00 0.00 0.00 33.47 29.91 2pvx s TRP 437 CO 0.16 -1.93 -0.02 0.14 -0.00 0.00 0.00 176.95 175.29 2pvx s VAL 438 N -1.27 0.72 0.04 5.86 -7.23 -1.26 -4.17 120.40 113.09 2pvx s VAL 438 Ca 0.56 -1.97 -0.34 0.00 -1.81 0.00 0.00 61.98 58.42 2pvx s VAL 438 Cb -0.37 -1.98 -0.13 0.00 0.56 0.00 0.00 36.38 34.47 2pvx s VAL 438 CO 0.48 -0.61 1.75 0.00 -0.31 0.00 0.00 175.10 176.41 2pvx n PRO 440 N 5.17 0.16 -0.12 0.00 -0.04 -1.26 -1.04 135.00 137.88 2pvx n PRO 440 Ca 0.20 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.53 2pvx n PRO 440 Cb 0.30 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 2pvx n PRO 440 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pvx n LEU 441 N -1.38 2.26 -0.00 1.53 4.77 -1.26 -4.77 117.00 118.15 2pvx n LEU 441 Ca 0.08 0.22 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 2pvx n LEU 441 Cb 0.19 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 2pvx n LEU 441 CO 0.17 0.65 -0.03 0.00 -1.33 0.00 0.00 177.39 176.85 2pvx n GLY 443 N 1.18 0.79 3.84 0.00 0.00 -0.20 -4.98 105.19 105.83 2pvx n GLY 443 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pvx n GLY 443 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pvx s VAL 444 N -3.02 4.15 0.92 1.61 -7.23 -1.26 -4.49 120.40 111.08 2pvx s VAL 444 Ca 0.00 0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 60.72 2pvx s VAL 444 Cb 0.00 -3.56 0.17 0.00 0.56 0.00 0.00 36.38 33.55 2pvx s VAL 444 CO 0.00 -0.91 1.27 -0.83 -0.31 0.00 0.00 175.10 174.32 2pvx s GLY 445 N -4.00 1.72 0.59 2.32 0.00 -1.26 -0.41 107.32 106.27 2pvx s GLY 445 Ca 0.57 -1.02 0.32 0.00 0.00 0.00 0.00 44.72 44.58 2pvx s GLY 445 CO 0.54 -0.33 2.23 0.50 0.00 0.00 0.00 173.10 176.03 2pvx h LYS 446 N -1.50 0.00 0.00 2.90 1.57 -1.93 -2.05 116.57 115.56 2pvx h LYS 446 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2pvx h LYS 446 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2pvx h LYS 446 CO 0.46 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 178.97 2pvx n ASP 447 N -3.66 0.00 -1.07 0.86 5.75 -1.26 -1.68 116.55 115.48 2pvx n ASP 447 Ca -0.03 0.40 0.12 0.00 -0.01 0.00 0.00 54.79 55.28 2pvx n ASP 447 Cb 0.12 -0.45 0.20 0.00 -1.03 0.00 0.00 41.12 39.97 2pvx n ASP 447 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pvx n GLN 448 N -1.45 2.42 -3.49 0.11 1.13 -0.77 -4.95 117.38 110.39 2pvx n GLN 448 Ca 0.04 -2.13 -0.27 0.00 -1.94 0.00 0.00 57.00 52.70 2pvx n GLN 448 Cb 0.13 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2pvx n GLN 448 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 449 N -1.65 3.48 0.09 1.08 0.08 -0.68 -1.14 117.98 119.25 2pvx s PHE 449 Ca 0.36 0.46 0.03 0.00 0.12 0.00 0.00 56.93 57.89 2pvx s PHE 449 Cb 0.22 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2pvx s PHE 449 CO 0.31 0.24 -0.09 -1.83 -0.10 0.00 0.00 175.22 173.75 2pvx s GLU 450 N -3.65 0.79 0.10 0.44 -1.05 -0.32 -4.92 118.70 110.09 2pvx s GLU 450 Ca 0.41 -1.15 -0.31 0.00 -0.15 0.00 0.00 54.97 53.77 2pvx s GLU 450 Cb -0.11 -0.39 -0.07 0.00 -0.44 0.00 0.00 34.13 33.12 2pvx s GLU 450 CO 0.31 0.05 1.32 0.21 0.95 0.00 0.00 175.26 178.10 2pvx s LYS 451 N -2.91 4.36 -0.25 -4.83 2.36 -1.26 -0.60 119.74 116.62 2pvx s LYS 451 Ca 0.05 1.97 -0.01 0.00 -2.55 0.00 0.00 55.97 55.44 2pvx s LYS 451 Cb -0.02 -3.28 -0.18 0.00 -1.05 0.00 0.00 37.83 33.31 2pvx s LYS 451 CO -0.01 -0.37 -0.17 -0.11 1.55 0.00 0.00 175.35 176.24 2pvx n LEU 452 N 3.88 2.84 -3.73 5.43 7.94 0.43 -4.84 117.00 128.94 2pvx n LEU 452 Ca 0.10 -0.05 -0.14 0.00 -1.11 0.00 0.00 56.01 54.82 2pvx n LEU 452 Cb 0.44 -0.93 -0.09 0.00 0.53 0.00 0.00 43.42 43.37 2pvx n LEU 452 CO 0.58 0.89 0.08 -0.70 -1.11 0.00 0.00 177.39 177.12 2pvx s GLU 453 N -2.52 0.59 0.00 1.96 2.12 -0.97 -4.96 118.70 114.91 2pvx s GLU 453 Ca -0.34 0.23 0.28 0.00 0.36 0.00 0.00 54.97 55.50 2pvx s GLU 453 Cb 0.09 0.27 1.10 0.00 0.26 0.00 0.00 34.13 35.86 2pvx s GLU 453 CO 0.61 -0.13 1.78 -0.25 -0.54 0.00 0.00 175.26 176.73