#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub4 s HIS 403 N 0.00 3.45 0.00 1.39 3.76 -1.26 -5.07 115.29 117.56 1ub4 s HIS 403 Ca 0.00 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1ub4 s HIS 403 Cb 0.00 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1ub4 s HIS 403 CO 0.00 0.28 0.00 0.45 -0.85 0.00 0.00 174.74 174.62 1ub4 n SER 404 N 3.47 0.50 -3.73 1.40 2.88 -1.26 -5.07 113.62 111.82 1ub4 n SER 404 Ca -0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.31 1ub4 n SER 404 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1ub4 n SER 404 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ub4 s SER 405 N 1.00 -0.28 -0.19 -3.46 1.04 -1.26 -5.07 113.70 105.48 1ub4 s SER 405 Ca 0.00 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1ub4 s SER 405 Cb 0.00 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 1ub4 s SER 405 CO 0.00 -1.07 -0.02 -0.69 0.98 0.00 0.00 173.24 172.44 1ub4 s VAL 406 N -3.87 3.77 0.21 5.02 1.01 -1.26 -3.52 120.40 121.75 1ub4 s VAL 406 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ub4 s VAL 406 Cb -0.01 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1ub4 s VAL 406 CO -0.02 0.44 0.09 -0.54 0.00 0.00 0.00 175.10 175.07 1ub4 s LYS 407 N 0.95 1.22 -0.36 2.72 1.02 -0.42 -4.91 119.74 119.97 1ub4 s LYS 407 Ca 0.01 -1.64 -0.22 0.00 0.02 0.00 0.00 55.97 54.14 1ub4 s LYS 407 Cb -0.14 -0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.16 1ub4 s LYS 407 CO 0.01 -0.30 0.73 0.50 -0.92 0.00 0.00 175.35 175.37 1ub4 s ARG 408 N -4.06 3.74 -0.42 1.68 6.06 -1.26 -0.29 118.95 124.40 1ub4 s ARG 408 Ca 0.34 0.23 -0.05 0.00 -2.50 0.00 0.00 55.73 53.74 1ub4 s ARG 408 Cb 0.07 -3.80 0.10 0.00 0.06 0.00 0.00 34.95 31.38 1ub4 s ARG 408 CO 0.10 -0.79 0.23 -0.46 -2.50 0.00 0.00 175.30 171.87 1ub4 s TRP 409 N 2.94 3.48 0.00 5.12 -0.00 0.70 -4.95 118.94 126.23 1ub4 s TRP 409 Ca 0.29 -2.10 0.00 0.00 -0.00 0.00 0.00 56.10 54.29 1ub4 s TRP 409 Cb -0.14 -3.15 0.00 0.00 -0.00 0.00 0.00 33.47 30.19 1ub4 s TRP 409 CO 0.16 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.58 1ub4 n GLY 410 N 4.72 2.85 0.45 5.86 0.00 -1.26 -1.72 105.19 116.09 1ub4 n GLY 410 Ca -0.06 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1ub4 n GLY 410 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ub4 n ASN 411 N 7.24 1.54 -4.32 1.61 3.02 -1.26 -4.95 115.26 118.13 1ub4 n ASN 411 Ca 0.00 -1.33 -0.27 0.00 -0.03 0.00 0.00 54.58 52.96 1ub4 n ASN 411 Cb 0.00 0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.13 1ub4 n ASN 411 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ub4 s SER 412 N -2.23 2.87 0.45 6.41 0.15 -0.70 -5.12 113.70 115.53 1ub4 s SER 412 Ca 0.30 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 56.06 1ub4 s SER 412 Cb 0.20 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 64.23 1ub4 s SER 412 CO 0.42 0.15 1.16 -2.84 1.20 0.00 0.00 173.24 173.33 1ub4 s PRO 413 N -1.71 3.80 -0.19 5.44 0.02 -1.26 -0.21 135.00 140.88 1ub4 s PRO 413 Ca 0.10 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 62.76 1ub4 s PRO 413 Cb -0.10 -2.44 0.06 0.00 0.02 0.00 0.00 34.50 32.04 1ub4 s PRO 413 CO 0.04 -0.52 0.48 0.00 -0.33 0.00 0.00 177.00 176.67 1ub4 s ALA 414 N -1.53 -1.24 -0.24 -1.55 0.00 0.60 -4.83 121.76 112.97 1ub4 s ALA 414 Ca 0.63 1.61 -0.09 0.00 0.00 0.00 0.00 51.96 54.10 1ub4 s ALA 414 Cb -0.29 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1ub4 s ALA 414 CO 0.35 -0.27 0.13 0.08 0.00 0.00 0.00 175.76 176.05 1ub4 s VAL 415 N 0.99 5.02 0.33 0.00 1.01 -1.26 -1.30 120.40 125.19 1ub4 s VAL 415 Ca -0.06 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1ub4 s VAL 415 Cb -0.06 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 1ub4 s VAL 415 CO -0.09 0.35 1.28 -0.60 0.00 0.00 0.00 175.10 176.05 1ub4 s ARG 416 N 1.14 4.36 -0.32 2.72 3.52 -1.23 -4.99 118.95 124.14 1ub4 s ARG 416 Ca 0.06 2.17 -0.09 0.00 -0.13 0.00 0.00 55.73 57.74 1ub4 s ARG 416 Cb -0.14 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1ub4 s ARG 416 CO 0.05 -0.17 0.14 0.42 -0.81 0.00 0.00 175.30 174.93 1ub4 s ILE 417 N -1.15 4.38 0.31 4.11 -1.09 -1.26 -4.76 121.20 121.74 1ub4 s ILE 417 Ca 0.49 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 58.03 1ub4 s ILE 417 Cb -0.39 -3.29 -0.14 0.00 -1.58 0.00 0.00 42.46 37.06 1ub4 s ILE 417 CO 0.51 0.00 0.94 -2.65 -1.23 0.00 0.00 174.94 172.51 1ub4 n PRO 418 N 4.95 1.20 -0.12 2.79 -0.02 -1.26 -4.75 135.00 137.78 1ub4 n PRO 418 Ca -0.14 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1ub4 n PRO 418 Cb 0.48 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1ub4 n PRO 418 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ub4 h ALA 419 N 1.77 0.42 -0.39 3.55 0.00 -2.00 -1.23 119.26 121.38 1ub4 h ALA 419 Ca -0.39 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1ub4 h ALA 419 Cb 1.35 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1ub4 h ALA 419 CO 0.59 -0.36 0.26 1.79 0.00 0.00 0.00 179.25 181.53 1ub4 h THR 420 N 0.16 1.00 0.00 0.00 1.35 -2.00 -1.19 112.91 112.24 1ub4 h THR 420 Ca 0.20 -0.13 -0.16 0.00 -0.55 0.00 0.00 66.41 65.78 1ub4 h THR 420 Cb 0.27 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 1ub4 h THR 420 CO -0.30 0.07 -0.74 -0.07 -0.25 0.00 0.00 175.52 174.23 1ub4 h LEU 421 N 0.37 0.00 -0.13 3.87 3.38 -1.64 -1.02 115.31 120.14 1ub4 h LEU 421 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ub4 h LEU 421 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ub4 h LEU 421 CO -0.04 0.74 0.04 0.24 0.09 0.00 0.00 178.44 179.52 1ub4 h MET 422 N 0.00 0.21 -0.17 1.13 2.86 -0.13 -2.36 114.93 116.47 1ub4 h MET 422 Ca -0.01 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1ub4 h MET 422 Cb 1.48 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 1ub4 h MET 422 CO 0.10 0.33 -0.64 1.96 1.06 0.00 0.00 176.91 179.72 1ub4 h GLN 423 N 0.04 0.63 -0.67 1.72 1.08 -1.46 0.46 115.11 116.91 1ub4 h GLN 423 Ca 0.04 -0.45 0.05 0.00 -1.45 0.00 0.00 58.65 56.85 1ub4 h GLN 423 Cb 0.21 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1ub4 h GLN 423 CO -0.00 1.07 0.44 0.00 -0.95 0.00 0.00 178.83 179.39 1ub4 h ALA 424 N 0.82 1.71 -0.32 3.87 0.00 -1.11 0.21 119.26 124.44 1ub4 h ALA 424 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ub4 h ALA 424 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ub4 h ALA 424 CO 0.12 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1ub4 n LEU 425 N -4.47 3.08 -3.90 0.00 4.77 -0.89 -4.96 117.00 110.63 1ub4 n LEU 425 Ca 0.09 -1.30 -0.29 0.00 -0.03 0.00 0.00 56.01 54.48 1ub4 n LEU 425 Cb 0.20 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ub4 n LEU 425 CO 0.34 0.65 -0.19 0.59 -1.33 0.00 0.00 177.39 177.45 1ub4 n ASN 426 N 1.26 -1.98 -4.95 -1.43 5.03 0.73 -4.94 115.26 108.98 1ub4 n ASN 426 Ca 0.18 -1.04 -0.22 0.00 0.87 0.00 0.00 54.58 54.37 1ub4 n ASN 426 Cb 0.55 -2.98 -0.02 0.00 -1.02 0.00 0.00 39.78 36.31 1ub4 n ASN 426 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ub4 s LEU 427 N -6.88 4.26 0.16 3.41 1.43 0.15 -5.00 118.68 116.21 1ub4 s LEU 427 Ca 0.18 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1ub4 s LEU 427 Cb -0.07 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1ub4 s LEU 427 CO 0.89 -0.05 0.01 0.20 0.23 0.00 0.00 176.35 177.64 1ub4 s ASN 428 N -3.84 1.01 0.34 2.29 0.01 -1.26 -4.65 114.94 108.85 1ub4 s ASN 428 Ca 0.34 -1.17 -0.29 0.00 -0.71 0.00 0.00 52.86 51.03 1ub4 s ASN 428 Cb -0.09 0.15 -0.11 0.00 0.41 0.00 0.00 41.25 41.62 1ub4 s ASN 428 CO 0.28 -0.60 1.41 -0.63 -1.51 0.00 0.00 177.10 176.05 1ub4 s ILE 429 N -3.74 2.39 -0.01 0.60 -1.09 -1.26 -2.26 121.20 115.84 1ub4 s ILE 429 Ca 0.23 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1ub4 s ILE 429 Cb 0.06 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1ub4 s ILE 429 CO 0.03 0.09 0.00 -0.67 -1.23 0.00 0.00 174.94 173.16 1ub4 n ASP 430 N 0.85 -3.17 -4.77 3.58 4.64 -1.26 -5.04 116.55 111.37 1ub4 n ASP 430 Ca 0.01 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.05 1ub4 n ASP 430 Cb 0.40 -0.68 -0.06 0.00 -1.04 0.00 0.00 41.12 39.75 1ub4 n ASP 430 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1ub4 s ASP 431 N -2.07 7.34 0.42 1.67 1.01 -0.96 -5.05 116.67 119.02 1ub4 s ASP 431 Ca 0.00 1.93 -0.19 0.00 0.71 0.00 0.00 52.55 55.00 1ub4 s ASP 431 Cb 0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1ub4 s ASP 431 CO 0.00 -0.07 0.90 -1.61 0.21 0.00 0.00 175.17 174.60 1ub4 s GLU 432 N -1.84 4.13 0.06 8.23 2.02 -1.26 -5.00 118.70 125.03 1ub4 s GLU 432 Ca 0.48 0.98 -0.01 0.00 0.02 0.00 0.00 54.97 56.44 1ub4 s GLU 432 Cb -0.22 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1ub4 s GLU 432 CO 0.28 -0.02 -0.02 0.14 0.02 0.00 0.00 175.26 175.66 1ub4 s VAL 433 N -2.20 0.21 -0.09 2.63 -7.23 -1.26 -3.89 120.40 108.56 1ub4 s VAL 433 Ca 0.60 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1ub4 s VAL 433 Cb -0.09 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 1ub4 s VAL 433 CO 0.17 -0.95 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.44 1ub4 s LYS 434 N -3.93 3.03 -0.49 4.82 1.02 0.32 -4.90 119.74 119.61 1ub4 s LYS 434 Ca 0.08 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1ub4 s LYS 434 Cb 0.08 -2.74 0.14 0.00 -0.52 0.00 0.00 37.83 34.79 1ub4 s LYS 434 CO -0.09 0.60 0.29 0.42 -0.92 0.00 0.00 175.35 175.64 1ub4 s ILE 435 N -0.61 1.74 -0.27 2.17 1.01 -1.25 0.92 121.20 124.90 1ub4 s ILE 435 Ca 0.10 -2.94 -0.12 0.00 0.00 0.00 0.00 60.65 57.69 1ub4 s ILE 435 Cb -0.12 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1ub4 s ILE 435 CO 0.02 -0.92 0.21 -1.81 0.00 0.00 0.00 174.94 172.44 1ub4 s ASP 436 N -0.04 6.09 -0.14 3.58 1.01 -1.03 -4.86 116.67 121.28 1ub4 s ASP 436 Ca 0.20 0.08 -0.15 0.00 0.71 0.00 0.00 52.55 53.39 1ub4 s ASP 436 Cb -0.20 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 1ub4 s ASP 436 CO -0.04 -0.04 0.34 -0.22 0.21 0.00 0.00 175.17 175.42 1ub4 s LEU 437 N 1.62 4.27 0.17 1.23 2.96 -1.26 -3.44 118.68 124.22 1ub4 s LEU 437 Ca 0.09 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1ub4 s LEU 437 Cb -0.15 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1ub4 s LEU 437 CO 0.09 0.10 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.47 1ub4 s VAL 438 N 0.34 1.05 0.00 1.68 1.01 -1.26 -5.00 120.40 118.22 1ub4 s VAL 438 Ca 0.19 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1ub4 s VAL 438 Cb -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1ub4 s VAL 438 CO 0.06 -0.63 0.00 -0.90 0.00 0.00 0.00 175.10 173.63 1ub4 n ASP 439 N -0.24 0.00 -0.09 3.32 5.75 -1.26 -2.42 116.55 121.61 1ub4 n ASP 439 Ca -0.09 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.75 1ub4 n ASP 439 Cb 0.62 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.78 1ub4 n ASP 439 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ub4 n GLY 440 N 0.00 3.40 3.06 6.12 0.00 -1.26 -5.00 105.19 111.52 1ub4 n GLY 440 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1ub4 n GLY 440 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub4 s LYS 441 N -1.84 2.49 0.23 1.61 1.02 -1.01 -5.09 119.74 117.16 1ub4 s LYS 441 Ca 0.17 -0.91 -0.32 0.00 0.02 0.00 0.00 55.97 54.93 1ub4 s LYS 441 Cb 0.15 -2.54 -0.13 0.00 -0.52 0.00 0.00 37.83 34.79 1ub4 s LYS 441 CO 0.02 -0.35 1.54 -0.11 -0.92 0.00 0.00 175.35 175.53 1ub4 n LEU 442 N 4.61 3.57 -4.52 3.17 7.94 -1.26 -4.00 117.00 126.51 1ub4 n LEU 442 Ca -0.17 1.12 -0.33 0.00 -1.11 0.00 0.00 56.01 55.52 1ub4 n LEU 442 Cb 0.47 -1.49 -0.12 0.00 0.53 0.00 0.00 43.42 42.81 1ub4 n LEU 442 CO 0.23 -0.18 -0.43 -0.63 -1.11 0.00 0.00 177.39 175.27 1ub4 s ILE 443 N 0.33 3.29 -0.03 1.96 -1.09 -1.22 -5.01 121.20 119.43 1ub4 s ILE 443 Ca 0.70 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1ub4 s ILE 443 Cb -0.59 -2.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.99 1ub4 s ILE 443 CO 0.44 0.57 0.01 -0.63 -1.23 0.00 0.00 174.94 174.10 1ub4 s ILE 444 N -0.78 0.15 0.11 2.92 1.01 -1.25 -2.47 121.20 120.89 1ub4 s ILE 444 Ca 0.12 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 1ub4 s ILE 444 Cb -0.11 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1ub4 s ILE 444 CO 0.01 0.15 0.14 -1.83 0.00 0.00 0.00 174.94 173.42 1ub4 s GLU 445 N 1.20 0.89 0.74 2.79 -1.05 0.26 -4.94 118.70 118.59 1ub4 s GLU 445 Ca -0.07 -1.16 -0.11 0.00 -0.15 0.00 0.00 54.97 53.48 1ub4 s GLU 445 Cb -0.13 0.30 0.04 0.00 -0.44 0.00 0.00 34.13 33.90 1ub4 s GLU 445 CO -0.02 -0.27 1.08 -2.14 0.95 0.00 0.00 175.26 174.85 1ub4 s PRO 446 N -3.93 2.52 0.07 -4.83 0.02 -1.26 0.12 135.00 127.71 1ub4 s PRO 446 Ca 0.12 0.89 -0.16 0.00 0.02 0.00 0.00 61.00 61.88 1ub4 s PRO 446 Cb 0.06 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1ub4 s PRO 446 CO -0.06 -1.38 0.50 0.08 -0.33 0.00 0.00 177.00 175.81 1ub4 s VAL 447 N -3.05 4.90 -0.23 3.83 1.01 -1.25 -4.56 120.40 121.05 1ub4 s VAL 447 Ca 0.59 0.91 0.10 0.00 0.00 0.00 0.00 61.98 63.59 1ub4 s VAL 447 Cb -0.15 -3.77 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 1ub4 s VAL 447 CO 0.55 0.45 -0.08 -1.14 0.00 0.00 0.00 175.10 174.87 1ub4 n ARG 448 N 1.40 0.69 -2.99 2.72 3.00 -1.26 -4.95 116.66 115.27 1ub4 n ARG 448 Ca -0.10 0.07 -0.40 0.00 -0.00 0.00 0.00 57.85 57.42 1ub4 n ARG 448 Cb 0.52 -1.51 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 1ub4 n ARG 448 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1ub4 s LYS 449 N -2.50 4.49 0.12 -0.14 1.02 -1.26 -5.05 119.74 116.42 1ub4 s LYS 449 Ca -0.22 1.05 -0.06 0.00 0.02 0.00 0.00 55.97 56.75 1ub4 s LYS 449 Cb 0.07 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1ub4 s LYS 449 CO 0.70 0.27 0.16 -1.21 -0.92 0.00 0.00 175.35 174.36 1ub4 s GLU 450 N -0.01 0.95 0.41 1.68 2.02 -1.26 -5.13 118.70 117.36 1ub4 s GLU 450 Ca 0.38 -1.19 -0.27 0.00 0.02 0.00 0.00 54.97 53.92 1ub4 s GLU 450 Cb -0.20 0.31 -0.10 0.00 0.10 0.00 0.00 34.13 34.25 1ub4 s GLU 450 CO 0.23 -0.30 1.44 -1.25 0.02 0.00 0.00 175.26 175.39 1ub4 s PRO 451 N -3.95 3.92 -0.07 0.39 0.04 -1.26 -5.00 135.00 129.07 1ub4 s PRO 451 Ca 0.14 2.46 0.03 0.00 0.04 0.00 0.00 61.00 63.67 1ub4 s PRO 451 Cb 0.05 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1ub4 s PRO 451 CO -0.04 -0.64 -0.15 0.08 0.04 0.00 0.00 177.00 176.29 1ub4 s VAL 452 N -1.17 1.38 0.24 -0.36 1.01 -1.26 -5.14 120.40 115.10 1ub4 s VAL 452 Ca 0.56 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1ub4 s VAL 452 Cb -0.44 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1ub4 s VAL 452 CO 0.59 0.41 -0.16 -0.36 0.00 0.00 0.00 175.10 175.57 1ub4 s PHE 453 N 0.51 1.95 0.23 5.22 0.40 -1.26 -5.15 117.98 119.89 1ub4 s PHE 453 Ca -0.14 -0.48 0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1ub4 s PHE 453 Cb -0.16 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1ub4 s PHE 453 CO 0.05 0.50 0.05 0.95 0.70 0.00 0.00 175.22 177.46 1ub4 s THR 454 N -2.79 3.79 0.14 0.64 -4.23 -1.26 -5.02 115.64 106.90 1ub4 s THR 454 Ca 0.26 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1ub4 s THR 454 Cb -0.02 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 1ub4 s THR 454 CO 0.10 -0.28 1.75 0.25 -0.54 0.00 0.00 174.62 175.91 1ub4 h LEU 455 N 2.07 0.46 -0.42 4.79 5.85 -2.01 -2.83 115.31 123.22 1ub4 h LEU 455 Ca -0.46 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.22 1ub4 h LEU 455 Cb 1.23 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1ub4 h LEU 455 CO 0.60 0.41 0.20 0.00 -0.34 0.00 0.00 178.44 179.30 1ub4 h ALA 456 N 1.08 0.52 -0.48 1.25 0.00 -1.98 -0.28 119.26 119.37 1ub4 h ALA 456 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ub4 h ALA 456 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ub4 h ALA 456 CO -0.02 -0.17 0.00 1.05 0.00 0.00 0.00 179.25 180.11 1ub4 h GLU 457 N 0.40 0.80 0.00 0.00 4.11 -1.93 -0.66 114.58 117.30 1ub4 h GLU 457 Ca 0.18 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ub4 h GLU 457 Cb 0.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ub4 h GLU 457 CO -0.14 0.81 -0.00 -0.07 0.07 0.00 0.00 179.01 179.67 1ub4 h LEU 458 N 0.75 0.00 -0.94 3.06 3.38 -1.32 -3.20 115.31 117.04 1ub4 h LEU 458 Ca 0.15 -0.82 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1ub4 h LEU 458 Cb 0.45 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ub4 h LEU 458 CO 0.02 0.82 0.49 0.58 0.09 0.00 0.00 178.44 180.44 1ub4 h VAL 459 N -0.81 1.25 0.00 1.22 2.07 -1.06 -1.86 116.25 117.06 1ub4 h VAL 459 Ca -0.00 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1ub4 h VAL 459 Cb 0.82 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ub4 h VAL 459 CO 0.00 0.29 -0.04 0.78 0.02 0.00 0.00 177.57 178.62 1ub4 h ASN 460 N 1.24 0.00 0.15 0.57 2.35 -1.22 -1.66 115.58 117.00 1ub4 h ASN 460 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1ub4 h ASN 460 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ub4 h ASN 460 CO -0.05 0.04 -0.11 0.47 -1.65 0.00 0.00 177.43 176.13 1ub4 n ASP 461 N -3.61 0.99 -4.73 5.81 8.00 -0.71 -4.83 116.55 117.46 1ub4 n ASP 461 Ca -0.03 -1.06 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 1ub4 n ASP 461 Cb 0.13 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1ub4 n ASP 461 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ub4 s ILE 462 N -2.26 4.11 0.20 0.53 1.01 -0.63 -4.99 121.20 119.17 1ub4 s ILE 462 Ca 0.32 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1ub4 s ILE 462 Cb 0.20 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1ub4 s ILE 462 CO 0.43 0.30 -0.03 0.42 0.00 0.00 0.00 174.94 176.06 1ub4 s THR 463 N -0.15 1.01 0.52 2.92 -4.23 -1.26 -5.03 115.64 109.42 1ub4 s THR 463 Ca 0.48 -2.03 0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1ub4 s THR 463 Cb -0.27 -2.18 0.28 0.00 1.34 0.00 0.00 72.50 71.66 1ub4 s THR 463 CO 0.33 -0.46 2.14 -0.65 -0.54 0.00 0.00 174.62 175.44 1ub4 h PRO 464 N 2.59 0.00 0.02 3.99 0.11 -1.97 -2.23 132.00 134.50 1ub4 h PRO 464 Ca -0.38 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.52 1ub4 h PRO 464 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ub4 h PRO 464 CO 0.64 0.05 -0.98 0.93 -0.21 0.00 0.00 178.00 178.43 1ub4 h GLU 465 N 0.00 0.09 -0.02 1.05 3.07 -2.00 -3.31 114.58 113.46 1ub4 h GLU 465 Ca -0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1ub4 h GLU 465 Cb 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1ub4 h GLU 465 CO 0.01 0.99 -0.13 0.27 -1.40 0.00 0.00 179.01 178.75 1ub4 n ASN 466 N -3.50 2.50 -4.76 1.42 0.23 -1.05 -4.97 115.26 105.14 1ub4 n ASN 466 Ca -0.02 -1.77 -0.41 0.00 -0.53 0.00 0.00 54.58 51.84 1ub4 n ASN 466 Cb 0.89 0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 38.69 1ub4 n ASN 466 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1ub4 s LEU 467 N -2.14 4.39 0.02 -4.53 2.96 -0.87 -4.90 118.68 113.63 1ub4 s LEU 467 Ca 0.27 2.71 -0.00 0.00 -0.22 0.00 0.00 54.13 56.88 1ub4 s LEU 467 Cb 0.20 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1ub4 s LEU 467 CO 0.38 -0.66 0.14 -1.00 -1.32 0.00 0.00 176.35 173.89 1ub4 s HIS 468 N -0.50 3.40 0.72 5.38 3.76 -1.26 -5.07 115.29 121.73 1ub4 s HIS 468 Ca 0.55 0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 55.58 1ub4 s HIS 468 Cb -0.41 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.55 1ub4 s HIS 468 CO 0.48 0.58 1.09 -1.21 -0.85 0.00 0.00 174.74 174.84 1ub4 s GLU 469 N -2.10 2.71 0.20 1.40 2.02 -1.26 -4.99 118.70 116.68 1ub4 s GLU 469 Ca 0.28 0.55 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 1ub4 s GLU 469 Cb -0.12 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 1ub4 s GLU 469 CO 0.20 -1.16 1.35 -0.80 0.02 0.00 0.00 175.26 174.87 1ub4 s ASN 470 N -4.21 6.84 0.36 -0.19 0.01 -1.26 -4.96 114.94 111.53 1ub4 s ASN 470 Ca 0.59 2.45 -0.28 0.00 -0.71 0.00 0.00 52.86 54.90 1ub4 s ASN 470 Cb -0.12 -2.61 -0.11 0.00 0.41 0.00 0.00 41.25 38.82 1ub4 s ASN 470 CO 0.53 -0.58 1.42 -0.63 -1.51 0.00 0.00 177.10 176.33 1ub4 s ILE 471 N 0.21 2.30 -0.49 0.60 -1.09 -1.26 -4.96 121.20 116.51 1ub4 s ILE 471 Ca 0.58 0.30 -0.18 0.00 -2.23 0.00 0.00 60.65 59.12 1ub4 s ILE 471 Cb -0.38 -3.19 0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1ub4 s ILE 471 CO 0.38 0.07 0.57 -0.62 -1.23 0.00 0.00 174.94 174.11 1ub4 s ASP 472 N -0.29 6.21 0.20 3.58 -1.08 -1.26 -4.92 116.67 119.12 1ub4 s ASP 472 Ca 0.52 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.89 1ub4 s ASP 472 Cb -0.44 -2.27 0.89 0.00 -1.46 0.00 0.00 42.92 39.64 1ub4 s ASP 472 CO 0.59 -0.81 1.76 0.79 0.52 0.00 0.00 175.17 178.03 1ub4 n TRP 473 N 5.95 0.80 -4.20 -5.34 7.02 -1.26 -5.03 117.44 115.39 1ub4 n TRP 473 Ca -0.07 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1ub4 n TRP 473 Cb 0.45 -0.92 0.00 0.00 -2.42 0.00 0.00 31.31 28.43 1ub4 n TRP 473 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ub4 n GLY 474 N 0.93 -1.53 3.05 6.99 0.00 -1.26 -4.97 105.19 108.40 1ub4 n GLY 474 Ca 0.05 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1ub4 n GLY 474 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ub4 s GLU 475 N 0.00 0.44 0.00 1.61 0.41 -1.26 -5.30 118.70 114.60 1ub4 s GLU 475 Ca 0.00 -0.64 0.24 0.00 -0.41 0.00 0.00 54.97 54.16 1ub4 s GLU 475 Cb 0.00 0.17 1.45 0.00 -1.78 0.00 0.00 34.13 33.97 1ub4 s GLU 475 CO 0.00 -0.09 1.81 -0.35 -0.49 0.00 0.00 175.26 176.14