#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv4 s ILE 403 N 0.00 1.40 0.01 0.55 2.07 -1.26 -0.81 121.20 123.16 1iv4 s ILE 403 Ca 0.00 -1.55 -0.01 0.00 -1.41 0.00 0.00 60.65 57.68 1iv4 s ILE 403 Cb 0.00 -1.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.17 1iv4 s ILE 403 CO 0.00 -0.25 -0.00 -0.83 -1.91 0.00 0.00 174.94 171.95 1iv4 s GLY 404 N -2.09 0.16 -0.06 1.50 0.00 -0.77 -4.19 107.32 101.88 1iv4 s GLY 404 Ca 0.05 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1iv4 s GLY 404 CO 0.03 -0.46 -0.17 -0.47 0.00 0.00 0.00 173.10 172.03 1iv4 s TYR 405 N -1.13 1.82 0.05 1.90 5.04 -1.26 -0.77 117.35 123.01 1iv4 s TYR 405 Ca -0.12 -0.63 -0.05 0.00 -2.44 0.00 0.00 57.07 53.82 1iv4 s TYR 405 Cb -0.08 -1.26 -0.01 0.00 0.35 0.00 0.00 41.96 40.96 1iv4 s TYR 405 CO -0.00 -0.26 0.10 0.20 -1.34 0.00 0.00 175.55 174.24 1iv4 s GLY 406 N 0.32 0.21 0.04 8.97 0.00 -0.15 -4.28 107.32 112.43 1iv4 s GLY 406 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1iv4 s GLY 406 CO 0.04 -0.85 -0.04 -0.54 0.00 0.00 0.00 173.10 171.71 1iv4 s GLU 407 N -3.22 0.45 0.10 2.90 2.02 -1.26 -0.24 118.70 119.45 1iv4 s GLU 407 Ca 0.00 -0.84 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 1iv4 s GLU 407 Cb 0.02 0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.33 1iv4 s GLU 407 CO -0.07 -0.05 0.30 0.34 0.02 0.00 0.00 175.26 175.80 1iv4 s ASP 408 N -1.96 -0.07 0.09 -0.19 2.15 -0.06 -4.48 116.67 112.15 1iv4 s ASP 408 Ca -0.07 -0.44 -0.19 0.00 0.43 0.00 0.00 52.55 52.27 1iv4 s ASP 408 Cb -0.04 0.40 0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1iv4 s ASP 408 CO -0.03 -0.77 0.46 -0.94 -0.17 0.00 0.00 175.17 173.71 1iv4 s SER 409 N -2.75 -0.35 -0.03 -0.34 1.04 -1.26 -0.80 113.70 109.21 1iv4 s SER 409 Ca 0.03 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 1iv4 s SER 409 Cb 0.03 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1iv4 s SER 409 CO -0.11 -0.78 0.19 -1.00 0.98 0.00 0.00 173.24 172.53 1iv4 s HIS 410 N -3.07 -0.10 0.59 5.02 3.76 -0.29 -4.99 115.29 116.21 1iv4 s HIS 410 Ca -0.02 0.20 -0.18 0.00 -0.15 0.00 0.00 55.06 54.92 1iv4 s HIS 410 Cb 0.00 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1iv4 s HIS 410 CO -0.07 -0.24 1.11 0.50 -0.85 0.00 0.00 174.74 175.20 1iv4 s ARG 411 N -0.80 3.16 -0.03 1.40 3.52 -1.26 -1.00 118.95 123.93 1iv4 s ARG 411 Ca -0.09 1.49 0.04 0.00 -0.13 0.00 0.00 55.73 57.05 1iv4 s ARG 411 Cb -0.05 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 1iv4 s ARG 411 CO 0.01 -0.98 -0.15 -0.51 -0.81 0.00 0.00 175.30 172.86 1iv4 s LEU 412 N -4.24 2.71 -0.01 -0.88 1.43 0.56 -0.54 118.68 117.71 1iv4 s LEU 412 Ca 0.70 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1iv4 s LEU 412 Cb -0.22 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1iv4 s LEU 412 CO 0.33 0.33 -0.13 -1.61 0.23 0.00 0.00 176.35 175.50 1iv4 s GLU 413 N -0.85 1.01 0.30 1.70 2.02 0.26 -4.83 118.70 118.31 1iv4 s GLU 413 Ca 0.12 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.35 1iv4 s GLU 413 Cb -0.11 -0.98 -0.13 0.00 0.10 0.00 0.00 34.13 33.01 1iv4 s GLU 413 CO 0.01 0.27 1.30 0.39 0.02 0.00 0.00 175.26 177.26 1iv4 n GLU 414 N 2.71 2.02 -0.77 1.61 1.02 -1.26 -1.02 120.64 124.94 1iv4 n GLU 414 Ca -0.14 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1iv4 n GLU 414 Cb 0.56 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1iv4 n GLU 414 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iv4 n GLY 415 N 1.32 0.68 3.62 0.62 0.00 -0.78 -4.87 105.19 105.79 1iv4 n GLY 415 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1iv4 n GLY 415 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv4 s ARG 416 N -0.23 2.28 0.37 1.61 0.52 -1.16 -4.97 118.95 117.38 1iv4 s ARG 416 Ca 0.00 -1.04 -0.26 0.00 -0.52 0.00 0.00 55.73 53.90 1iv4 s ARG 416 Cb 0.00 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 1iv4 s ARG 416 CO 0.00 0.49 1.16 -1.25 0.02 0.00 0.00 175.30 175.72 1iv4 s PRO 417 N -2.53 4.19 -0.29 3.54 0.04 -1.26 -2.37 135.00 136.32 1iv4 s PRO 417 Ca 0.24 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 1iv4 s PRO 417 Cb -0.10 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1iv4 s PRO 417 CO 0.16 -0.20 0.12 -1.17 0.04 0.00 0.00 177.00 175.95 1iv4 s LEU 418 N -2.26 3.88 -0.18 -3.56 2.96 -1.26 -2.87 118.68 115.39 1iv4 s LEU 418 Ca 0.54 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1iv4 s LEU 418 Cb -0.31 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1iv4 s LEU 418 CO 0.39 -0.14 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.98 1iv4 s TYR 419 N 1.61 3.07 -0.02 5.38 2.02 -1.26 -0.13 117.35 128.02 1iv4 s TYR 419 Ca 0.05 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1iv4 s TYR 419 Cb -0.16 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1iv4 s TYR 419 CO 0.05 -0.11 0.05 -0.51 -1.57 0.00 0.00 175.55 173.47 1iv4 s LEU 420 N 0.69 1.47 -1.88 -1.29 1.43 0.41 -3.98 118.68 115.53 1iv4 s LEU 420 Ca -0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1iv4 s LEU 420 Cb -0.14 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.17 1iv4 s LEU 420 CO 0.02 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.54 1iv4 n GLY 422 N -0.78 0.77 3.48 0.00 0.00 -1.26 -4.39 105.19 103.01 1iv4 n GLY 422 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1iv4 n GLY 422 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv4 s LEU 423 N 0.00 2.70 -0.20 0.99 1.43 0.35 -5.06 118.68 118.88 1iv4 s LEU 423 Ca 0.00 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1iv4 s LEU 423 Cb 0.00 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1iv4 s LEU 423 CO 0.00 0.23 0.77 -0.22 0.23 0.00 0.00 176.35 177.36 1iv4 s LEU 424 N -1.70 4.13 -0.19 1.79 0.20 -1.26 -0.45 118.68 121.20 1iv4 s LEU 424 Ca 0.16 1.03 -0.09 0.00 0.69 0.00 0.00 54.13 55.92 1iv4 s LEU 424 Cb -0.11 -3.12 -0.05 0.00 -0.43 0.00 0.00 46.19 42.49 1iv4 s LEU 424 CO 0.07 -0.41 0.10 -0.63 -0.29 0.00 0.00 176.35 175.20 1iv4 s ILE 425 N 2.33 5.13 0.05 6.68 -1.09 0.82 -4.99 121.20 130.12 1iv4 s ILE 425 Ca 0.34 0.09 -0.34 0.00 -2.23 0.00 0.00 60.65 58.52 1iv4 s ILE 425 Cb -0.16 -3.33 -0.13 0.00 -1.58 0.00 0.00 42.46 37.26 1iv4 s ILE 425 CO 0.10 0.44 1.74 -2.65 -1.23 0.00 0.00 174.94 173.35 1iv4 n PRO 426 N 3.58 2.25 -3.55 2.79 -0.02 -1.26 -4.32 135.00 134.47 1iv4 n PRO 426 Ca -0.16 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1iv4 n PRO 426 Cb 0.52 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 1iv4 n PRO 426 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv4 s SER 427 N 2.52 -0.48 0.00 2.55 0.15 -1.26 -4.87 113.70 112.31 1iv4 s SER 427 Ca 0.85 0.48 0.29 0.00 0.70 0.00 0.00 55.95 58.27 1iv4 s SER 427 Cb -0.66 0.40 1.28 0.00 -1.71 0.00 0.00 66.02 65.34 1iv4 s SER 427 CO 0.44 -0.48 1.91 -0.81 1.20 0.00 0.00 173.24 175.49 1iv4 n PRO 428 N 0.69 0.42 -4.10 5.44 -0.04 -1.26 -4.84 135.00 131.31 1iv4 n PRO 428 Ca -0.14 -0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.16 1iv4 n PRO 428 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1iv4 n PRO 428 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iv4 s VAL 429 N -2.64 0.33 0.24 0.52 -7.23 -1.26 -1.87 120.40 108.48 1iv4 s VAL 429 Ca 0.25 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 1iv4 s VAL 429 Cb 0.20 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.70 1iv4 s VAL 429 CO 0.50 -0.91 0.48 -0.83 -0.31 0.00 0.00 175.10 174.02 1iv4 s GLY 430 N -2.80 0.42 0.16 2.32 0.00 -0.19 -4.21 107.32 103.02 1iv4 s GLY 430 Ca 0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 1iv4 s GLY 430 CO -0.08 -0.57 1.06 0.00 0.00 0.00 0.00 173.10 173.51 1iv4 s ALA 431 N -3.99 3.33 -1.05 3.20 0.00 -1.14 0.90 121.76 123.01 1iv4 s ALA 431 Ca 0.20 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1iv4 s ALA 431 Cb -0.01 -3.33 0.23 0.00 0.00 0.00 0.00 23.12 20.01 1iv4 s ALA 431 CO 0.07 -0.15 1.10 -1.17 0.00 0.00 0.00 175.76 175.61 1iv4 s LEU 432 N -0.24 6.06 0.06 0.00 2.96 0.30 -4.81 118.68 123.01 1iv4 s LEU 432 Ca 0.49 -3.13 -0.08 0.00 -0.22 0.00 0.00 54.13 51.19 1iv4 s LEU 432 Cb -0.28 -2.27 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1iv4 s LEU 432 CO 0.33 -0.52 0.16 0.00 -1.32 0.00 0.00 176.35 175.00 1iv4 s ALA 433 N 0.01 -0.19 0.58 5.97 0.00 -1.26 -4.61 121.76 122.26 1iv4 s ALA 433 Ca 0.30 -0.54 0.27 0.00 0.00 0.00 0.00 51.96 52.00 1iv4 s ALA 433 Cb -0.08 0.36 1.64 0.00 0.00 0.00 0.00 23.12 25.04 1iv4 s ALA 433 CO -0.07 -0.42 2.13 0.45 0.00 0.00 0.00 175.76 177.86 1iv4 h HIS 434 N 3.16 0.00 -3.46 0.00 3.86 -2.02 -3.43 115.15 113.26 1iv4 h HIS 434 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1iv4 h HIS 434 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1iv4 h HIS 434 CO 0.48 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 1iv4 n SER 435 N -3.93 0.37 0.00 2.45 3.41 -1.26 -4.91 113.62 109.75 1iv4 n SER 435 Ca 0.01 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1iv4 n SER 435 Cb 0.26 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.79 1iv4 n SER 435 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv4 n ASP 436 N -1.21 0.00 -1.96 4.04 3.85 -1.26 -4.87 116.55 115.13 1iv4 n ASP 436 Ca 0.00 -0.29 -0.20 0.00 -0.71 0.00 0.00 54.79 53.59 1iv4 n ASP 436 Cb 0.00 -0.17 -0.05 0.00 -1.35 0.00 0.00 41.12 39.55 1iv4 n ASP 436 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv4 n GLY 437 N 0.43 0.77 3.56 6.12 0.00 -1.26 -4.32 105.19 110.48 1iv4 n GLY 437 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1iv4 n GLY 437 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv4 s ASP 438 N -2.38 5.82 0.37 1.61 -1.08 -1.26 -4.82 116.67 114.94 1iv4 s ASP 438 Ca 0.00 -0.74 0.06 0.00 -0.52 0.00 0.00 52.55 51.35 1iv4 s ASP 438 Cb 0.00 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.63 1iv4 s ASP 438 CO 0.00 -2.09 1.95 0.00 0.52 0.00 0.00 175.17 175.55 1iv4 h ALA 439 N 11.14 1.52 0.05 3.66 0.00 -1.91 -1.48 119.26 132.25 1iv4 h ALA 439 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iv4 h ALA 439 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1iv4 h ALA 439 CO 1.30 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 180.89 1iv4 h ALA 440 N 1.61 -0.07 0.00 0.00 0.00 -1.89 -1.00 119.26 117.92 1iv4 h ALA 440 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1iv4 h ALA 440 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iv4 h ALA 440 CO -0.00 -0.39 -0.37 0.52 0.00 0.00 0.00 179.25 179.00 1iv4 h MET 441 N -0.36 0.00 -0.22 0.00 2.86 -1.89 -2.11 114.93 113.21 1iv4 h MET 441 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1iv4 h MET 441 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1iv4 h MET 441 CO 0.01 0.37 -0.25 0.45 1.06 0.00 0.00 176.91 178.55 1iv4 h HIS 442 N 0.00 0.68 -0.64 -0.22 3.86 -1.17 0.03 115.15 117.68 1iv4 h HIS 442 Ca -0.00 -0.21 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1iv4 h HIS 442 Cb 0.72 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 1iv4 h HIS 442 CO 0.00 0.91 0.39 0.00 0.86 0.00 0.00 177.93 180.10 1iv4 h ALA 443 N 0.65 0.83 -0.82 2.45 0.00 -0.98 0.76 119.26 122.15 1iv4 h ALA 443 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1iv4 h ALA 443 Cb 0.81 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1iv4 h ALA 443 CO 0.06 0.15 0.42 -0.07 0.00 0.00 0.00 179.25 179.81 1iv4 h LEU 444 N 0.78 1.06 -0.07 0.00 3.38 -1.25 0.30 115.31 119.50 1iv4 h LEU 444 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1iv4 h LEU 444 Cb 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1iv4 h LEU 444 CO -0.10 0.88 0.02 0.74 0.09 0.00 0.00 178.44 180.07 1iv4 h THR 445 N 1.16 1.18 -0.94 0.22 2.02 -0.35 -1.24 112.91 114.97 1iv4 h THR 445 Ca 0.29 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1iv4 h THR 445 Cb 0.08 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1iv4 h THR 445 CO -0.04 0.15 0.62 0.44 0.37 0.00 0.00 175.52 177.06 1iv4 h ASP 446 N -0.08 1.06 -0.76 4.18 3.32 -0.75 -0.56 116.42 122.83 1iv4 h ASP 446 Ca 0.02 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1iv4 h ASP 446 Cb 0.22 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1iv4 h ASP 446 CO -0.00 0.75 0.26 0.00 -1.72 0.00 0.00 179.24 178.54 1iv4 h ALA 447 N 1.36 1.00 -0.16 3.45 0.00 -0.67 0.19 119.26 124.42 1iv4 h ALA 447 Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iv4 h ALA 447 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1iv4 h ALA 447 CO -0.09 0.66 0.06 -0.07 0.00 0.00 0.00 179.25 179.81 1iv4 h LEU 448 N 1.12 0.22 -0.93 0.00 3.38 -0.86 -1.99 115.31 116.26 1iv4 h LEU 448 Ca 0.25 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1iv4 h LEU 448 Cb 0.27 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1iv4 h LEU 448 CO -0.01 0.33 0.31 -0.07 0.09 0.00 0.00 178.44 179.09 1iv4 h LEU 449 N 0.10 1.00 -1.30 1.67 3.38 -0.82 -2.76 115.31 116.58 1iv4 h LEU 449 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1iv4 h LEU 449 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1iv4 h LEU 449 CO -0.00 0.87 -0.06 -1.28 0.09 0.00 0.00 178.44 178.06 1iv4 h SER 450 N 1.07 0.37 0.35 -0.43 0.87 -0.37 -1.19 113.55 114.22 1iv4 h SER 450 Ca 0.25 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1iv4 h SER 450 Cb 0.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1iv4 h SER 450 CO -0.02 0.48 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 1iv4 n ALA 451 N -2.48 1.34 -0.06 6.23 0.00 -0.77 -1.71 120.51 123.07 1iv4 n ALA 451 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1iv4 n ALA 451 Cb 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1iv4 n ALA 451 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iv4 n TYR 452 N -2.25 0.00 -1.83 0.00 4.02 -0.87 -4.76 117.16 111.47 1iv4 n TYR 452 Ca 0.00 -0.45 -0.16 0.00 -0.01 0.00 0.00 57.90 57.29 1iv4 n TYR 452 Cb 0.13 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.36 1iv4 n TYR 452 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv4 n GLY 453 N -0.45 0.76 0.09 2.72 0.00 -0.69 -4.90 105.19 102.72 1iv4 n GLY 453 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1iv4 n GLY 453 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv4 n LEU 454 N -1.99 0.68 0.00 0.99 4.77 -0.50 -5.01 117.00 115.94 1iv4 n LEU 454 Ca -0.17 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1iv4 n LEU 454 Cb 0.57 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1iv4 n LEU 454 CO 0.23 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1iv4 n GLY 455 N 1.19 0.22 3.44 -0.72 0.00 -1.26 -4.94 105.19 103.12 1iv4 n GLY 455 Ca 0.05 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1iv4 n GLY 455 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv4 s ASP 456 N -4.00 1.04 0.37 1.61 1.47 -1.26 -4.28 116.67 111.62 1iv4 s ASP 456 Ca 0.00 -1.53 0.13 0.00 1.18 0.00 0.00 52.55 52.33 1iv4 s ASP 456 Cb 0.00 0.63 0.72 0.00 -0.34 0.00 0.00 42.92 43.93 1iv4 s ASP 456 CO 0.00 -1.23 1.82 0.16 0.68 0.00 0.00 175.17 176.61 1iv4 h ILE 457 N 2.14 1.26 -0.24 2.11 3.07 -1.93 -1.23 117.51 122.69 1iv4 h ILE 457 Ca -0.28 -1.28 -0.08 0.00 1.55 0.00 0.00 64.86 64.77 1iv4 h ILE 457 Cb 1.24 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.47 1iv4 h ILE 457 CO 0.39 0.37 -0.21 1.23 -1.05 0.00 0.00 178.15 178.88 1iv4 h GLY 458 N 1.13 0.47 0.65 0.16 0.00 -1.97 0.30 103.07 103.80 1iv4 h GLY 458 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1iv4 h GLY 458 CO 0.05 0.32 -0.31 -2.00 0.00 0.00 0.00 176.54 174.60 1iv4 h LEU 459 N 0.39 0.37 0.00 3.11 5.85 -1.71 -3.28 115.31 120.04 1iv4 h LEU 459 Ca 0.06 -0.67 -0.11 0.00 0.84 0.00 0.00 57.88 58.01 1iv4 h LEU 459 Cb 0.58 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1iv4 h LEU 459 CO 0.04 0.97 -1.15 -0.07 -0.34 0.00 0.00 178.44 177.90 1iv4 h LEU 460 N -0.22 0.00 -5.70 2.25 3.38 -1.21 -3.39 115.31 110.42 1iv4 h LEU 460 Ca -0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 1iv4 h LEU 460 Cb 0.97 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.31 1iv4 h LEU 460 CO 0.06 0.39 -0.86 0.49 0.09 0.00 0.00 178.44 178.61 1iv4 n PHE 461 N -2.88 2.33 -2.49 1.13 3.72 0.09 -5.07 117.46 114.29 1iv4 n PHE 461 Ca -0.05 -3.92 -0.41 0.00 -0.05 0.00 0.00 57.45 53.02 1iv4 n PHE 461 Cb 0.74 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 1iv4 n PHE 461 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv4 s PRO 462 N -2.80 4.63 0.56 -1.08 0.04 -1.24 -4.73 135.00 130.38 1iv4 s PRO 462 Ca 0.44 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.52 1iv4 s PRO 462 Cb 0.28 -3.22 1.64 0.00 0.04 0.00 0.00 34.50 33.24 1iv4 s PRO 462 CO -0.10 0.17 2.19 0.38 0.04 0.00 0.00 177.00 179.68 1iv4 h ASP 463 N 4.26 0.00 -1.48 6.66 3.04 -1.91 -0.61 116.42 126.37 1iv4 h ASP 463 Ca -0.46 0.00 0.43 0.00 -3.24 0.00 0.00 57.03 53.76 1iv4 h ASP 463 Cb 1.21 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.44 1iv4 h ASP 463 CO 0.69 0.04 1.26 0.71 -2.04 0.00 0.00 179.24 179.90 1iv4 h THR 464 N 0.00 0.05 -3.29 1.15 1.35 -1.98 -3.38 112.91 106.80 1iv4 h THR 464 Ca -0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.26 1iv4 h THR 464 Cb 0.09 0.06 -0.11 0.00 -1.73 0.00 0.00 68.15 66.46 1iv4 h THR 464 CO 0.00 0.00 -0.42 -0.62 -0.25 0.00 0.00 175.52 174.23 1iv4 s ASP 465 N -3.87 6.30 0.56 5.36 -1.08 -0.24 -4.96 116.67 118.73 1iv4 s ASP 465 Ca -0.04 0.34 0.28 0.00 -0.52 0.00 0.00 52.55 52.61 1iv4 s ASP 465 Cb 0.21 -2.13 1.65 0.00 -1.46 0.00 0.00 42.92 41.19 1iv4 s ASP 465 CO 0.71 0.14 2.18 1.55 0.52 0.00 0.00 175.17 180.27 1iv4 h PRO 466 N 6.71 0.00 0.00 4.34 0.13 -1.88 -1.22 132.00 140.09 1iv4 h PRO 466 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1iv4 h PRO 466 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iv4 h PRO 466 CO 0.76 0.05 -0.01 0.00 -0.23 0.00 0.00 178.00 178.56 1iv4 h ARG 467 N 0.00 0.00 0.00 0.86 3.08 -1.93 -3.16 114.38 113.23 1iv4 h ARG 467 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1iv4 h ARG 467 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1iv4 h ARG 467 CO 0.01 0.01 -1.76 0.91 -1.07 0.00 0.00 179.97 178.07 1iv4 n TRP 468 N -3.18 0.00 -1.68 3.04 5.03 -0.47 -4.90 117.44 115.26 1iv4 n TRP 468 Ca -0.02 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.09 1iv4 n TRP 468 Cb 0.16 -0.46 -0.03 0.00 -1.03 0.00 0.00 31.31 29.95 1iv4 n TRP 468 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1iv4 s ARG 469 N -2.71 3.96 0.00 -0.99 3.52 -1.12 -2.94 118.95 118.67 1iv4 s ARG 469 Ca -0.06 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1iv4 s ARG 469 Cb 0.07 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.27 1iv4 s ARG 469 CO 0.57 -1.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1iv4 n GLY 470 N 4.74 0.96 3.82 8.12 0.00 -1.26 -5.02 105.19 116.56 1iv4 n GLY 470 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1iv4 n GLY 470 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv4 s GLU 471 N -0.06 4.23 0.44 1.61 0.41 -1.15 -5.04 118.70 119.15 1iv4 s GLU 471 Ca 0.00 0.88 -0.25 0.00 -0.41 0.00 0.00 54.97 55.18 1iv4 s GLU 471 Cb 0.00 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.49 1iv4 s GLU 471 CO 0.00 0.33 1.38 1.03 -0.49 0.00 0.00 175.26 177.51 1iv4 s ARG 472 N -2.20 3.76 0.66 1.61 1.81 -1.26 -4.70 118.95 118.63 1iv4 s ARG 472 Ca 0.46 2.32 0.44 0.00 -1.72 0.00 0.00 55.73 57.24 1iv4 s ARG 472 Cb -0.15 -2.67 2.41 0.00 -0.45 0.00 0.00 34.95 34.08 1iv4 s ARG 472 CO 0.20 -0.72 2.36 0.77 -0.68 0.00 0.00 175.30 177.23 1iv4 h SER 473 N 2.40 0.00 0.28 0.23 0.02 -1.96 -1.65 113.55 112.87 1iv4 h SER 473 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1iv4 h SER 473 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1iv4 h SER 473 CO 0.61 0.00 -0.03 1.05 -1.14 0.00 0.00 176.83 177.33 1iv4 h GLU 474 N 0.00 0.00 -0.66 3.45 4.11 -1.97 -1.02 114.58 118.50 1iv4 h GLU 474 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1iv4 h GLU 474 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1iv4 h GLU 474 CO 0.00 0.03 0.09 0.28 0.07 0.00 0.00 179.01 179.48 1iv4 h VAL 475 N 0.00 1.26 -0.13 -1.06 2.07 -1.67 -0.68 116.25 116.05 1iv4 h VAL 475 Ca -0.00 -1.05 -0.19 0.00 0.82 0.00 0.00 66.70 66.28 1iv4 h VAL 475 Cb 0.17 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1iv4 h VAL 475 CO 0.00 0.39 -0.67 -0.26 0.02 0.00 0.00 177.57 177.05 1iv4 h PHE 476 N 1.02 0.93 -0.39 1.57 0.04 -1.36 -2.12 116.94 116.63 1iv4 h PHE 476 Ca 0.20 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.57 1iv4 h PHE 476 Cb 0.45 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1iv4 h PHE 476 CO 0.03 1.23 0.23 1.25 -0.60 0.00 0.00 178.31 180.45 1iv4 h LEU 477 N 0.38 0.37 -1.17 1.54 5.85 -1.36 -0.45 115.31 120.47 1iv4 h LEU 477 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1iv4 h LEU 477 Cb 1.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1iv4 h LEU 477 CO 0.14 0.27 -0.40 0.03 -0.34 0.00 0.00 178.44 178.14 1iv4 h ARG 478 N 0.46 0.00 -0.33 1.25 3.08 -1.04 0.22 114.38 118.03 1iv4 h ARG 478 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1iv4 h ARG 478 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1iv4 h ARG 478 CO -0.07 0.40 -0.24 1.49 -1.07 0.00 0.00 179.97 180.48 1iv4 h GLU 479 N 0.00 0.75 -0.72 0.04 4.57 -0.92 -0.45 114.58 117.85 1iv4 h GLU 479 Ca -0.00 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 1iv4 h GLU 479 Cb 0.75 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1iv4 h GLU 479 CO 0.05 0.98 0.34 0.00 -1.18 0.00 0.00 179.01 179.20 1iv4 h ALA 480 N 0.76 1.24 -0.64 2.92 0.00 -0.51 -0.78 119.26 122.25 1iv4 h ALA 480 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1iv4 h ALA 480 Cb 0.80 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1iv4 h ALA 480 CO 0.06 0.58 0.04 0.52 0.00 0.00 0.00 179.25 180.46 1iv4 h MET 481 N 1.02 1.10 -0.60 0.00 2.86 -0.76 -1.51 114.93 117.03 1iv4 h MET 481 Ca 0.25 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1iv4 h MET 481 Cb 0.11 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1iv4 h MET 481 CO -0.03 1.04 0.40 -0.09 1.06 0.00 0.00 176.91 179.29 1iv4 h ARG 482 N 1.01 0.79 -0.36 1.72 2.43 -0.37 -0.94 114.38 118.66 1iv4 h ARG 482 Ca 0.19 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1iv4 h ARG 482 Cb 0.52 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1iv4 h ARG 482 CO 0.02 0.52 0.11 -0.07 -1.51 0.00 0.00 179.97 179.05 1iv4 h LEU 483 N 0.81 0.52 -0.32 3.80 3.38 -0.91 -1.26 115.31 121.33 1iv4 h LEU 483 Ca 0.22 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1iv4 h LEU 483 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1iv4 h LEU 483 CO -0.05 0.59 -0.85 -0.37 0.09 0.00 0.00 178.44 177.85 1iv4 h VAL 484 N 0.43 1.56 -0.62 1.22 -1.51 -1.15 -2.85 116.25 113.33 1iv4 h VAL 484 Ca 0.12 -2.77 -0.02 0.00 -1.23 0.00 0.00 66.70 62.80 1iv4 h VAL 484 Cb 0.25 2.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.90 1iv4 h VAL 484 CO -0.00 0.80 0.32 -0.33 -1.23 0.00 0.00 177.57 177.12 1iv4 h GLU 485 N 0.03 0.86 0.00 5.19 5.08 -1.09 -0.96 114.58 123.69 1iv4 h GLU 485 Ca -0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1iv4 h GLU 485 Cb 1.48 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1iv4 h GLU 485 CO 0.12 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 1iv4 h ALA 486 N 1.48 1.00 -0.47 3.43 0.00 -1.00 -1.76 119.26 121.93 1iv4 h ALA 486 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iv4 h ALA 486 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iv4 h ALA 486 CO -0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.76 1iv4 n ARG 487 N -2.96 2.46 0.00 0.00 1.74 -0.70 -4.93 116.66 112.26 1iv4 n ARG 487 Ca -0.00 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 1iv4 n ARG 487 Cb 0.24 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1iv4 n ARG 487 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv4 n GLY 488 N 1.50 0.53 3.77 -0.13 0.00 -0.66 -5.06 105.19 105.14 1iv4 n GLY 488 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1iv4 n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv4 s ALA 489 N -2.00 3.20 -0.30 4.61 0.00 -0.45 -4.98 121.76 121.84 1iv4 s ALA 489 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1iv4 s ALA 489 Cb 0.00 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1iv4 s ALA 489 CO 0.00 -0.16 -0.00 0.15 0.00 0.00 0.00 175.76 175.75 1iv4 s LYS 490 N -2.11 1.64 0.20 0.00 3.01 -1.26 -4.39 119.74 116.83 1iv4 s LYS 490 Ca 0.53 -1.53 -0.31 0.00 -1.01 0.00 0.00 55.97 53.65 1iv4 s LYS 490 Cb -0.25 -2.92 -0.10 0.00 -1.01 0.00 0.00 37.83 33.56 1iv4 s LYS 490 CO 0.31 -0.79 1.45 -1.17 0.51 0.00 0.00 175.35 175.66 1iv4 s LEU 491 N 1.09 4.38 -0.05 3.17 2.96 -1.26 0.39 118.68 129.36 1iv4 s LEU 491 Ca 0.03 2.57 0.05 0.00 -0.22 0.00 0.00 54.13 56.56 1iv4 s LEU 491 Cb -0.19 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.82 1iv4 s LEU 491 CO -0.08 -0.71 0.04 -0.11 -1.32 0.00 0.00 176.35 174.17 1iv4 n LEU 492 N 3.04 0.00 -3.57 -0.68 7.94 0.17 -4.86 117.00 119.04 1iv4 n LEU 492 Ca 0.09 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1iv4 n LEU 492 Cb 0.40 0.11 -0.06 0.00 0.53 0.00 0.00 43.42 44.41 1iv4 n LEU 492 CO 0.60 0.11 0.58 -1.58 -1.11 0.00 0.00 177.39 175.99 1iv4 s GLN 493 N -2.19 0.81 -0.03 1.96 0.74 -1.01 -4.86 119.66 115.07 1iv4 s GLN 493 Ca -0.03 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.77 1iv4 s GLN 493 Cb 0.02 0.39 0.03 0.00 1.10 0.00 0.00 33.01 34.54 1iv4 s GLN 493 CO 0.24 -0.21 -0.01 0.00 -0.55 0.00 0.00 175.29 174.76 1iv4 s ALA 494 N -0.73 0.40 -0.09 1.58 0.00 -0.64 -1.07 121.76 121.21 1iv4 s ALA 494 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1iv4 s ALA 494 Cb -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1iv4 s ALA 494 CO 0.04 -0.08 -0.08 0.45 0.00 0.00 0.00 175.76 176.09 1iv4 s SER 495 N 1.05 1.91 0.06 0.00 0.15 -0.10 -0.14 113.70 116.62 1iv4 s SER 495 Ca -0.09 -0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.21 1iv4 s SER 495 Cb -0.14 -0.76 -0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1iv4 s SER 495 CO -0.01 -0.09 0.18 -1.48 1.20 0.00 0.00 173.24 173.04 1iv4 s LEU 496 N 1.42 1.46 -0.12 3.45 2.34 0.13 -0.78 118.68 126.58 1iv4 s LEU 496 Ca -0.01 -0.55 0.02 0.00 0.06 0.00 0.00 54.13 53.66 1iv4 s LEU 496 Cb -0.13 0.95 0.01 0.00 -0.56 0.00 0.00 46.19 46.46 1iv4 s LEU 496 CO -0.04 -0.64 -0.18 -0.69 -1.06 0.00 0.00 176.35 173.73 1iv4 s VAL 497 N -3.29 1.74 -0.21 1.48 1.01 -0.48 -2.17 120.40 118.49 1iv4 s VAL 497 Ca 0.01 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1iv4 s VAL 497 Cb 0.02 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1iv4 s VAL 497 CO -0.08 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.86 1iv4 s LEU 498 N 0.85 3.98 -0.25 3.92 1.43 -0.36 -2.10 118.68 126.15 1iv4 s LEU 498 Ca -0.08 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1iv4 s LEU 498 Cb -0.15 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1iv4 s LEU 498 CO -0.00 0.13 0.02 -0.89 0.23 0.00 0.00 176.35 175.83 1iv4 s THR 499 N 0.67 3.76 -0.22 5.49 2.01 0.92 -0.84 115.64 127.44 1iv4 s THR 499 Ca 0.06 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 1iv4 s THR 499 Cb -0.13 -2.78 0.13 0.00 0.01 0.00 0.00 72.50 69.73 1iv4 s THR 499 CO 0.01 0.32 1.03 -1.48 -0.69 0.00 0.00 174.62 173.82 1iv4 s LEU 500 N 1.52 -0.39 0.06 4.42 2.34 0.44 -1.30 118.68 125.77 1iv4 s LEU 500 Ca 0.05 0.58 -0.14 0.00 0.06 0.00 0.00 54.13 54.68 1iv4 s LEU 500 Cb -0.15 1.83 -0.29 0.00 -0.56 0.00 0.00 46.19 47.02 1iv4 s LEU 500 CO -0.00 -0.25 1.10 0.44 -1.06 0.00 0.00 176.35 176.59 1iv4 h ASP 501 N 3.25 0.87 -4.87 1.48 3.32 -1.81 -3.34 116.42 115.31 1iv4 h ASP 501 Ca -0.23 -0.80 -0.12 0.00 0.02 0.00 0.00 57.03 55.90 1iv4 h ASP 501 Cb 1.17 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.24 1iv4 h ASP 501 CO 0.22 1.61 -0.25 0.00 -1.72 0.00 0.00 179.24 179.10 1iv4 s ARG 502 N -2.97 0.67 0.72 3.56 1.70 -1.26 -4.59 118.95 116.78 1iv4 s ARG 502 Ca -0.09 -0.10 -0.11 0.00 -0.47 0.00 0.00 55.73 54.96 1iv4 s ARG 502 Cb 0.06 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1iv4 s ARG 502 CO 0.93 -0.18 1.10 -1.25 -1.08 0.00 0.00 175.30 174.82 1iv4 s PRO 503 N -1.16 2.59 0.23 3.89 0.04 -1.26 -4.92 135.00 134.40 1iv4 s PRO 503 Ca -0.12 0.29 -0.32 0.00 0.04 0.00 0.00 61.00 60.89 1iv4 s PRO 503 Cb -0.05 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1iv4 s PRO 503 CO 0.04 -1.17 1.64 1.63 0.04 0.00 0.00 177.00 179.18 1iv4 n LYS 504 N -3.05 2.58 -0.00 4.56 5.02 -1.26 -4.91 118.16 121.10 1iv4 n LYS 504 Ca 0.07 0.93 0.10 0.00 -2.02 0.00 0.00 58.31 57.38 1iv4 n LYS 504 Cb 0.58 -2.73 -0.13 0.00 -0.02 0.00 0.00 35.03 32.73 1iv4 n LYS 504 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1iv4 n LEU 505 N 3.23 0.42 -0.29 -0.35 4.77 -1.26 -4.50 117.00 119.02 1iv4 n LEU 505 Ca 0.14 -0.23 0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1iv4 n LEU 505 Cb 0.34 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.69 1iv4 n LEU 505 CO 0.64 0.11 1.00 1.23 -1.33 0.00 0.00 177.39 179.03 1iv4 h GLY 506 N 4.04 1.34 2.00 -0.72 0.00 -2.00 0.23 103.07 107.96 1iv4 h GLY 506 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1iv4 h GLY 506 CO 0.00 -0.25 0.00 -2.55 0.00 0.00 0.00 176.54 173.74 1iv4 h PRO 507 N 0.34 0.00 -0.49 4.80 0.11 -2.01 -1.88 132.00 132.87 1iv4 h PRO 507 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1iv4 h PRO 507 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1iv4 h PRO 507 CO -0.53 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.98 1iv4 n HIS 508 N -2.75 0.90 -0.12 0.65 8.25 0.79 -4.71 115.22 118.23 1iv4 n HIS 508 Ca -0.02 -0.58 -0.05 0.00 -0.26 0.00 0.00 57.72 56.81 1iv4 n HIS 508 Cb 0.08 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.10 1iv4 n HIS 508 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv4 h ARG 509 N 3.00 0.19 -0.26 -0.41 2.43 -1.03 -0.21 114.38 118.09 1iv4 h ARG 509 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1iv4 h ARG 509 Cb 1.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1iv4 h ARG 509 CO 0.09 0.12 0.11 -0.22 -1.51 0.00 0.00 179.97 178.56 1iv4 h LYS 510 N 0.19 0.38 -0.51 0.20 3.64 -1.84 -1.59 116.57 117.04 1iv4 h LYS 510 Ca 0.19 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1iv4 h LYS 510 Cb 0.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1iv4 h LYS 510 CO -0.26 0.41 0.04 0.00 -2.27 0.00 0.00 179.45 177.37 1iv4 h ALA 511 N 0.96 1.11 -0.20 5.00 0.00 -1.84 -0.20 119.26 124.09 1iv4 h ALA 511 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1iv4 h ALA 511 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1iv4 h ALA 511 CO -0.01 0.57 0.06 -0.07 0.00 0.00 0.00 179.25 179.81 1iv4 h LEU 512 N 0.78 0.29 -0.50 0.00 3.38 -0.74 -1.12 115.31 117.41 1iv4 h LEU 512 Ca 0.16 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1iv4 h LEU 512 Cb 0.41 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1iv4 h LEU 512 CO 0.01 0.42 -0.08 0.58 0.09 0.00 0.00 178.44 179.47 1iv4 h VAL 513 N 0.15 1.27 -0.88 1.22 2.07 -1.23 -1.92 116.25 116.93 1iv4 h VAL 513 Ca 0.06 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.45 1iv4 h VAL 513 Cb 0.23 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1iv4 h VAL 513 CO -0.00 0.42 0.54 0.44 0.02 0.00 0.00 177.57 178.99 1iv4 h ASP 514 N 0.79 0.84 -0.16 0.57 5.19 -0.94 0.17 116.42 122.90 1iv4 h ASP 514 Ca 0.13 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1iv4 h ASP 514 Cb 0.63 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1iv4 h ASP 514 CO 0.04 0.53 -0.06 -1.28 -3.12 0.00 0.00 179.24 175.35 1iv4 h SER 515 N 0.97 0.32 -0.79 6.45 0.87 -0.92 -1.12 113.55 119.34 1iv4 h SER 515 Ca 0.39 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1iv4 h SER 515 Cb 0.21 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1iv4 h SER 515 CO -0.19 0.65 0.35 -0.07 -0.53 0.00 0.00 176.83 177.04 1iv4 h LEU 516 N -0.00 1.07 -0.37 2.23 3.38 -0.96 -0.60 115.31 120.05 1iv4 h LEU 516 Ca 0.04 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1iv4 h LEU 516 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1iv4 h LEU 516 CO 0.02 0.93 0.22 -1.28 0.09 0.00 0.00 178.44 178.42 1iv4 h SER 517 N 1.15 0.37 -0.23 -0.43 0.87 -0.50 0.41 113.55 115.19 1iv4 h SER 517 Ca 0.27 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1iv4 h SER 517 Cb 0.17 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1iv4 h SER 517 CO -0.03 0.27 -0.27 -0.09 -0.53 0.00 0.00 176.83 176.18 1iv4 h ARG 518 N 0.46 0.59 -0.13 2.24 2.43 -0.83 -1.24 114.38 117.90 1iv4 h ARG 518 Ca 0.15 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1iv4 h ARG 518 Cb -0.01 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1iv4 h ARG 518 CO -0.06 0.93 0.09 -0.07 -1.51 0.00 0.00 179.97 179.34 1iv4 h LEU 519 N 0.29 0.16 -1.14 3.80 -0.00 -0.97 -3.03 115.31 114.41 1iv4 h LEU 519 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1iv4 h LEU 519 Cb 0.83 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1iv4 h LEU 519 CO 0.06 0.12 0.00 0.23 -0.00 0.00 0.00 178.44 178.86 1iv4 n MET 520 N -4.99 1.77 -3.87 1.13 2.81 0.12 -4.95 117.12 109.14 1iv4 n MET 520 Ca -0.05 -1.14 -0.27 0.00 -1.81 0.00 0.00 57.70 54.44 1iv4 n MET 520 Cb 0.03 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1iv4 n MET 520 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv4 n ARG 521 N 0.37 -2.87 -4.55 0.03 1.74 -0.53 -4.99 116.66 105.86 1iv4 n ARG 521 Ca 0.18 0.42 -0.30 0.00 -0.77 0.00 0.00 57.85 57.38 1iv4 n ARG 521 Cb 0.38 -4.43 -0.12 0.00 -1.02 0.00 0.00 32.46 27.26 1iv4 n ARG 521 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv4 s LEU 522 N -6.84 2.57 0.71 0.55 1.43 -0.81 -5.04 118.68 111.24 1iv4 s LEU 522 Ca 0.12 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1iv4 s LEU 522 Cb -0.05 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1iv4 s LEU 522 CO 0.88 0.22 1.21 -2.16 0.23 0.00 0.00 176.35 176.73 1iv4 s PRO 523 N -1.70 2.26 0.50 1.29 0.04 -1.26 -4.56 135.00 131.57 1iv4 s PRO 523 Ca 0.15 1.76 0.22 0.00 0.04 0.00 0.00 61.00 63.17 1iv4 s PRO 523 Cb -0.10 -1.85 1.31 0.00 0.04 0.00 0.00 34.50 33.90 1iv4 s PRO 523 CO 0.07 -1.75 2.07 1.96 0.04 0.00 0.00 177.00 179.39 1iv4 h GLN 524 N -0.15 0.00 0.00 4.56 4.20 -1.95 -0.61 115.11 121.16 1iv4 h GLN 524 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1iv4 h GLN 524 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1iv4 h GLN 524 CO 0.50 0.12 0.00 -0.40 -0.67 0.00 0.00 178.83 178.39 1iv4 n ASP 525 N -4.00 0.00 -0.80 1.46 5.68 -1.26 -2.62 116.55 115.01 1iv4 n ASP 525 Ca -0.02 0.11 0.07 0.00 -0.50 0.00 0.00 54.79 54.45 1iv4 n ASP 525 Cb 0.21 -0.35 0.18 0.00 -1.14 0.00 0.00 41.12 40.02 1iv4 n ASP 525 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv4 n ARG 526 N -1.35 2.48 -3.69 0.11 5.12 -0.24 -4.81 116.66 114.28 1iv4 n ARG 526 Ca 0.09 -2.07 -0.39 0.00 -1.93 0.00 0.00 57.85 53.56 1iv4 n ARG 526 Cb 0.21 -1.34 -0.12 0.00 -1.16 0.00 0.00 32.46 30.04 1iv4 n ARG 526 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv4 s ILE 527 N -1.05 4.08 -0.57 0.55 -1.09 -1.08 -1.62 121.20 120.44 1iv4 s ILE 527 Ca 0.28 -1.04 -0.07 0.00 -2.23 0.00 0.00 60.65 57.59 1iv4 s ILE 527 Cb 0.15 -3.31 0.15 0.00 -1.58 0.00 0.00 42.46 37.87 1iv4 s ILE 527 CO 0.21 -0.21 0.42 -0.83 -1.23 0.00 0.00 174.94 173.29 1iv4 s GLY 528 N 1.47 2.28 -0.14 6.18 0.00 0.80 -5.00 107.32 112.90 1iv4 s GLY 528 Ca -0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 44.72 41.82 1iv4 s GLY 528 CO 0.04 1.12 -0.12 -2.27 0.00 0.00 0.00 173.10 171.87 1iv4 s LEU 529 N 0.67 2.70 0.07 0.66 2.96 -1.26 0.20 118.68 124.68 1iv4 s LEU 529 Ca 0.12 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1iv4 s LEU 529 Cb -0.21 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1iv4 s LEU 529 CO -0.03 0.13 -0.13 0.42 -1.32 0.00 0.00 176.35 175.42 1iv4 s THR 530 N 0.56 0.99 0.04 3.68 -4.23 -0.92 -4.99 115.64 110.76 1iv4 s THR 530 Ca -0.08 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 1iv4 s THR 530 Cb -0.16 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1iv4 s THR 530 CO 0.03 -0.29 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.22 1iv4 s PHE 531 N -1.40 2.38 0.06 3.99 0.08 -1.26 -1.22 117.98 120.61 1iv4 s PHE 531 Ca -0.03 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1iv4 s PHE 531 Cb -0.09 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1iv4 s PHE 531 CO 0.02 0.15 0.10 0.15 -0.10 0.00 0.00 175.22 175.54 1iv4 s LYS 532 N -1.27 0.70 0.83 0.44 -0.14 -0.02 -4.95 119.74 115.34 1iv4 s LYS 532 Ca 0.12 -0.96 -0.08 0.00 -1.36 0.00 0.00 55.97 53.69 1iv4 s LYS 532 Cb -0.10 0.27 0.16 0.00 -1.68 0.00 0.00 37.83 36.48 1iv4 s LYS 532 CO 0.03 -0.19 1.15 0.95 -0.76 0.00 0.00 175.35 176.53 1iv4 s THR 533 N -3.46 2.08 -2.93 2.17 -4.23 -1.25 -0.42 115.64 107.60 1iv4 s THR 533 Ca 0.02 -0.29 0.24 0.00 -1.18 0.00 0.00 61.69 60.48 1iv4 s THR 533 Cb 0.04 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.31 1iv4 s THR 533 CO -0.09 0.00 1.29 -1.54 -0.54 0.00 0.00 174.62 173.75 1iv4 n SER 534 N -3.28 3.00 -4.06 3.99 3.41 -1.26 -4.66 113.62 110.76 1iv4 n SER 534 Ca 0.15 -1.98 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1iv4 n SER 534 Cb 0.60 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1iv4 n SER 534 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv4 n GLU 535 N 1.33 -4.00 -0.81 4.33 -0.58 -1.26 -1.19 120.64 118.46 1iv4 n GLU 535 Ca 0.15 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1iv4 n GLU 535 Cb 0.59 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 1iv4 n GLU 535 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv4 n GLY 536 N -1.60 1.21 0.16 0.62 0.00 -1.26 -4.92 105.19 99.39 1iv4 n GLY 536 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1iv4 n GLY 536 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv4 h LEU 537 N 0.00 0.36 -5.84 0.99 5.85 -1.56 -3.39 115.31 111.72 1iv4 h LEU 537 Ca 0.00 -0.25 -0.46 0.00 0.84 0.00 0.00 57.88 58.01 1iv4 h LEU 537 Cb 0.00 -0.11 -0.36 0.00 0.37 0.00 0.00 40.66 40.56 1iv4 h LEU 537 CO 0.00 0.98 -1.06 0.00 -0.34 0.00 0.00 178.44 178.02 1iv4 n ALA 538 N -2.49 1.63 0.48 1.25 0.00 -1.26 -4.99 120.51 115.14 1iv4 n ALA 538 Ca -0.04 -3.09 0.11 0.00 0.00 0.00 0.00 53.44 50.42 1iv4 n ALA 538 Cb 0.72 -0.95 0.45 0.00 0.00 0.00 0.00 19.45 19.67 1iv4 n ALA 538 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iv4 n PRO 539 N 0.61 0.15 -0.56 0.00 -0.04 -1.26 -2.63 135.00 131.27 1iv4 n PRO 539 Ca 0.21 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 64.04 1iv4 n PRO 539 Cb 0.63 -1.76 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 1iv4 n PRO 539 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iv4 n SER 540 N -2.04 3.15 -4.12 3.54 7.64 -1.26 -4.76 113.62 115.76 1iv4 n SER 540 Ca 0.03 -3.34 -0.14 0.00 1.01 0.00 0.00 58.87 56.43 1iv4 n SER 540 Cb 0.25 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.77 1iv4 n SER 540 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv4 s HIS 541 N -3.01 0.89 -0.08 1.43 3.76 -1.08 -0.32 115.29 116.87 1iv4 s HIS 541 Ca 0.42 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1iv4 s HIS 541 Cb 0.36 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 1iv4 s HIS 541 CO 0.05 -0.05 -0.05 0.54 -0.85 0.00 0.00 174.74 174.38 1iv4 s VAL 542 N -1.87 3.86 0.03 -0.90 0.11 -0.17 -4.60 120.40 116.86 1iv4 s VAL 542 Ca -0.02 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1iv4 s VAL 542 Cb -0.07 -2.60 -0.02 0.00 -1.53 0.00 0.00 36.38 32.16 1iv4 s VAL 542 CO 0.00 0.58 -0.14 -1.10 -3.33 0.00 0.00 175.10 171.11 1iv4 s GLN 543 N -0.65 1.00 -0.01 1.54 -0.21 -0.42 -1.14 119.66 119.77 1iv4 s GLN 543 Ca 0.10 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 1iv4 s GLN 543 Cb -0.12 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 32.90 1iv4 s GLN 543 CO 0.02 0.25 0.03 0.00 -2.12 0.00 0.00 175.29 173.47 1iv4 s ALA 544 N -0.74 -0.06 -0.03 6.09 0.00 0.02 -0.05 121.76 126.98 1iv4 s ALA 544 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1iv4 s ALA 544 Cb -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1iv4 s ALA 544 CO 0.01 -0.02 -0.03 1.03 0.00 0.00 0.00 175.76 176.74 1iv4 s ARG 545 N 0.13 0.62 0.01 0.00 0.52 -0.89 -0.88 118.95 118.46 1iv4 s ARG 545 Ca -0.01 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1iv4 s ARG 545 Cb -0.02 -0.67 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 1iv4 s ARG 545 CO -0.00 -0.06 -0.07 0.00 0.02 0.00 0.00 175.30 175.19 1iv4 s ALA 546 N 0.77 0.54 -0.06 2.13 0.00 0.66 -1.38 121.76 124.42 1iv4 s ALA 546 Ca -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1iv4 s ALA 546 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1iv4 s ALA 546 CO -0.00 0.08 -0.17 0.08 0.00 0.00 0.00 175.76 175.75 1iv4 s VAL 547 N -0.55 2.79 0.14 0.00 1.01 0.04 -0.98 120.40 122.84 1iv4 s VAL 547 Ca -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1iv4 s VAL 547 Cb -0.05 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1iv4 s VAL 547 CO 0.00 0.57 -0.19 0.68 0.00 0.00 0.00 175.10 176.16 1iv4 s VAL 548 N -0.44 2.72 -0.09 2.92 -7.23 0.05 -0.93 120.40 117.41 1iv4 s VAL 548 Ca 0.05 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1iv4 s VAL 548 Cb -0.12 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1iv4 s VAL 548 CO 0.02 0.05 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.43 1iv4 s LEU 549 N -2.26 1.97 0.03 1.32 2.96 -0.24 -1.84 118.68 120.62 1iv4 s LEU 549 Ca 0.18 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1iv4 s LEU 549 Cb -0.10 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1iv4 s LEU 549 CO 0.10 0.14 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.35 1iv4 s LEU 550 N 0.37 2.14 0.00 -0.68 1.02 0.01 -0.66 118.68 120.88 1iv4 s LEU 550 Ca -0.16 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.56 1iv4 s LEU 550 Cb -0.17 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.33 1iv4 s LEU 550 CO 0.07 0.09 0.00 0.47 0.02 0.00 0.00 176.35 177.00