#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it3 s ILE 402 N 0.00 3.60 0.24 4.25 1.01 -1.26 -4.53 121.20 124.50 1it3 s ILE 402 Ca 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.30 1it3 s ILE 402 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1it3 s ILE 402 CO 0.00 0.47 -0.08 -0.63 0.00 0.00 0.00 174.94 174.70 1it3 s ILE 403 N 0.73 3.14 -0.00 2.92 1.01 -1.26 -5.02 121.20 122.72 1it3 s ILE 403 Ca -0.02 -1.93 0.01 0.00 0.00 0.00 0.00 60.65 58.70 1it3 s ILE 403 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1it3 s ILE 403 CO 0.02 -0.28 0.68 -0.90 0.00 0.00 0.00 174.94 174.46 1it3 n ASP 404 N -0.49 0.54 -3.75 3.58 3.85 -1.26 -3.84 116.55 115.17 1it3 n ASP 404 Ca -0.08 -1.38 -0.13 0.00 -0.71 0.00 0.00 54.79 52.49 1it3 n ASP 404 Cb 0.58 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 40.22 1it3 n ASP 404 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1it3 s GLN 405 N -0.32 0.49 0.00 0.11 -0.21 -1.26 -4.16 119.66 114.31 1it3 s GLN 405 Ca 0.01 0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.66 1it3 s GLN 405 Cb 0.01 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1it3 s GLN 405 CO 0.00 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 1it3 n GLY 406 N 2.37 0.60 3.76 3.09 0.00 -1.26 -5.03 105.19 108.72 1it3 n GLY 406 Ca -0.16 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.17 1it3 n GLY 406 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1it3 s PRO 407 N -0.61 4.50 -0.02 1.61 0.04 -1.26 -4.96 135.00 134.30 1it3 s PRO 407 Ca 0.00 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1it3 s PRO 407 Cb 0.00 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1it3 s PRO 407 CO 0.00 0.01 1.82 -1.17 0.04 0.00 0.00 177.00 177.71 1it3 s LEU 408 N -1.63 4.32 0.72 -3.56 2.96 -1.26 -4.99 118.68 115.25 1it3 s LEU 408 Ca 0.47 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.67 1it3 s LEU 408 Cb -0.36 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 42.83 1it3 s LEU 408 CO 0.47 -1.04 1.07 -2.84 -1.32 0.00 0.00 176.35 172.69 1it3 s PRO 409 N 4.36 2.71 -0.11 0.98 0.02 -1.26 -5.03 135.00 136.67 1it3 s PRO 409 Ca 0.82 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1it3 s PRO 409 Cb -0.37 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 1it3 s PRO 409 CO 0.35 -1.27 -0.10 0.99 -0.33 0.00 0.00 177.00 176.64 1it3 s THR 410 N -3.01 3.34 -0.25 0.99 2.01 -1.26 -4.94 115.64 112.52 1it3 s THR 410 Ca 0.59 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1it3 s THR 410 Cb -0.15 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 1it3 s THR 410 CO 0.55 0.55 1.39 -0.76 -0.69 0.00 0.00 174.62 175.66 1it3 s LEU 411 N -0.08 3.93 0.49 4.42 1.02 -1.26 -5.00 118.68 122.20 1it3 s LEU 411 Ca -0.01 1.41 -0.12 0.00 0.02 0.00 0.00 54.13 55.43 1it3 s LEU 411 Cb -0.14 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.47 1it3 s LEU 411 CO 0.03 -1.09 0.90 0.42 0.02 0.00 0.00 176.35 176.64 1it3 s THR 412 N 4.49 4.69 0.38 5.49 -4.23 -1.26 -4.89 115.64 120.31 1it3 s THR 412 Ca 0.61 0.85 0.34 0.00 -1.18 0.00 0.00 61.69 62.30 1it3 s THR 412 Cb -0.20 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.21 1it3 s THR 412 CO 0.24 -0.73 2.03 0.44 -0.54 0.00 0.00 174.62 176.05 1it3 h ASP 413 N 0.73 0.00 0.78 3.99 3.32 -1.99 0.21 116.42 123.46 1it3 h ASP 413 Ca -0.46 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.34 1it3 h ASP 413 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1it3 h ASP 413 CO 0.62 0.00 -1.21 1.23 -1.72 0.00 0.00 179.24 178.16 1it3 h GLY 414 N 0.00 0.11 0.64 2.75 0.00 -1.99 -2.74 103.07 101.83 1it3 h GLY 414 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1it3 h GLY 414 CO 0.00 0.24 -0.10 -0.55 0.00 0.00 0.00 176.54 176.12 1it3 h ASP 415 N 0.03 0.24 -0.95 0.19 3.32 -0.99 -2.54 116.42 115.71 1it3 h ASP 415 Ca -0.10 -0.51 0.09 0.00 0.02 0.00 0.00 57.03 56.53 1it3 h ASP 415 Cb 1.88 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 41.29 1it3 h ASP 415 CO 0.14 0.70 0.60 0.11 -1.72 0.00 0.00 179.24 179.07 1it3 h LYS 416 N -0.22 0.99 -0.40 3.56 1.57 -1.36 -0.26 116.57 120.45 1it3 h LYS 416 Ca 0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1it3 h LYS 416 Cb 0.64 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1it3 h LYS 416 CO 0.02 0.66 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.26 1it3 h LYS 417 N 1.02 0.77 -0.34 3.15 3.64 -1.45 0.29 116.57 123.66 1it3 h LYS 417 Ca 0.44 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1it3 h LYS 417 Cb 0.31 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1it3 h LYS 417 CO -0.22 0.89 -0.02 0.00 -2.27 0.00 0.00 179.45 177.84 1it3 h ALA 418 N 0.85 0.46 0.42 5.00 0.00 -1.02 -3.04 119.26 121.93 1it3 h ALA 418 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1it3 h ALA 418 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1it3 h ALA 418 CO 0.04 0.23 -0.20 0.82 0.00 0.00 0.00 179.25 180.14 1it3 h ILE 419 N 0.41 0.56 0.00 0.00 2.04 -1.01 -2.82 117.51 116.69 1it3 h ILE 419 Ca 0.09 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1it3 h ILE 419 Cb 0.48 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1it3 h ILE 419 CO 0.02 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.82 1it3 n ASN 420 N -5.26 0.01 -0.09 1.72 3.02 0.10 -2.49 115.26 112.27 1it3 n ASN 420 Ca -0.11 -0.11 -0.13 0.00 -0.03 0.00 0.00 54.58 54.20 1it3 n ASN 420 Cb 0.28 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 1it3 n ASN 420 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1it3 n LYS 421 N -0.39 0.43 0.04 3.52 3.00 -1.07 -4.67 118.16 119.02 1it3 n LYS 421 Ca 0.00 0.11 0.07 0.00 -0.00 0.00 0.00 58.31 58.49 1it3 n LYS 421 Cb 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 1it3 n LYS 421 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1it3 n ILE 422 N -3.08 0.62 -0.13 3.15 5.41 -1.04 -4.33 119.36 119.96 1it3 n ILE 422 Ca -0.31 -0.59 0.08 0.00 1.00 0.00 0.00 62.75 62.93 1it3 n ILE 422 Cb 0.82 -0.34 0.42 0.00 -0.71 0.00 0.00 39.64 39.83 1it3 n ILE 422 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1it3 h TRP 423 N 0.00 0.62 0.19 1.39 2.91 -1.77 -1.83 115.95 117.45 1it3 h TRP 423 Ca -0.07 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 1it3 h TRP 423 Cb 1.21 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.65 1it3 h TRP 423 CO 0.00 0.32 -0.13 -1.35 -1.03 0.00 0.00 178.44 176.25 1it3 h PRO 424 N 0.60 -0.31 0.00 2.65 0.11 -1.85 0.70 132.00 133.90 1it3 h PRO 424 Ca 0.29 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 1it3 h PRO 424 Cb 0.35 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1it3 h PRO 424 CO -0.09 -0.20 -0.24 1.57 -0.21 0.00 0.00 178.00 178.82 1it3 h LYS 425 N -0.32 0.00 0.03 1.05 -0.00 -1.78 -0.96 116.57 114.60 1it3 h LYS 425 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 60.65 60.38 1it3 h LYS 425 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 32.52 1it3 h LYS 425 CO 0.01 0.24 -1.06 0.82 -0.00 0.00 0.00 179.45 179.46 1it3 h ILE 426 N 0.00 1.33 -0.31 0.07 1.08 -0.82 -3.12 117.51 115.74 1it3 h ILE 426 Ca -0.00 -2.39 -0.14 0.00 -0.39 0.00 0.00 64.86 61.93 1it3 h ILE 426 Cb 0.50 2.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1it3 h ILE 426 CO 0.03 0.73 -0.38 0.22 -0.69 0.00 0.00 178.15 178.06 1it3 h TYR 427 N 0.30 0.87 -0.43 1.37 3.20 0.80 -2.70 116.97 120.39 1it3 h TYR 427 Ca -0.13 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1it3 h TYR 427 Cb 1.72 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.78 1it3 h TYR 427 CO 0.09 1.00 0.17 -0.22 -1.64 0.00 0.00 178.16 177.56 1it3 h LYS 428 N 0.60 0.60 -0.84 1.82 3.11 -1.23 -2.56 116.57 118.07 1it3 h LYS 428 Ca 0.05 -0.08 -0.54 0.00 -2.81 0.00 0.00 60.65 57.28 1it3 h LYS 428 Cb 0.92 -0.11 -0.29 0.00 -1.00 0.00 0.00 32.23 31.74 1it3 h LYS 428 CO 0.08 0.50 0.32 0.39 -2.81 0.00 0.00 179.45 177.93 1it3 n GLU 429 N -4.37 2.66 0.26 1.90 1.02 -1.13 -4.69 120.64 116.29 1it3 n GLU 429 Ca 0.03 -3.41 0.10 0.00 -0.02 0.00 0.00 57.16 53.86 1it3 n GLU 429 Cb 0.14 -2.19 0.68 0.00 -0.02 0.00 0.00 31.44 30.06 1it3 n GLU 429 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1it3 h TYR 430 N 1.69 0.00 -0.02 -0.32 -0.00 -1.13 -2.36 116.97 114.83 1it3 h TYR 430 Ca 0.50 0.00 0.01 0.00 0.00 0.00 0.00 58.73 59.24 1it3 h TYR 430 Cb 1.47 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.19 1it3 h TYR 430 CO 1.28 0.10 -0.03 1.49 -0.00 0.00 0.00 178.16 181.00 1it3 h GLU 431 N 0.00 -0.04 0.04 0.10 4.57 -1.86 0.53 114.58 117.92 1it3 h GLU 431 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1it3 h GLU 431 Cb 0.21 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1it3 h GLU 431 CO 0.01 -0.03 -0.02 -0.56 -1.18 0.00 0.00 179.01 177.24 1it3 h GLN 432 N -0.04 -0.05 0.44 1.92 3.07 -1.93 -3.30 115.11 115.23 1it3 h GLN 432 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 1it3 h GLN 432 Cb 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.61 1it3 h GLN 432 CO -0.05 0.63 -0.49 1.88 0.09 0.00 0.00 178.83 180.89 1it3 h TYR 433 N -0.84 -1.35 -0.60 0.06 0.99 -1.46 -1.58 116.97 112.20 1it3 h TYR 433 Ca -0.00 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.86 1it3 h TYR 433 Cb 0.70 0.53 -0.10 0.00 1.00 0.00 0.00 36.73 38.86 1it3 h TYR 433 CO 0.17 -0.64 0.05 0.66 -0.00 0.00 0.00 178.16 178.40 1it3 h SER 434 N -0.95 -0.16 -0.12 3.88 4.64 -1.07 -1.16 113.55 118.61 1it3 h SER 434 Ca -0.05 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1it3 h SER 434 Cb 0.84 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1it3 h SER 434 CO -0.09 -0.07 -0.00 0.25 -0.87 0.00 0.00 176.83 176.05 1it3 h LEU 435 N 0.17 0.21 -1.85 5.97 6.46 -1.62 -2.73 115.31 121.93 1it3 h LEU 435 Ca 0.32 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1it3 h LEU 435 Cb 0.50 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1it3 h LEU 435 CO -0.47 0.48 -0.01 0.78 -0.62 0.00 0.00 178.44 178.60 1it3 h ASN 436 N -0.06 0.07 0.15 1.25 -0.26 -0.90 -0.21 115.58 115.63 1it3 h ASN 436 Ca 0.03 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1it3 h ASN 436 Cb 0.37 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1it3 h ASN 436 CO 0.01 0.10 -0.07 0.40 -1.06 0.00 0.00 177.43 176.80 1it3 h ILE 437 N 0.08 0.90 -0.67 2.81 2.04 -1.17 -2.49 117.51 119.00 1it3 h ILE 437 Ca 0.02 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1it3 h ILE 437 Cb 0.08 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1it3 h ILE 437 CO 0.00 0.23 0.23 0.25 0.00 0.00 0.00 178.15 178.86 1it3 h LEU 438 N -0.83 0.94 -0.35 1.44 5.85 -1.35 -2.04 115.31 118.97 1it3 h LEU 438 Ca -0.02 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1it3 h LEU 438 Cb 0.53 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1it3 h LEU 438 CO 0.03 0.86 0.20 -0.07 -0.34 0.00 0.00 178.44 179.13 1it3 h LEU 439 N 0.99 0.32 -0.99 2.25 3.38 -1.11 -0.18 115.31 119.96 1it3 h LEU 439 Ca 0.22 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1it3 h LEU 439 Cb 0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1it3 h LEU 439 CO -0.01 0.23 0.36 -0.09 0.09 0.00 0.00 178.44 179.02 1it3 h ARG 440 N 0.40 1.08 -0.16 1.13 2.43 -1.04 -2.08 114.38 116.14 1it3 h ARG 440 Ca 0.14 -0.15 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 1it3 h ARG 440 Cb 0.01 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1it3 h ARG 440 CO -0.07 0.83 -0.70 0.35 -1.51 0.00 0.00 179.97 178.87 1it3 h PHE 441 N 1.07 0.89 -0.25 2.20 3.57 -0.97 -2.08 116.94 121.36 1it3 h PHE 441 Ca 0.26 -0.37 -0.12 0.00 3.53 0.00 0.00 57.97 61.27 1it3 h PHE 441 Cb 0.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1it3 h PHE 441 CO 0.01 1.17 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.83 1it3 h LEU 442 N 0.47 0.58 -0.25 0.59 3.38 -0.89 -1.52 115.31 117.68 1it3 h LEU 442 Ca -0.03 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1it3 h LEU 442 Cb 1.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1it3 h LEU 442 CO 0.14 0.90 -0.85 0.07 0.09 0.00 0.00 178.44 178.78 1it3 h LYS 443 N 0.47 0.00 0.07 1.13 2.10 -1.39 -3.07 116.57 115.88 1it3 h LYS 443 Ca 0.05 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.45 1it3 h LYS 443 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1it3 h LYS 443 CO 0.07 0.85 -1.10 0.00 -2.00 0.00 0.00 179.45 177.28 1it3 n PHE 445 N -3.62 2.05 -0.16 0.00 3.01 -0.58 -4.96 117.46 113.19 1it3 n PHE 445 Ca -0.07 -3.97 0.26 0.00 1.01 0.00 0.00 57.45 54.68 1it3 n PHE 445 Cb 0.93 -0.40 0.70 0.00 -0.01 0.00 0.00 39.48 40.70 1it3 n PHE 445 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1it3 h PRO 446 N 4.89 0.04 -0.09 -1.08 0.11 -1.73 0.95 132.00 135.09 1it3 h PRO 446 Ca 0.18 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1it3 h PRO 446 Cb 0.77 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1it3 h PRO 446 CO 0.65 0.03 -0.15 1.96 -0.21 0.00 0.00 178.00 180.28 1it3 h GLN 447 N 0.04 0.14 0.00 1.05 1.08 -1.93 -0.96 115.11 114.54 1it3 h GLN 447 Ca 0.40 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 1it3 h GLN 447 Cb 1.54 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 1it3 h GLN 447 CO -0.02 0.30 -0.24 0.00 -0.95 0.00 0.00 178.83 177.91 1it3 h ALA 448 N 1.72 1.33 -0.42 3.87 0.00 -1.14 -3.08 119.26 121.54 1it3 h ALA 448 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1it3 h ALA 448 Cb 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1it3 h ALA 448 CO 0.02 0.30 0.22 1.96 0.00 0.00 0.00 179.25 181.75 1it3 h GLN 449 N 0.00 0.43 0.00 0.00 4.20 -1.21 -1.99 115.11 116.53 1it3 h GLN 449 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1it3 h GLN 449 Cb 0.51 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1it3 h GLN 449 CO 0.03 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 1it3 n ALA 450 N -2.28 1.22 0.19 3.87 0.00 -1.16 -2.05 120.51 120.29 1it3 n ALA 450 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1it3 n ALA 450 Cb 0.09 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 18.75 1it3 n ALA 450 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1it3 h SER 451 N 0.00 0.00 -3.01 0.00 0.02 -1.50 -3.40 113.55 105.67 1it3 h SER 451 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 1it3 h SER 451 Cb 0.09 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.41 1it3 h SER 451 CO 0.00 0.38 -0.01 -0.36 -1.14 0.00 0.00 176.83 175.70 1it3 s PHE 452 N -3.58 3.09 0.14 3.45 0.40 -0.87 -4.94 117.98 115.68 1it3 s PHE 452 Ca 0.00 -1.03 0.31 0.00 -0.60 0.00 0.00 56.93 55.61 1it3 s PHE 452 Cb 0.11 -3.87 1.67 0.00 0.51 0.00 0.00 43.02 41.44 1it3 s PHE 452 CO 0.69 -1.17 1.94 -1.00 0.70 0.00 0.00 175.22 176.38 1it3 h PRO 453 N 9.06 0.00 0.00 0.24 0.13 -1.86 -2.96 132.00 136.61 1it3 h PRO 453 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1it3 h PRO 453 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1it3 h PRO 453 CO 1.06 0.00 -0.82 0.87 -0.23 0.00 0.00 178.00 178.89 1it3 h LYS 454 N 0.00 0.00 -3.13 0.86 1.57 -1.95 -3.46 116.57 110.45 1it3 h LYS 454 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1it3 h LYS 454 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 1it3 h LYS 454 CO 0.00 0.00 -0.51 -0.59 -0.57 0.00 0.00 179.45 177.78 1it3 s PHE 455 N -3.27 -0.27 0.00 -1.35 -0.12 -1.12 -4.87 117.98 106.99 1it3 s PHE 455 Ca 0.03 0.66 0.00 0.00 -0.05 0.00 0.00 56.93 57.56 1it3 s PHE 455 Cb 0.11 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 1it3 s PHE 455 CO 0.76 -0.18 0.13 0.43 -0.05 0.00 0.00 175.22 176.30 1it3 n SER 456 N 3.87 0.00 -3.25 1.98 7.64 -1.26 -4.73 113.62 117.88 1it3 n SER 456 Ca -0.22 -0.28 -0.16 0.00 1.01 0.00 0.00 58.87 59.22 1it3 n SER 456 Cb 0.54 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.90 1it3 n SER 456 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1it3 n THR 457 N 0.00 0.00 -1.52 0.44 -1.04 -1.26 -4.77 114.28 106.13 1it3 n THR 457 Ca 0.00 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 1it3 n THR 457 Cb 0.14 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.11 1it3 n THR 457 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1it3 n LYS 458 N -3.02 0.86 0.10 -2.82 0.00 -1.26 -4.71 118.16 107.30 1it3 n LYS 458 Ca 0.07 0.30 0.20 0.00 -0.00 0.00 0.00 58.31 58.88 1it3 n LYS 458 Cb 0.32 -1.54 0.76 0.00 -0.00 0.00 0.00 35.03 34.57 1it3 n LYS 458 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1it3 h LYS 459 N 1.61 0.00 0.00 -1.58 1.57 -2.02 0.27 116.57 116.42 1it3 h LYS 459 Ca -0.35 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1it3 h LYS 459 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1it3 h LYS 459 CO 0.59 0.00 -0.07 0.77 -0.57 0.00 0.00 179.45 180.17 1it3 h SER 460 N 0.00 0.00 1.12 0.86 0.02 -2.00 -2.99 113.55 110.55 1it3 h SER 460 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1it3 h SER 460 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1it3 h SER 460 CO -0.00 0.07 -0.88 -1.13 -1.14 0.00 0.00 176.83 173.75 1it3 h ASN 461 N 0.00 0.00 -0.86 3.07 -0.00 -0.78 -3.38 115.58 113.63 1it3 h ASN 461 Ca -0.00 -0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.47 1it3 h ASN 461 Cb 0.84 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 39.00 1it3 h ASN 461 CO 0.01 0.00 -0.22 0.25 -0.00 0.00 0.00 177.43 177.47 1it3 h LEU 462 N 0.00 -0.83 0.00 0.34 5.85 -1.32 0.61 115.31 119.96 1it3 h LEU 462 Ca 0.00 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1it3 h LEU 462 Cb 1.00 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1it3 h LEU 462 CO 0.00 -0.29 0.00 -1.84 -0.34 0.00 0.00 178.44 175.97 1it3 n GLU 463 N -5.55 0.17 0.00 1.25 0.00 -1.26 -1.49 120.64 113.76 1it3 n GLU 463 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1it3 n GLU 463 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.37 1it3 n GLU 463 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1it3 n GLN 464 N -1.19 -0.11 -2.46 3.44 1.13 0.20 -5.02 117.38 113.37 1it3 n GLN 464 Ca 0.05 -0.56 -0.43 0.00 -1.94 0.00 0.00 57.00 54.12 1it3 n GLN 464 Cb 0.05 -0.87 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 1it3 n GLN 464 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1it3 s ASP 465 N -0.16 6.61 0.50 1.08 -1.08 -0.25 -4.92 116.67 118.45 1it3 s ASP 465 Ca 0.00 0.97 0.18 0.00 -0.52 0.00 0.00 52.55 53.18 1it3 s ASP 465 Cb 0.00 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.14 1it3 s ASP 465 CO 0.00 -1.18 2.06 1.55 0.52 0.00 0.00 175.17 178.12 1it3 h PRO 466 N 9.50 0.13 0.00 4.34 0.13 -1.91 -1.89 132.00 142.30 1it3 h PRO 466 Ca -0.25 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1it3 h PRO 466 Cb 1.09 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1it3 h PRO 466 CO 1.06 0.09 -0.17 0.93 -0.23 0.00 0.00 178.00 179.68 1it3 h GLU 467 N 0.13 0.00 0.02 0.86 4.39 -1.91 -0.34 114.58 117.73 1it3 h GLU 467 Ca 0.15 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 1it3 h GLU 467 Cb 0.43 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1it3 h GLU 467 CO -0.02 0.17 -0.40 0.28 -1.16 0.00 0.00 179.01 177.89 1it3 h VAL 468 N 0.00 1.53 -0.39 3.13 2.07 -1.68 -2.09 116.25 118.84 1it3 h VAL 468 Ca -0.00 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 1it3 h VAL 468 Cb 0.94 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1it3 h VAL 468 CO 0.02 0.58 0.15 0.50 0.02 0.00 0.00 177.57 178.85 1it3 h LYS 469 N -0.42 0.54 0.86 1.57 3.64 -1.42 -0.82 116.57 120.52 1it3 h LYS 469 Ca -0.05 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1it3 h LYS 469 Cb 1.17 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1it3 h LYS 469 CO 0.08 0.45 -0.41 1.25 -2.27 0.00 0.00 179.45 178.54 1it3 h HIS 470 N 0.54 -1.07 -0.13 1.91 2.76 -1.03 -3.01 115.15 115.11 1it3 h HIS 470 Ca 0.13 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1it3 h HIS 470 Cb 0.11 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1it3 h HIS 470 CO 0.01 -0.67 0.10 0.37 -1.30 0.00 0.00 177.93 176.44 1it3 h GLN 471 N -1.29 0.00 -0.23 5.26 5.75 -1.11 -2.05 115.11 121.44 1it3 h GLN 471 Ca -0.12 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 1it3 h GLN 471 Cb 0.89 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 1it3 h GLN 471 CO 0.19 0.00 -0.15 0.00 -2.65 0.00 0.00 178.83 176.22 1it3 h ALA 472 N 1.93 1.32 0.00 3.38 0.00 -1.05 -1.99 119.26 122.84 1it3 h ALA 472 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1it3 h ALA 472 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1it3 h ALA 472 CO -0.00 0.46 -0.83 0.28 0.00 0.00 0.00 179.25 179.16 1it3 h VAL 473 N 0.36 0.69 -0.52 0.00 2.07 -1.25 -2.79 116.25 114.80 1it3 h VAL 473 Ca 0.07 -2.07 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 1it3 h VAL 473 Cb 0.48 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1it3 h VAL 473 CO 0.03 0.39 -0.13 0.58 0.02 0.00 0.00 177.57 178.46 1it3 h VAL 474 N 0.00 1.27 -0.05 2.57 2.07 -1.17 0.39 116.25 121.32 1it3 h VAL 474 Ca -0.06 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1it3 h VAL 474 Cb 1.43 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1it3 h VAL 474 CO 0.05 0.45 -0.01 0.40 0.02 0.00 0.00 177.57 178.48 1it3 h ILE 475 N 0.89 1.29 -0.34 4.57 2.04 -1.41 -2.59 117.51 121.96 1it3 h ILE 475 Ca 0.13 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1it3 h ILE 475 Cb 0.70 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1it3 h ILE 475 CO 0.05 0.25 0.08 0.15 0.00 0.00 0.00 178.15 178.68 1it3 h PHE 476 N -0.24 0.57 -0.86 1.37 3.57 -1.42 -0.84 116.94 119.08 1it3 h PHE 476 Ca 0.01 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1it3 h PHE 476 Cb 0.40 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1it3 h PHE 476 CO 0.05 0.58 0.56 -0.91 -2.23 0.00 0.00 178.31 176.36 1it3 h ASN 477 N 0.39 0.65 0.33 0.41 4.21 -0.26 0.27 115.58 121.58 1it3 h ASN 477 Ca 0.11 0.03 -0.22 0.00 1.21 0.00 0.00 56.30 57.42 1it3 h ASN 477 Cb 0.30 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1it3 h ASN 477 CO 0.00 0.35 -0.93 0.50 -1.29 0.00 0.00 177.43 176.06 1it3 h LYS 478 N 0.70 0.41 -0.45 0.81 1.63 -1.02 -2.73 116.57 115.91 1it3 h LYS 478 Ca 0.42 -0.44 -0.13 0.00 -0.85 0.00 0.00 60.65 59.65 1it3 h LYS 478 Cb 0.64 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1it3 h LYS 478 CO -0.18 1.10 -0.25 0.28 -3.45 0.00 0.00 179.45 176.95 1it3 h VAL 479 N 0.23 1.27 -0.70 2.00 2.07 0.08 -1.01 116.25 120.20 1it3 h VAL 479 Ca -0.08 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1it3 h VAL 479 Cb 1.56 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1it3 h VAL 479 CO 0.16 0.48 0.30 -1.13 0.02 0.00 0.00 177.57 177.40 1it3 h ASN 480 N 0.82 0.94 -0.08 0.57 -0.73 -1.04 -1.97 115.58 114.08 1it3 h ASN 480 Ca 0.10 -0.16 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 1it3 h ASN 480 Cb 0.82 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 39.16 1it3 h ASN 480 CO 0.07 0.84 0.04 -0.08 -0.37 0.00 0.00 177.43 177.93 1it3 h GLU 481 N 0.98 0.11 -0.12 6.67 4.81 -1.24 -2.12 114.58 123.67 1it3 h GLU 481 Ca 0.23 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1it3 h GLU 481 Cb 0.18 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1it3 h GLU 481 CO -0.02 0.21 -0.13 0.82 -0.73 0.00 0.00 179.01 179.15 1it3 h ILE 482 N -0.01 0.64 -0.08 2.32 2.04 -1.05 -0.60 117.51 120.76 1it3 h ILE 482 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1it3 h ILE 482 Cb 0.13 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1it3 h ILE 482 CO -0.00 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.69 1it3 h ILE 483 N -0.16 0.30 -0.00 -0.67 2.04 -1.22 0.13 117.51 117.93 1it3 h ILE 483 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1it3 h ILE 483 Cb 0.29 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1it3 h ILE 483 CO -0.22 0.00 -0.06 0.59 0.00 0.00 0.00 178.15 178.46 1it3 n ASN 484 N -3.51 0.16 -0.53 1.72 3.02 -0.24 -3.46 115.26 112.42 1it3 n ASN 484 Ca -0.01 -0.13 0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1it3 n ASN 484 Cb 0.23 -0.24 0.18 0.00 -0.61 0.00 0.00 39.78 39.34 1it3 n ASN 484 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1it3 n SER 485 N -1.26 1.77 0.27 6.41 3.41 0.03 -4.73 113.62 119.52 1it3 n SER 485 Ca 0.12 -3.54 0.14 0.00 -0.26 0.00 0.00 58.87 55.33 1it3 n SER 485 Cb 0.28 -0.48 0.75 0.00 -0.26 0.00 0.00 64.21 64.50 1it3 n SER 485 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1it3 h MET 486 N 0.74 0.00 0.00 4.33 2.86 -1.58 -0.31 114.93 120.96 1it3 h MET 486 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1it3 h MET 486 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1it3 h MET 486 CO 0.01 0.10 -0.20 -0.25 1.06 0.00 0.00 176.91 177.63 1it3 n ASP 487 N -3.56 0.75 -3.66 1.22 8.00 -1.26 -4.20 116.55 113.83 1it3 n ASP 487 Ca -0.02 0.42 -0.27 0.00 0.71 0.00 0.00 54.79 55.63 1it3 n ASP 487 Cb 0.24 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 1it3 n ASP 487 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1it3 n ASN 488 N -2.18 2.03 -0.05 -2.24 4.05 -0.13 -4.95 115.26 111.79 1it3 n ASN 488 Ca 0.05 -2.99 0.01 0.00 0.45 0.00 0.00 54.58 52.09 1it3 n ASN 488 Cb 0.43 -0.69 0.31 0.00 1.23 0.00 0.00 39.78 41.06 1it3 n ASN 488 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1it3 h GLN 489 N 5.21 0.63 -0.86 1.20 4.20 -1.72 -2.77 115.11 121.00 1it3 h GLN 489 Ca 0.18 -0.09 0.16 0.00 0.06 0.00 0.00 58.65 58.96 1it3 h GLN 489 Cb 0.79 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 1it3 h GLN 489 CO 0.63 0.54 0.56 0.93 -0.67 0.00 0.00 178.83 180.81 1it3 h GLU 490 N 0.63 0.55 -0.03 1.46 5.08 -1.92 -0.77 114.58 119.57 1it3 h GLU 490 Ca 0.15 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 1it3 h GLU 490 Cb 0.15 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1it3 h GLU 490 CO -0.01 0.36 -0.97 0.93 -1.00 0.00 0.00 179.01 178.32 1it3 h GLU 491 N 0.56 0.69 -0.86 2.33 4.39 -1.83 -2.20 114.58 117.66 1it3 h GLU 491 Ca 0.43 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1it3 h GLU 491 Cb 0.84 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1it3 h GLU 491 CO -0.18 1.28 0.55 0.82 -1.16 0.00 0.00 179.01 180.32 1it3 h ILE 492 N 0.41 1.23 -0.46 3.13 2.04 -1.26 -0.46 117.51 122.14 1it3 h ILE 492 Ca -0.11 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1it3 h ILE 492 Cb 1.62 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1it3 h ILE 492 CO 0.19 0.23 0.14 0.40 0.00 0.00 0.00 178.15 179.11 1it3 h ILE 493 N 1.17 1.22 0.61 -0.67 2.04 -1.19 -2.17 117.51 118.53 1it3 h ILE 493 Ca 0.31 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1it3 h ILE 493 Cb -0.10 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1it3 h ILE 493 CO -0.06 0.27 -0.29 0.50 0.00 0.00 0.00 178.15 178.56 1it3 h LYS 494 N 0.60 -0.78 -0.65 2.37 3.11 -0.78 -1.97 116.57 118.48 1it3 h LYS 494 Ca 0.15 0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.95 1it3 h LYS 494 Cb 0.27 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1it3 h LYS 494 CO -0.00 -0.49 0.07 0.66 -2.81 0.00 0.00 179.45 176.87 1it3 h SER 495 N -0.90 1.07 0.27 4.20 4.64 -1.16 -2.66 113.55 119.01 1it3 h SER 495 Ca -0.08 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 1it3 h SER 495 Cb 0.65 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1it3 h SER 495 CO 0.14 1.08 -0.49 -0.07 -0.87 0.00 0.00 176.83 176.62 1it3 h LEU 496 N 1.02 0.27 -1.15 5.97 3.38 -1.45 0.16 115.31 123.51 1it3 h LEU 496 Ca 0.19 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1it3 h LEU 496 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1it3 h LEU 496 CO 0.02 0.72 -0.41 0.11 0.09 0.00 0.00 178.44 178.97 1it3 h LYS 497 N 0.20 0.00 -0.01 1.13 1.57 -1.28 0.20 116.57 118.38 1it3 h LYS 497 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1it3 h LYS 497 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1it3 h LYS 497 CO 0.08 0.41 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.90 1it3 h ASP 498 N 0.00 0.04 0.26 0.86 3.32 -1.04 -2.96 116.42 116.90 1it3 h ASP 498 Ca -0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 1it3 h ASP 498 Cb 0.76 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1it3 h ASP 498 CO 0.05 0.68 -0.13 0.25 -1.72 0.00 0.00 179.24 178.38 1it3 h LEU 499 N -0.59 0.00 -0.61 1.55 5.85 -0.41 -2.26 115.31 118.84 1it3 h LEU 499 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1it3 h LEU 499 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1it3 h LEU 499 CO 0.01 0.13 -0.55 -1.28 -0.34 0.00 0.00 178.44 176.40 1it3 h SER 500 N 0.00 0.46 0.42 1.25 0.87 -0.58 -1.38 113.55 114.59 1it3 h SER 500 Ca -0.00 -0.24 -0.19 0.00 -1.23 0.00 0.00 61.79 60.13 1it3 h SER 500 Cb 0.29 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1it3 h SER 500 CO 0.02 0.92 -0.80 -0.61 -0.53 0.00 0.00 176.83 175.82 1it3 h GLN 501 N 0.31 0.29 -0.33 2.24 5.75 -1.26 -2.70 115.11 119.42 1it3 h GLN 501 Ca 0.00 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.16 1it3 h GLN 501 Cb 1.07 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1it3 h GLN 501 CO 0.10 0.95 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.92 1it3 h LYS 502 N 0.18 0.64 -0.87 1.69 3.64 -1.27 -2.24 116.57 118.34 1it3 h LYS 502 Ca -0.04 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1it3 h LYS 502 Cb 1.40 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.13 1it3 h LYS 502 CO 0.13 0.81 0.57 0.45 -2.27 0.00 0.00 179.45 179.15 1it3 h HIS 503 N 0.42 1.08 0.53 1.91 3.86 -1.23 -1.26 115.15 120.47 1it3 h HIS 503 Ca 0.08 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1it3 h HIS 503 Cb 0.58 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.69 1it3 h HIS 503 CO 0.05 0.66 -0.26 -0.22 0.86 0.00 0.00 177.93 179.03 1it3 h LYS 504 N 1.16 -0.69 0.06 2.45 3.64 -1.36 -1.07 116.57 120.76 1it3 h LYS 504 Ca 0.33 0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.50 1it3 h LYS 504 Cb -0.09 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1it3 h LYS 504 CO -0.08 -0.46 -1.35 1.79 -2.27 0.00 0.00 179.45 177.07 1it3 h THR 505 N -1.11 0.96 0.40 1.00 1.35 -1.50 -3.06 112.91 110.94 1it3 h THR 505 Ca -0.07 -2.29 -0.02 0.00 -0.55 0.00 0.00 66.41 63.48 1it3 h THR 505 Cb 0.55 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1it3 h THR 505 CO 0.12 0.56 -0.19 0.58 -0.25 0.00 0.00 175.52 176.34 1it3 h VAL 506 N -0.59 0.00 0.00 6.82 2.07 -1.59 -3.30 116.25 119.65 1it3 h VAL 506 Ca -0.32 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1it3 h VAL 506 Cb 1.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1it3 h VAL 506 CO -0.06 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.02 1it3 n PHE 507 N -4.50 0.26 -3.90 1.57 0.99 -0.52 -4.92 117.46 106.43 1it3 n PHE 507 Ca -0.07 0.09 -0.31 0.00 -0.00 0.00 0.00 57.45 57.16 1it3 n PHE 507 Cb 0.21 -0.65 0.00 0.00 -1.00 0.00 0.00 39.48 38.05 1it3 n PHE 507 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1it3 n LYS 508 N -1.73 -1.90 -4.72 -1.08 4.76 -0.95 -4.96 118.16 107.58 1it3 n LYS 508 Ca 0.04 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.50 1it3 n LYS 508 Cb 0.26 -4.00 -0.12 0.00 -1.84 0.00 0.00 35.03 29.33 1it3 n LYS 508 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1it3 s VAL 509 N -3.75 3.48 0.68 -0.18 0.11 -0.45 -5.02 120.40 115.27 1it3 s VAL 509 Ca 0.25 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.61 1it3 s VAL 509 Cb -0.10 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1it3 s VAL 509 CO 0.90 0.60 1.07 -0.62 -3.33 0.00 0.00 175.10 173.72 1it3 s ASP 510 N -0.78 5.28 0.17 3.54 3.68 -1.26 -4.42 116.67 122.88 1it3 s ASP 510 Ca 0.12 1.77 0.25 0.00 2.13 0.00 0.00 52.55 56.82 1it3 s ASP 510 Cb -0.11 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.76 1it3 s ASP 510 CO 0.01 -1.51 1.77 -1.54 0.13 0.00 0.00 175.17 174.03 1it3 n SER 511 N -2.79 0.58 0.27 -0.34 3.41 -1.26 -4.00 113.62 109.49 1it3 n SER 511 Ca 0.09 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.43 1it3 n SER 511 Cb 0.53 -0.72 0.65 0.00 -0.26 0.00 0.00 64.21 64.41 1it3 n SER 511 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1it3 h ILE 512 N 0.00 0.17 0.14 -1.33 1.08 -2.02 -3.36 117.51 112.19 1it3 h ILE 512 Ca 0.00 -0.65 -0.31 0.00 -0.39 0.00 0.00 64.86 63.52 1it3 h ILE 512 Cb 0.59 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1it3 h ILE 512 CO 0.00 0.06 -1.50 -0.50 -0.69 0.00 0.00 178.15 175.52 1it3 h TRP 513 N 0.00 0.54 -0.88 1.37 4.06 -1.99 -3.38 115.95 115.66 1it3 h TRP 513 Ca -0.00 -0.40 0.18 0.00 2.06 0.00 0.00 58.89 60.73 1it3 h TRP 513 Cb 0.54 -0.02 -0.17 0.00 -1.00 0.00 0.00 29.16 28.51 1it3 h TRP 513 CO 0.00 1.42 -0.20 0.74 -3.56 0.00 0.00 178.44 176.83 1it3 h PHE 514 N 0.08 -0.44 -0.93 0.49 -1.00 -1.84 0.07 116.94 113.37 1it3 h PHE 514 Ca -0.24 0.08 0.03 0.00 2.81 0.00 0.00 57.97 60.65 1it3 h PHE 514 Cb 2.03 0.33 -0.05 0.00 3.61 0.00 0.00 35.95 41.87 1it3 h PHE 514 CO 0.07 -0.38 0.60 -0.22 -1.61 0.00 0.00 178.31 176.78 1it3 h LYS 515 N 0.00 1.15 -0.17 1.51 3.64 -1.83 -2.45 116.57 118.42 1it3 h LYS 515 Ca 0.43 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1it3 h LYS 515 Cb 0.67 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1it3 h LYS 515 CO -0.90 0.76 -0.33 0.93 -2.27 0.00 0.00 179.45 177.64 1it3 h GLU 516 N 1.18 0.52 -0.90 1.90 4.39 -1.20 -2.32 114.58 118.16 1it3 h GLU 516 Ca 0.36 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.76 1it3 h GLU 516 Cb -0.03 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1it3 h GLU 516 CO -0.11 0.94 0.59 1.25 -1.16 0.00 0.00 179.01 180.52 1it3 h LEU 517 N 0.16 0.98 -0.10 1.33 6.46 -1.29 -2.22 115.31 120.62 1it3 h LEU 517 Ca 0.01 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1it3 h LEU 517 Cb 0.92 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1it3 h LEU 517 CO 0.07 0.68 -0.08 0.28 -0.62 0.00 0.00 178.44 178.77 1it3 h SER 518 N 1.14 0.25 -0.82 1.25 0.02 -1.44 -0.43 113.55 113.52 1it3 h SER 518 Ca 0.35 -0.46 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1it3 h SER 518 Cb -0.01 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1it3 h SER 518 CO -0.10 0.65 0.54 0.28 -1.14 0.00 0.00 176.83 177.06 1it3 h SER 519 N -0.15 0.81 0.74 3.07 0.02 -1.24 0.44 113.55 117.24 1it3 h SER 519 Ca 0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1it3 h SER 519 Cb 0.57 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1it3 h SER 519 CO 0.02 0.53 -0.74 0.40 -1.14 0.00 0.00 176.83 175.90 1it3 h ILE 520 N 0.93 1.53 0.47 3.27 2.04 -1.34 -2.03 117.51 122.37 1it3 h ILE 520 Ca 0.35 -2.53 -0.02 0.00 1.00 0.00 0.00 64.86 63.66 1it3 h ILE 520 Cb 0.19 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1it3 h ILE 520 CO -0.12 0.72 -0.22 0.15 0.00 0.00 0.00 178.15 178.68 1it3 h PHE 521 N 0.00 -0.58 -0.86 1.37 3.04 0.80 -1.62 116.94 119.09 1it3 h PHE 521 Ca -0.01 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.13 1it3 h PHE 521 Cb 1.31 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.95 1it3 h PHE 521 CO 0.00 -0.36 0.58 0.28 -2.02 0.00 0.00 178.31 176.78 1it3 h VAL 522 N -0.93 0.69 -0.04 1.41 2.07 -0.31 -1.43 116.25 117.71 1it3 h VAL 522 Ca -0.06 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1it3 h VAL 522 Cb 0.48 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1it3 h VAL 522 CO 0.11 0.06 -0.04 -1.28 0.02 0.00 0.00 177.57 176.44 1it3 h SER 523 N 0.34 0.09 -0.58 0.57 0.87 -1.35 0.50 113.55 114.00 1it3 h SER 523 Ca 0.44 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1it3 h SER 523 Cb 1.16 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1it3 h SER 523 CO -0.14 0.56 0.29 0.74 -0.53 0.00 0.00 176.83 177.75 1it3 h THR 524 N -0.37 1.20 -0.20 2.23 2.02 -0.25 -0.54 112.91 116.99 1it3 h THR 524 Ca 0.01 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1it3 h THR 524 Cb 0.53 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1it3 h THR 524 CO 0.01 0.24 0.00 2.30 0.37 0.00 0.00 175.52 178.44 1it3 n ILE 525 N -4.35 0.26 -3.60 3.11 -5.35 -0.88 -4.90 119.36 103.65 1it3 n ILE 525 Ca 0.05 -0.34 -0.26 0.00 -0.27 0.00 0.00 62.75 61.93 1it3 n ILE 525 Cb 0.13 0.26 0.04 0.00 -1.74 0.00 0.00 39.64 38.33 1it3 n ILE 525 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1it3 n ASP 526 N 0.26 -5.33 -3.53 7.28 2.03 -0.21 -4.97 116.55 112.08 1it3 n ASP 526 Ca 0.14 -0.58 -0.31 0.00 0.52 0.00 0.00 54.79 54.57 1it3 n ASP 526 Cb 0.28 -4.26 0.26 0.00 -0.72 0.00 0.00 41.12 36.68 1it3 n ASP 526 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1it3 s GLY 527 N -3.11 1.54 0.00 0.27 0.00 0.17 -5.01 107.32 101.18 1it3 s GLY 527 Ca 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1it3 s GLY 527 CO 0.68 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.32 1it3 n GLY 528 N -0.35 5.48 0.30 0.20 0.00 -1.26 -4.86 105.19 104.69 1it3 n GLY 528 Ca 0.15 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.87 1it3 n GLY 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it3 h ALA 529 N 1.00 1.24 -0.61 4.61 0.00 -1.99 -1.40 119.26 122.12 1it3 h ALA 529 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1it3 h ALA 529 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1it3 h ALA 529 CO 0.00 -0.19 0.36 0.93 0.00 0.00 0.00 179.25 180.35 1it3 h GLU 530 N 0.51 0.69 0.00 0.00 3.07 -1.96 -0.36 114.58 116.53 1it3 h GLU 530 Ca 0.47 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.18 1it3 h GLU 530 Cb 0.74 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1it3 h GLU 530 CO -0.42 0.46 -0.52 0.74 -1.40 0.00 0.00 179.01 177.87 1it3 h PHE 531 N 0.71 0.00 -0.30 4.33 -1.00 -1.73 0.12 116.94 119.06 1it3 h PHE 531 Ca 0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 1it3 h PHE 531 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1it3 h PHE 531 CO -0.06 0.52 -0.04 0.93 -1.61 0.00 0.00 178.31 178.05 1it3 h GLU 532 N 0.00 0.55 -0.06 1.51 5.08 -0.66 0.20 114.58 121.20 1it3 h GLU 532 Ca -0.01 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1it3 h GLU 532 Cb 1.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1it3 h GLU 532 CO 0.07 0.72 0.02 -0.22 -1.00 0.00 0.00 179.01 178.61 1it3 h LYS 533 N 0.33 0.09 -0.37 2.33 3.64 -0.86 0.30 116.57 122.04 1it3 h LYS 533 Ca 0.08 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1it3 h LYS 533 Cb 0.50 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1it3 h LYS 533 CO 0.02 0.23 -0.01 1.25 -2.27 0.00 0.00 179.45 178.68 1it3 h LEU 534 N -0.07 -0.17 -0.59 5.20 6.46 -0.67 -1.42 115.31 124.06 1it3 h LEU 534 Ca 0.02 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1it3 h LEU 534 Cb 0.18 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1it3 h LEU 534 CO -0.00 -0.05 0.00 -0.26 -0.62 0.00 0.00 178.44 177.51 1it3 h PHE 535 N 0.09 0.00 -0.25 1.25 -1.00 -0.34 -2.47 116.94 114.22 1it3 h PHE 535 Ca 0.18 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.82 1it3 h PHE 535 Cb 0.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 1it3 h PHE 535 CO -0.26 0.00 -0.40 0.77 -1.61 0.00 0.00 178.31 176.81 1it3 h SER 536 N 0.00 0.78 -0.14 2.17 0.02 0.66 -1.81 113.55 115.23 1it3 h SER 536 Ca 0.00 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1it3 h SER 536 Cb 0.60 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1it3 h SER 536 CO 0.00 1.15 0.08 0.40 -1.14 0.00 0.00 176.83 177.32 1it3 h ILE 537 N 0.43 1.09 -0.35 3.27 2.04 -1.15 0.27 117.51 123.10 1it3 h ILE 537 Ca 0.02 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1it3 h ILE 537 Cb 0.99 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1it3 h ILE 537 CO 0.09 0.08 0.15 0.40 0.00 0.00 0.00 178.15 178.87 1it3 h ILE 538 N 0.14 0.94 -0.11 -0.67 2.04 -1.41 0.11 117.51 118.54 1it3 h ILE 538 Ca 0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1it3 h ILE 538 Cb 0.06 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1it3 h ILE 538 CO -0.01 0.06 -0.09 0.00 0.00 0.00 0.00 178.15 178.11 1it3 h ILE 540 N -0.14 0.79 -0.66 0.00 2.04 -0.37 0.17 117.51 119.34 1it3 h ILE 540 Ca 0.02 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1it3 h ILE 540 Cb 0.58 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1it3 h ILE 540 CO 0.02 0.03 0.24 -0.07 0.00 0.00 0.00 178.15 178.37 1it3 h LEU 541 N 0.18 0.94 -1.02 1.44 4.07 -0.70 -2.03 115.31 118.20 1it3 h LEU 541 Ca 0.18 -0.19 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1it3 h LEU 541 Cb 0.22 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1it3 h LEU 541 CO -0.25 0.88 -0.29 -0.07 -1.08 0.00 0.00 178.44 177.63 1it3 h LEU 542 N 0.95 0.35 -0.86 1.67 3.38 0.72 -2.65 115.31 118.88 1it3 h LEU 542 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1it3 h LEU 542 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1it3 h LEU 542 CO -0.01 0.64 0.00 -1.14 0.09 0.00 0.00 178.44 178.01 1it3 n ARG 543 N -4.11 1.59 -0.32 1.13 0.63 0.52 -4.36 116.66 111.73 1it3 n ARG 543 Ca -0.01 -0.86 0.05 0.00 -0.92 0.00 0.00 57.85 56.11 1it3 n ARG 543 Cb 0.41 -1.47 0.24 0.00 0.45 0.00 0.00 32.46 32.09 1it3 n ARG 543 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1it3 h SER 544 N 2.05 0.91 0.56 6.15 4.64 -0.98 -2.43 113.55 124.45 1it3 h SER 544 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1it3 h SER 544 Cb 0.44 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1it3 h SER 544 CO 0.00 0.55 -0.15 0.00 -0.87 0.00 0.00 176.83 176.36 1it3 h ALA 545 N 1.52 1.17 0.00 5.18 0.00 -1.80 -3.52 119.26 121.82 1it3 h ALA 545 Ca 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1it3 h ALA 545 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1it3 h ALA 545 CO -0.19 0.19 0.00 0.66 0.00 0.00 0.00 179.25 179.91