#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8b s PRO 0 N 0.00 3.86 0.03 6.28 0.02 -1.26 -5.03 135.00 138.90 2a8b s PRO 0 Ca 0.00 0.73 0.03 0.00 0.02 0.00 0.00 61.00 61.78 2a8b s PRO 0 Cb 0.00 -3.83 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2a8b s PRO 0 CO 0.00 -1.12 -0.09 0.45 -0.33 0.00 0.00 177.00 175.91 2a8b s SER 375 N 2.05 1.03 -0.42 2.53 0.15 -1.26 -3.51 113.70 114.27 2a8b s SER 375 Ca 0.45 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2a8b s SER 375 Cb -0.10 -0.03 0.24 0.00 -1.71 0.00 0.00 66.02 64.42 2a8b s SER 375 CO 0.23 -0.08 1.01 -1.14 1.20 0.00 0.00 173.24 174.47 2a8b n ARG 376 N 1.92 0.41 -2.59 5.44 3.00 -1.26 -4.97 116.66 118.60 2a8b n ARG 376 Ca -0.19 -1.28 -0.42 0.00 -0.00 0.00 0.00 57.85 55.96 2a8b n ARG 376 Cb 0.55 -0.79 -0.03 0.00 0.00 0.00 0.00 32.46 32.19 2a8b n ARG 376 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2a8b s ILE 377 N 0.58 4.36 -0.14 5.15 -1.16 -1.26 -4.34 121.20 124.39 2a8b s ILE 377 Ca 0.28 1.80 0.01 0.00 -0.51 0.00 0.00 60.65 62.23 2a8b s ILE 377 Cb 0.17 -4.15 -0.01 0.00 0.61 0.00 0.00 42.46 39.08 2a8b s ILE 377 CO -0.14 0.20 -0.15 -0.76 -2.81 0.00 0.00 174.94 171.28 2a8b s LEU 378 N 0.57 2.53 1.06 8.50 1.43 0.11 -4.96 118.68 127.92 2a8b s LEU 378 Ca 0.53 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2a8b s LEU 378 Cb -0.26 -1.57 0.22 0.00 0.03 0.00 0.00 46.19 44.62 2a8b s LEU 378 CO 0.30 0.12 1.11 0.42 0.23 0.00 0.00 176.35 178.54 2a8b s THR 379 N 0.58 1.87 0.18 5.49 -4.23 -1.26 -0.69 115.64 117.58 2a8b s THR 379 Ca -0.09 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 2a8b s THR 379 Cb -0.16 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.23 2a8b s THR 379 CO 0.03 0.00 1.71 0.03 -0.54 0.00 0.00 174.62 175.85 2a8b h ARG 380 N -2.08 0.99 0.51 3.99 3.08 -1.96 0.30 114.38 119.21 2a8b h ARG 380 Ca -0.51 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.30 2a8b h ARG 380 Cb 1.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2a8b h ARG 380 CO 0.50 0.88 -0.25 0.77 -1.07 0.00 0.00 179.97 180.80 2a8b h SER 381 N 0.92 -0.58 -0.56 7.04 0.02 -1.93 -0.91 113.55 117.55 2a8b h SER 381 Ca 0.20 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.28 2a8b h SER 381 Cb 0.30 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 2a8b h SER 381 CO -0.01 -0.42 0.07 1.56 -1.14 0.00 0.00 176.83 176.90 2a8b h GLN 382 N -0.69 0.19 -0.60 3.45 4.20 -1.84 -0.42 115.11 119.40 2a8b h GLN 382 Ca -0.07 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.70 2a8b h GLN 382 Cb 0.53 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2a8b h GLN 382 CO 0.11 0.12 0.30 1.25 -0.67 0.00 0.00 178.83 179.95 2a8b h LEU 383 N 0.19 0.40 -1.50 1.46 5.85 -0.37 -2.11 115.31 119.24 2a8b h LEU 383 Ca 0.29 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 2a8b h LEU 383 Cb 0.43 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2a8b h LEU 383 CO -0.41 0.26 -0.22 0.03 -0.34 0.00 0.00 178.44 177.75 2a8b h ARG 384 N 0.55 0.00 0.22 1.25 3.08 0.34 -3.07 114.38 116.75 2a8b h ARG 384 Ca 0.28 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.01 2a8b h ARG 384 Cb 0.24 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.32 2a8b h ARG 384 CO -0.21 0.22 -1.38 -0.44 -1.07 0.00 0.00 179.97 177.09 2a8b h ASP 385 N 0.00 0.84 0.61 7.04 3.32 -0.82 -3.35 116.42 124.06 2a8b h ASP 385 Ca -0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 2a8b h ASP 385 Cb 0.55 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2a8b h ASP 385 CO 0.03 1.67 0.00 1.62 -1.72 0.00 0.00 179.24 180.84 2a8b h VAL 386 N 0.15 0.00 -0.51 -1.35 3.04 -1.29 -2.46 116.25 113.82 2a8b h VAL 386 Ca -0.23 -0.23 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2a8b h VAL 386 Cb 2.08 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 2a8b h VAL 386 CO 0.26 0.00 0.31 0.58 -1.01 0.00 0.00 177.57 177.71 2a8b h VAL 387 N 0.00 1.15 -1.08 1.51 2.07 -1.69 -2.46 116.25 115.75 2a8b h VAL 387 Ca 0.00 -0.35 -0.67 0.00 0.82 0.00 0.00 66.70 66.50 2a8b h VAL 387 Cb 0.30 0.46 -0.13 0.00 -1.52 0.00 0.00 31.29 30.40 2a8b h VAL 387 CO 0.00 0.16 1.91 0.00 0.02 0.00 0.00 177.57 179.65 2a8b n ALA 388 N -2.26 6.74 -2.71 1.67 0.00 -0.93 -4.30 120.51 118.72 2a8b n ALA 388 Ca 0.02 -3.78 -0.07 0.00 0.00 0.00 0.00 53.44 49.61 2a8b n ALA 388 Cb 0.05 -2.62 0.10 0.00 0.00 0.00 0.00 19.45 16.97 2a8b n ALA 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a8b n SER 389 N 1.57 -2.01 -0.28 0.00 2.88 -0.93 -5.01 113.62 109.84 2a8b n SER 389 Ca 0.59 -3.13 -0.06 0.00 -1.33 0.00 0.00 58.87 54.94 2a8b n SER 389 Cb 0.33 1.67 0.06 0.00 -0.75 0.00 0.00 64.21 65.52 2a8b n SER 389 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2a8b h SER 390 N 2.69 1.09 -0.49 -3.46 0.87 -1.75 -2.85 113.55 109.66 2a8b h SER 390 Ca -0.18 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.28 2a8b h SER 390 Cb 1.14 -0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 2a8b h SER 390 CO 0.08 0.99 0.03 1.12 -0.53 0.00 0.00 176.83 178.52 2a8b h HIS 391 N 1.13 0.02 -0.32 2.24 2.07 -1.94 -1.21 115.15 117.14 2a8b h HIS 391 Ca 0.25 0.03 -0.16 0.00 -2.85 0.00 0.00 60.37 57.65 2a8b h HIS 391 Cb 0.27 0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 2a8b h HIS 391 CO 0.02 -0.08 -0.44 1.25 -3.07 0.00 0.00 177.93 175.61 2a8b h LEU 392 N 0.15 0.87 -1.32 6.12 5.85 -1.94 -3.02 115.31 122.02 2a8b h LEU 392 Ca 0.25 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 2a8b h LEU 392 Cb 0.37 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2a8b h LEU 392 CO -0.39 1.18 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.67 2a8b h LEU 393 N 0.65 0.26 0.28 2.25 3.38 -1.20 -0.42 115.31 120.52 2a8b h LEU 393 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2a8b h LEU 393 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2a8b h LEU 393 CO 0.10 0.44 -0.13 -0.61 0.09 0.00 0.00 178.44 178.32 2a8b h GLN 394 N 0.26 -0.36 -0.03 1.13 -0.00 -1.12 0.57 115.11 115.56 2a8b h GLN 394 Ca 0.05 0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.64 2a8b h GLN 394 Cb 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 2a8b h GLN 394 CO 0.03 -0.13 -0.37 0.66 0.00 0.00 0.00 178.83 179.01 2a8b h SER 395 N -0.53 0.06 -0.03 -0.69 4.64 -1.45 0.55 113.55 116.10 2a8b h SER 395 Ca -0.04 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2a8b h SER 395 Cb 0.39 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2a8b h SER 395 CO 0.06 0.43 -0.00 -0.08 -0.87 0.00 0.00 176.83 176.38 2a8b h GLU 396 N 0.05 0.05 -0.47 4.77 4.81 -1.03 -2.50 114.58 120.26 2a8b h GLU 396 Ca 0.00 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2a8b h GLU 396 Cb 0.69 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 2a8b h GLU 396 CO 0.05 0.36 0.17 0.35 -0.73 0.00 0.00 179.01 179.21 2a8b h PHE 397 N -0.26 0.29 0.00 0.92 3.57 -0.62 -2.54 116.94 118.31 2a8b h PHE 397 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2a8b h PHE 397 Cb 0.34 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2a8b h PHE 397 CO 0.04 0.10 -0.04 1.98 -2.23 0.00 0.00 178.31 178.16 2a8b h MET 398 N 0.34 0.00 0.00 1.11 4.05 -0.85 -1.26 114.93 118.31 2a8b h MET 398 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2a8b h MET 398 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2a8b h MET 398 CO -0.23 0.04 0.00 0.39 0.23 0.00 0.00 176.91 177.34 2a8b n GLU 399 N -3.75 0.61 -3.50 0.39 4.71 -0.95 -4.75 120.64 113.40 2a8b n GLU 399 Ca -0.03 0.02 -0.39 0.00 -0.01 0.00 0.00 57.16 56.75 2a8b n GLU 399 Cb 0.13 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.96 2a8b n GLU 399 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2a8b s ILE 400 N -2.33 5.25 0.40 -3.67 1.01 -0.48 -5.07 121.20 116.31 2a8b s ILE 400 Ca 0.33 0.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.01 2a8b s ILE 400 Cb 0.19 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 2a8b s ILE 400 CO 0.38 0.18 1.21 -2.84 0.00 0.00 0.00 174.94 173.87 2a8b s PRO 401 N 1.89 4.01 0.39 2.79 0.02 -1.26 -4.94 135.00 137.90 2a8b s PRO 401 Ca 0.10 1.93 0.16 0.00 0.02 0.00 0.00 61.00 63.21 2a8b s PRO 401 Cb -0.16 -2.69 0.82 0.00 0.02 0.00 0.00 34.50 32.49 2a8b s PRO 401 CO 0.11 -0.38 1.84 0.52 -0.33 0.00 0.00 177.00 178.75 2a8b h MET 402 N 2.63 0.00 -2.23 5.54 2.86 -1.97 -3.47 114.93 118.29 2a8b h MET 402 Ca -0.49 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 56.78 2a8b h MET 402 Cb 1.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 2a8b h MET 402 CO 0.62 0.34 -0.45 -1.71 1.06 0.00 0.00 176.91 176.78 2a8b n ASN 403 N -3.89 -5.37 -4.77 1.22 5.15 -1.26 0.18 115.26 106.52 2a8b n ASN 403 Ca -0.01 0.10 -0.40 0.00 -0.60 0.00 0.00 54.58 53.66 2a8b n ASN 403 Cb 0.41 -4.45 0.02 0.00 -0.53 0.00 0.00 39.78 35.23 2a8b n ASN 403 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2a8b s PHE 404 N -2.87 2.45 0.33 1.20 2.99 -1.26 -4.04 117.98 116.77 2a8b s PHE 404 Ca 0.00 1.24 -0.27 0.00 0.00 0.00 0.00 56.93 57.91 2a8b s PHE 404 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 43.02 38.98 2a8b s PHE 404 CO 0.00 -3.00 1.03 0.08 -0.00 0.00 0.00 175.22 173.33 2a8b s VAL 405 N -1.19 3.80 0.03 -0.44 1.01 -1.26 -5.01 120.40 117.34 2a8b s VAL 405 Ca 0.60 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 2a8b s VAL 405 Cb -0.44 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2a8b s VAL 405 CO 0.57 0.19 1.35 -0.62 0.00 0.00 0.00 175.10 176.60 2a8b s ASP 406 N -1.34 6.90 0.37 3.32 -1.08 -1.26 -4.92 116.67 118.66 2a8b s ASP 406 Ca 0.50 2.12 0.20 0.00 -0.52 0.00 0.00 52.55 54.86 2a8b s ASP 406 Cb -0.25 -2.57 1.25 0.00 -1.46 0.00 0.00 42.92 39.90 2a8b s ASP 406 CO 0.31 -0.65 1.63 -0.65 0.52 0.00 0.00 175.17 176.32 2a8b h PRO 407 N 7.40 0.16 0.00 4.34 0.11 -1.94 0.89 132.00 142.96 2a8b h PRO 407 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2a8b h PRO 407 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2a8b h PRO 407 CO 0.88 0.10 0.00 0.36 -0.21 0.00 0.00 178.00 179.13 2a8b n LYS 408 N -5.04 0.18 -0.01 1.05 0.00 -1.26 -2.65 118.16 110.43 2a8b n LYS 408 Ca 0.35 0.45 -0.11 0.00 -0.00 0.00 0.00 58.31 59.00 2a8b n LYS 408 Cb 1.18 -1.87 0.03 0.00 -0.00 0.00 0.00 35.03 34.38 2a8b n LYS 408 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2a8b h GLU 409 N 0.00 0.61 -6.12 -1.58 4.81 -1.20 -3.41 114.58 107.69 2a8b h GLU 409 Ca 0.00 -0.39 -0.56 0.00 -0.13 0.00 0.00 59.36 58.27 2a8b h GLU 409 Cb 0.31 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2a8b h GLU 409 CO 0.00 1.01 0.42 0.42 -0.73 0.00 0.00 179.01 180.13 2a8b s ILE 410 N -3.99 4.86 -0.57 2.32 1.01 -1.08 -4.96 121.20 118.79 2a8b s ILE 410 Ca -0.08 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.44 2a8b s ILE 410 Cb 0.11 -4.21 0.35 0.00 0.01 0.00 0.00 42.46 38.71 2a8b s ILE 410 CO 0.85 0.06 0.96 0.47 0.00 0.00 0.00 174.94 177.28 2a8b n ASP 411 N 4.85 4.52 -3.74 3.58 8.00 -1.26 -4.93 116.55 127.57 2a8b n ASP 411 Ca 0.06 -3.69 -0.30 0.00 0.71 0.00 0.00 54.79 51.57 2a8b n ASP 411 Cb 0.49 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 2a8b n ASP 411 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2a8b s ILE 412 N -4.55 1.42 -0.08 0.53 1.01 -1.26 -5.03 121.20 113.23 2a8b s ILE 412 Ca 0.49 -2.42 -0.39 0.00 0.00 0.00 0.00 60.65 58.33 2a8b s ILE 412 Cb 0.29 -2.01 -0.17 0.00 0.01 0.00 0.00 42.46 40.58 2a8b s ILE 412 CO -0.14 -0.85 1.42 -2.65 0.00 0.00 0.00 174.94 172.72 2a8b n PRO 413 N 3.73 0.83 -1.21 2.79 -0.02 -1.26 -1.90 135.00 137.97 2a8b n PRO 413 Ca 0.07 0.30 -0.04 0.00 -2.02 0.00 0.00 63.50 61.81 2a8b n PRO 413 Cb 0.36 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 2a8b n PRO 413 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2a8b n ARG 414 N 3.23 -0.25 0.25 -0.52 1.74 -1.26 -4.73 116.66 115.12 2a8b n ARG 414 Ca 0.22 0.58 0.10 0.00 -0.77 0.00 0.00 57.85 57.98 2a8b n ARG 414 Cb 0.13 -4.23 0.66 0.00 -1.02 0.00 0.00 32.46 28.00 2a8b n ARG 414 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2a8b h HIS 415 N 0.00 0.00 -0.69 -1.55 2.07 -1.79 -2.60 115.15 110.58 2a8b h HIS 415 Ca -0.07 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.56 2a8b h HIS 415 Cb 0.32 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.25 2a8b h HIS 415 CO 0.10 0.14 0.46 0.78 -3.07 0.00 0.00 177.93 176.34 2a8b h GLY 416 N 0.72 0.72 2.00 6.13 0.00 -1.91 -0.90 103.07 109.82 2a8b h GLY 416 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2a8b h GLY 416 CO 0.02 0.10 -0.03 -0.91 0.00 0.00 0.00 176.54 175.72 2a8b h THR 417 N 0.48 0.81 -0.65 4.70 1.35 -1.88 -2.16 112.91 115.57 2a8b h THR 417 Ca 0.33 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 2a8b h THR 417 Cb 0.63 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2a8b h THR 417 CO -0.10 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.49 2a8b n LYS 418 N -4.19 3.26 -4.69 4.72 4.76 -0.35 -4.93 118.16 116.74 2a8b n LYS 418 Ca -0.03 -2.73 -0.33 0.00 -2.87 0.00 0.00 58.31 52.35 2a8b n LYS 418 Cb 0.12 -1.71 -0.13 0.00 -1.84 0.00 0.00 35.03 31.46 2a8b n LYS 418 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a8b s ASN 419 N -0.99 4.27 0.07 4.39 0.01 -0.81 -4.44 114.94 117.44 2a8b s ASN 419 Ca 0.48 -0.22 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 2a8b s ASN 419 Cb 0.28 -1.49 -0.28 0.00 0.41 0.00 0.00 41.25 40.17 2a8b s ASN 419 CO 0.27 0.22 1.12 -0.09 -1.51 0.00 0.00 177.10 177.11 2a8b h ARG 420 N 6.33 0.38 -5.00 -0.60 2.43 -1.89 -3.43 114.38 112.61 2a8b h ARG 420 Ca -0.33 -0.61 -0.63 0.00 -0.81 0.00 0.00 59.98 57.60 2a8b h ARG 420 Cb 1.19 0.22 -0.34 0.00 -0.42 0.00 0.00 29.97 30.62 2a8b h ARG 420 CO 0.56 1.28 -0.85 0.71 -1.51 0.00 0.00 179.97 180.16 2a8b s TYR 421 N -2.73 2.31 -0.29 2.20 1.51 -1.26 -5.03 117.35 114.06 2a8b s TYR 421 Ca -0.06 -1.10 0.28 0.00 -1.01 0.00 0.00 57.07 55.18 2a8b s TYR 421 Cb 0.06 -1.61 1.03 0.00 -0.11 0.00 0.00 41.96 41.34 2a8b s TYR 421 CO 0.90 -0.52 1.81 0.87 -1.11 0.00 0.00 175.55 177.51 2a8b h LYS 422 N 7.27 0.00 -0.01 -0.62 1.79 -1.94 -2.55 116.57 120.51 2a8b h LYS 422 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2a8b h LYS 422 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2a8b h LYS 422 CO 0.51 0.00 -0.31 0.25 -1.08 0.00 0.00 179.45 178.82 2a8b n THR 423 N -2.67 0.00 -3.21 -0.16 -2.24 -1.26 -4.77 114.28 99.97 2a8b n THR 423 Ca 0.02 -0.34 -0.45 0.00 -2.27 0.00 0.00 64.05 61.00 2a8b n THR 423 Cb 0.32 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 2a8b n THR 423 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2a8b s ILE 424 N -1.73 5.06 0.19 2.28 -1.09 -0.96 -4.84 121.20 120.10 2a8b s ILE 424 Ca 0.11 -1.40 0.11 0.00 -2.23 0.00 0.00 60.65 57.24 2a8b s ILE 424 Cb 0.11 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2a8b s ILE 424 CO 0.36 -1.04 -0.24 -0.76 -1.23 0.00 0.00 174.94 172.04 2a8b s LEU 425 N 1.96 2.42 -0.04 2.97 1.43 -1.26 -4.68 118.68 121.47 2a8b s LEU 425 Ca 0.10 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 2a8b s LEU 425 Cb -0.24 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2a8b s LEU 425 CO 0.02 0.12 1.13 -2.16 0.23 0.00 0.00 176.35 175.69 2a8b s PRO 426 N -2.61 4.40 0.04 1.29 0.04 -1.26 -4.61 135.00 132.29 2a8b s PRO 426 Ca 0.20 1.59 -0.33 0.00 0.04 0.00 0.00 61.00 62.50 2a8b s PRO 426 Cb -0.08 -3.51 -0.12 0.00 0.04 0.00 0.00 34.50 30.83 2a8b s PRO 426 CO 0.09 -0.34 1.79 0.09 0.04 0.00 0.00 177.00 178.67 2a8b n ASN 427 N 4.81 3.53 0.08 6.66 4.13 -1.26 -4.88 115.26 128.34 2a8b n ASN 427 Ca 0.10 1.00 0.09 0.00 1.68 0.00 0.00 54.58 57.45 2a8b n ASN 427 Cb 0.47 -1.44 0.56 0.00 -1.54 0.00 0.00 39.78 37.84 2a8b n ASN 427 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2a8b h PRO 428 N 8.19 0.22 0.00 3.52 0.11 -1.94 -2.21 132.00 139.89 2a8b h PRO 428 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a8b h PRO 428 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2a8b h PRO 428 CO 0.93 0.15 0.00 -0.07 -0.21 0.00 0.00 178.00 178.80 2a8b h LEU 429 N 0.23 0.00 -2.51 2.35 4.07 -1.96 -3.08 115.31 114.42 2a8b h LEU 429 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2a8b h LEU 429 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2a8b h LEU 429 CO -0.02 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.80 2a8b n SER 430 N -3.00 1.52 -4.78 -0.43 3.41 -1.06 -5.07 113.62 104.21 2a8b n SER 430 Ca 0.00 -1.75 -0.36 0.00 -0.26 0.00 0.00 58.87 56.50 2a8b n SER 430 Cb 0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2a8b n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a8b s ARG 431 N -0.75 3.90 -0.18 4.33 1.70 -0.86 -0.05 118.95 127.04 2a8b s ARG 431 Ca 0.00 1.55 -0.28 0.00 -0.47 0.00 0.00 55.73 56.54 2a8b s ARG 431 Cb 0.00 -2.35 -0.00 0.00 -0.57 0.00 0.00 34.95 32.03 2a8b s ARG 431 CO 0.00 -0.38 0.96 0.08 -1.08 0.00 0.00 175.30 174.88 2a8b s VAL 432 N -1.72 4.78 -0.33 4.99 1.01 -0.39 -4.77 120.40 123.97 2a8b s VAL 432 Ca 0.63 1.90 -0.10 0.00 0.00 0.00 0.00 61.98 64.41 2a8b s VAL 432 Cb -0.23 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2a8b s VAL 432 CO 0.28 -0.06 0.17 0.00 0.00 0.00 0.00 175.10 175.48 2a8b s LEU 434 N 1.60 3.82 -0.63 0.00 1.43 0.60 -4.97 118.68 120.52 2a8b s LEU 434 Ca 0.04 2.57 0.05 0.00 -1.03 0.00 0.00 54.13 55.76 2a8b s LEU 434 Cb -0.18 -4.37 0.28 0.00 0.03 0.00 0.00 46.19 41.95 2a8b s LEU 434 CO 0.06 -1.47 0.84 0.54 0.23 0.00 0.00 176.35 176.55 2a8b n ARG 435 N -1.11 2.83 -1.45 1.70 1.74 -1.26 -4.48 116.66 114.63 2a8b n ARG 435 Ca 0.11 -4.74 -0.30 0.00 -0.77 0.00 0.00 57.85 52.15 2a8b n ARG 435 Cb 0.47 -2.26 0.10 0.00 -1.02 0.00 0.00 32.46 29.75 2a8b n ARG 435 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2a8b s PRO 436 N -2.84 2.03 0.04 5.56 0.04 -1.26 -5.06 135.00 133.52 2a8b s PRO 436 Ca 0.43 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.27 2a8b s PRO 436 Cb 0.19 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2a8b s PRO 436 CO -0.05 -1.69 0.03 0.15 0.04 0.00 0.00 177.00 175.48 2a8b s LYS 437 N -5.06 2.78 -1.57 4.56 3.01 -1.26 -4.68 119.74 117.52 2a8b s LYS 437 Ca 0.61 -0.68 0.00 0.00 -1.01 0.00 0.00 55.97 54.89 2a8b s LYS 437 Cb -0.15 -2.67 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 2a8b s LYS 437 CO 0.55 0.59 0.00 0.09 0.51 0.00 0.00 175.35 177.09 2a8b n ASN 438 N 0.91 -4.91 -4.62 2.83 3.02 -1.26 -5.01 115.26 106.22 2a8b n ASN 438 Ca -0.12 0.20 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 2a8b n ASN 438 Cb 0.52 -3.93 -0.09 0.00 -0.61 0.00 0.00 39.78 35.68 2a8b n ASN 438 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2a8b s VAL 439 N -2.71 3.49 -0.32 2.41 -7.23 -1.26 -5.06 120.40 109.72 2a8b s VAL 439 Ca 0.00 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 2a8b s VAL 439 Cb 0.00 -2.72 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 2a8b s VAL 439 CO 0.00 -0.06 0.32 0.35 -0.31 0.00 0.00 175.10 175.41 2a8b n THR 440 N 0.13 0.00 -3.56 5.32 -2.24 -1.26 -5.05 114.28 107.62 2a8b n THR 440 Ca -0.11 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 2a8b n THR 440 Cb 0.54 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2a8b n THR 440 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2a8b s ASP 441 N -2.01 6.57 0.34 3.42 -4.77 -1.26 -5.00 116.67 113.95 2a8b s ASP 441 Ca 0.02 0.75 0.10 0.00 -3.30 0.00 0.00 52.55 50.12 2a8b s ASP 441 Cb 0.06 -2.16 0.61 0.00 -1.09 0.00 0.00 42.92 40.35 2a8b s ASP 441 CO 0.35 0.02 1.78 0.77 0.70 0.00 0.00 175.17 178.78 2a8b h SER 442 N 2.83 0.10 -0.27 2.11 4.64 -1.96 -2.88 113.55 118.13 2a8b h SER 442 Ca -0.47 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 2a8b h SER 442 Cb 1.17 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2a8b h SER 442 CO 0.70 0.48 0.19 0.25 -0.87 0.00 0.00 176.83 177.58 2a8b h LEU 443 N 0.09 0.15 -1.61 5.97 5.85 -1.92 -0.79 115.31 123.04 2a8b h LEU 443 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2a8b h LEU 443 Cb 0.71 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2a8b h LEU 443 CO 0.05 0.10 0.00 0.28 -0.34 0.00 0.00 178.44 178.53 2a8b h SER 444 N 0.17 0.00 0.00 1.25 0.02 -1.92 -1.88 113.55 111.20 2a8b h SER 444 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2a8b h SER 444 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2a8b h SER 444 CO -0.02 0.00 -0.22 0.35 -1.14 0.00 0.00 176.83 175.80 2a8b n THR 445 N -2.70 0.00 -3.20 -2.27 -2.24 -0.31 -4.63 114.28 98.93 2a8b n THR 445 Ca -0.00 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 2a8b n THR 445 Cb 0.18 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 2a8b n THR 445 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2a8b s TYR 446 N -2.25 3.55 -0.02 4.78 5.04 -0.71 -0.29 117.35 127.44 2a8b s TYR 446 Ca 0.25 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 55.90 2a8b s TYR 446 Cb 0.19 -2.66 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2a8b s TYR 446 CO 0.44 0.14 0.08 -1.50 -1.34 0.00 0.00 175.55 173.36 2a8b s ILE 447 N 0.67 0.01 -0.97 3.14 2.07 -1.26 -4.89 121.20 119.97 2a8b s ILE 447 Ca 0.31 -0.12 -0.24 0.00 -1.41 0.00 0.00 60.65 59.19 2a8b s ILE 447 Cb -0.16 -0.16 -0.00 0.00 0.13 0.00 0.00 42.46 42.27 2a8b s ILE 447 CO 0.14 -0.07 1.73 0.21 -1.91 0.00 0.00 174.94 175.04 2a8b s ASN 448 N -0.18 5.77 -0.28 4.50 3.84 -1.26 -4.58 114.94 122.75 2a8b s ASN 448 Ca -0.02 -1.08 -0.24 0.00 0.21 0.00 0.00 52.86 51.72 2a8b s ASN 448 Cb -0.02 -2.57 0.13 0.00 -0.55 0.00 0.00 41.25 38.24 2a8b s ASN 448 CO 0.00 -2.18 1.04 0.00 -2.79 0.00 0.00 177.10 173.17 2a8b s ALA 449 N 7.77 -2.02 0.04 1.71 0.00 -1.26 -2.82 121.76 125.18 2a8b s ALA 449 Ca 0.59 1.91 0.05 0.00 0.00 0.00 0.00 51.96 54.51 2a8b s ALA 449 Cb -0.03 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2a8b s ALA 449 CO -0.04 -0.24 -0.13 -0.80 0.00 0.00 0.00 175.76 174.54 2a8b s ASN 450 N 0.37 1.57 0.36 0.00 -0.87 -0.46 -1.26 114.94 114.65 2a8b s ASN 450 Ca 0.02 -0.46 -0.26 0.00 -1.57 0.00 0.00 52.86 50.58 2a8b s ASN 450 Cb -0.05 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.25 41.00 2a8b s ASN 450 CO -0.08 0.01 1.13 -0.31 -2.57 0.00 0.00 177.10 175.29 2a8b s TYR 451 N -0.88 3.26 -0.09 2.20 1.51 0.93 -1.55 117.35 122.72 2a8b s TYR 451 Ca 0.01 1.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.70 2a8b s TYR 451 Cb -0.08 -3.33 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 2a8b s TYR 451 CO 0.01 -0.99 -0.18 0.42 -1.11 0.00 0.00 175.55 173.70 2a8b s ILE 452 N -1.37 1.61 0.41 2.71 -1.09 0.13 -4.80 121.20 118.81 2a8b s ILE 452 Ca 0.53 -0.74 -0.24 0.00 -2.23 0.00 0.00 60.65 57.97 2a8b s ILE 452 Cb -0.30 -1.43 -0.09 0.00 -1.58 0.00 0.00 42.46 39.06 2a8b s ILE 452 CO 0.38 0.46 1.08 -0.13 -1.23 0.00 0.00 174.94 175.50 2a8b s ARG 453 N 0.63 4.07 0.00 2.79 0.52 -1.26 -1.81 118.95 123.89 2a8b s ARG 453 Ca -0.14 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 2a8b s ARG 453 Cb -0.16 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.80 2a8b s ARG 453 CO 0.04 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2a8b n GLY 454 N 0.35 1.53 3.73 -3.53 0.00 0.21 -4.82 105.19 102.67 2a8b n GLY 454 Ca 0.05 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2a8b n GLY 454 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a8b n TYR 455 N 0.00 2.62 -1.11 1.61 9.36 -1.26 -1.93 117.16 126.44 2a8b n TYR 455 Ca 0.00 0.49 -0.04 0.00 3.32 0.00 0.00 57.90 61.67 2a8b n TYR 455 Cb 0.00 -2.48 -0.02 0.00 -0.63 0.00 0.00 39.34 36.22 2a8b n TYR 455 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2a8b n SER 456 N 0.76 -5.00 0.00 2.98 7.64 -1.26 -2.28 113.62 116.46 2a8b n SER 456 Ca 0.04 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2a8b n SER 456 Cb 0.37 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.72 2a8b n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a8b n GLY 457 N -0.48 0.47 3.46 0.23 0.00 -0.81 -4.97 105.19 103.09 2a8b n GLY 457 Ca -0.04 -0.49 -0.52 0.00 0.00 0.00 0.00 46.02 44.97 2a8b n GLY 457 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a8b n LYS 458 N -2.96 1.05 -1.76 1.61 3.00 -0.96 -4.56 118.16 113.58 2a8b n LYS 458 Ca 0.00 0.30 -0.40 0.00 -0.00 0.00 0.00 58.31 58.22 2a8b n LYS 458 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 35.03 32.69 2a8b n LYS 458 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2a8b n GLU 459 N 7.83 2.19 -3.45 1.64 4.71 -1.26 0.66 120.64 132.96 2a8b n GLU 459 Ca 0.40 0.78 -0.25 0.00 -0.01 0.00 0.00 57.16 58.08 2a8b n GLU 459 Cb 0.20 -2.63 0.02 0.00 -1.01 0.00 0.00 31.44 28.02 2a8b n GLU 459 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2a8b n LYS 460 N -0.31 -4.71 -0.02 3.49 5.02 -1.24 -4.81 118.16 115.59 2a8b n LYS 460 Ca 0.06 0.65 -0.07 0.00 -2.02 0.00 0.00 58.31 56.93 2a8b n LYS 460 Cb 0.42 -5.48 0.11 0.00 -0.02 0.00 0.00 35.03 30.06 2a8b n LYS 460 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a8b h ALA 461 N 0.98 0.89 -2.29 7.82 0.00 -1.39 -3.24 119.26 122.03 2a8b h ALA 461 Ca -0.51 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 53.77 2a8b h ALA 461 Cb 1.34 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2a8b h ALA 461 CO 0.59 0.63 -0.67 -0.06 0.00 0.00 0.00 179.25 179.73 2a8b s PHE 462 N -4.34 0.91 -0.13 0.00 0.40 -0.75 -2.06 117.98 112.02 2a8b s PHE 462 Ca -0.08 -1.04 0.03 0.00 -0.60 0.00 0.00 56.93 55.24 2a8b s PHE 462 Cb 0.13 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.13 2a8b s PHE 462 CO 0.82 -0.28 -0.22 0.42 0.70 0.00 0.00 175.22 176.66 2a8b s ILE 463 N -3.77 2.16 -0.22 0.64 1.01 -0.02 0.23 121.20 121.23 2a8b s ILE 463 Ca 0.17 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2a8b s ILE 463 Cb 0.06 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2a8b s ILE 463 CO -0.02 0.55 0.21 0.00 0.00 0.00 0.00 174.94 175.67 2a8b s ALA 464 N 0.65 3.62 0.14 9.38 0.00 -0.60 -0.20 121.76 134.75 2a8b s ALA 464 Ca -0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2a8b s ALA 464 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2a8b s ALA 464 CO 0.02 -0.11 0.12 -0.08 0.00 0.00 0.00 175.76 175.71 2a8b s THR 465 N 0.90 0.09 0.71 0.00 -1.32 -0.82 -1.35 115.64 113.84 2a8b s THR 465 Ca 0.10 -1.78 -0.11 0.00 -1.21 0.00 0.00 61.69 58.69 2a8b s THR 465 Cb -0.13 -2.01 0.02 0.00 -1.51 0.00 0.00 72.50 68.87 2a8b s THR 465 CO 0.04 -0.41 1.09 0.00 -2.21 0.00 0.00 174.62 173.12 2a8b s GLN 466 N -4.03 2.80 0.14 7.08 -2.07 -1.13 -3.56 119.66 118.89 2a8b s GLN 466 Ca 0.23 0.56 -0.31 0.00 -1.82 0.00 0.00 55.36 54.02 2a8b s GLN 466 Cb 0.06 -2.01 -0.10 0.00 -1.09 0.00 0.00 33.01 29.88 2a8b s GLN 466 CO 0.02 -1.10 1.73 0.20 -1.32 0.00 0.00 175.29 174.82 2a8b s GLY 467 N -4.21 1.38 0.38 2.60 0.00 0.26 -4.82 107.32 102.91 2a8b s GLY 467 Ca 0.58 1.43 -0.26 0.00 0.00 0.00 0.00 44.72 46.47 2a8b s GLY 467 CO 0.53 2.96 1.14 -1.05 0.00 0.00 0.00 173.10 176.68 2a8b n PRO 468 N 4.99 1.68 -2.92 2.90 -0.02 -1.26 -4.80 135.00 135.57 2a8b n PRO 468 Ca 0.16 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 62.06 2a8b n PRO 468 Cb 0.38 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2a8b n PRO 468 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2a8b s MET 469 N -1.94 2.70 0.27 -0.52 -1.94 -1.26 -2.10 119.30 114.49 2a8b s MET 469 Ca 0.60 -1.18 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2a8b s MET 469 Cb -0.57 -2.68 0.47 0.00 2.01 0.00 0.00 34.83 34.05 2a8b s MET 469 CO 0.59 -0.44 1.83 0.97 -0.01 0.00 0.00 175.02 177.96 2a8b h ILE 470 N 0.45 0.94 -0.26 2.53 2.10 -1.97 -1.14 117.51 120.16 2a8b h ILE 470 Ca -0.39 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2a8b h ILE 470 Cb 1.28 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2a8b h ILE 470 CO 0.46 0.17 0.00 -0.46 -1.08 0.00 0.00 178.15 177.24 2a8b n ASN 471 N -4.65 1.62 -0.08 2.19 6.94 -1.26 -3.94 115.26 116.09 2a8b n ASN 471 Ca 0.16 -1.88 0.01 0.00 -0.02 0.00 0.00 54.58 52.85 2a8b n ASN 471 Cb 0.30 -0.17 0.01 0.00 -2.36 0.00 0.00 39.78 37.56 2a8b n ASN 471 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2a8b n THR 472 N 0.35 0.49 -0.11 5.53 -2.24 -0.46 -4.85 114.28 112.98 2a8b n THR 472 Ca 0.12 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 2a8b n THR 472 Cb 0.28 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 2a8b n THR 472 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2a8b h VAL 473 N 2.36 1.27 -0.69 2.28 2.07 -1.60 -0.66 116.25 121.29 2a8b h VAL 473 Ca 0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 2a8b h VAL 473 Cb 0.90 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2a8b h VAL 473 CO 0.00 0.35 0.13 0.44 0.02 0.00 0.00 177.57 178.51 2a8b h ASP 474 N 0.38 1.08 -0.45 0.57 3.32 -1.88 -2.12 116.42 117.32 2a8b h ASP 474 Ca 0.08 -0.25 0.07 0.00 0.02 0.00 0.00 57.03 56.95 2a8b h ASP 474 Cb 0.53 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 2a8b h ASP 474 CO 0.03 1.06 0.10 0.44 -1.72 0.00 0.00 179.24 179.14 2a8b h ASP 475 N 1.07 0.02 -0.06 6.45 3.32 -1.86 0.17 116.42 125.53 2a8b h ASP 475 Ca 0.21 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.37 2a8b h ASP 475 Cb 0.42 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2a8b h ASP 475 CO 0.01 0.05 -0.16 0.15 -1.72 0.00 0.00 179.24 177.56 2a8b h PHE 476 N 0.23 -0.42 -0.18 4.55 3.57 -0.74 -1.36 116.94 122.59 2a8b h PHE 476 Ca 0.22 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.60 2a8b h PHE 476 Cb 0.27 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2a8b h PHE 476 CO -0.21 -0.23 -0.46 -1.49 -2.23 0.00 0.00 178.31 173.69 2a8b h TRP 477 N -0.24 0.56 -0.77 0.41 4.06 -1.13 -0.75 115.95 118.09 2a8b h TRP 477 Ca 0.07 -0.17 0.14 0.00 2.06 0.00 0.00 58.89 60.98 2a8b h TRP 477 Cb 0.34 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.29 2a8b h TRP 477 CO -0.24 0.84 0.33 0.37 -3.56 0.00 0.00 178.44 176.18 2a8b h GLN 478 N 0.37 0.48 -0.11 0.49 5.75 -0.39 0.08 115.11 121.77 2a8b h GLN 478 Ca 0.02 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2a8b h GLN 478 Cb 0.96 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.39 2a8b h GLN 478 CO 0.08 0.32 0.04 1.98 -2.65 0.00 0.00 178.83 178.60 2a8b h MET 479 N 0.50 0.17 -0.10 1.69 4.05 -0.45 -0.66 114.93 120.12 2a8b h MET 479 Ca 0.42 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 2a8b h MET 479 Cb 0.60 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2a8b h MET 479 CO -0.38 0.31 0.07 0.28 0.23 0.00 0.00 176.91 177.42 2a8b h VAL 480 N 0.00 1.04 0.59 -5.77 2.07 -0.75 -1.57 116.25 111.85 2a8b h VAL 480 Ca 0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2a8b h VAL 480 Cb 0.21 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2a8b h VAL 480 CO -0.00 0.03 -0.49 -0.25 0.02 0.00 0.00 177.57 176.88 2a8b h TRP 481 N 0.13 -1.35 -0.04 1.57 2.91 -1.01 -1.90 115.95 116.26 2a8b h TRP 481 Ca 0.04 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 2a8b h TRP 481 Cb -0.00 0.51 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2a8b h TRP 481 CO -0.07 -0.68 -0.07 -0.56 -1.03 0.00 0.00 178.44 176.03 2a8b h GLN 482 N -1.06 0.06 0.00 2.65 3.07 -1.04 -1.80 115.11 116.99 2a8b h GLN 482 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2a8b h GLN 482 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2a8b h GLN 482 CO -0.01 0.13 -0.54 0.39 0.09 0.00 0.00 178.83 178.89 2a8b n GLU 483 N -4.42 0.09 -3.46 0.06 -0.58 -0.60 -4.97 120.64 106.75 2a8b n GLU 483 Ca -0.02 0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2a8b n GLU 483 Cb 0.17 -1.55 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 2a8b n GLU 483 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2a8b n ASP 484 N -1.67 -5.16 -4.72 1.62 2.03 -0.68 -3.53 116.55 104.44 2a8b n ASP 484 Ca 0.05 -0.51 -0.42 0.00 0.52 0.00 0.00 54.79 54.43 2a8b n ASP 484 Cb 0.37 -4.68 -0.03 0.00 -0.72 0.00 0.00 41.12 36.06 2a8b n ASP 484 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2a8b s SER 485 N -3.50 6.92 0.24 1.67 0.01 -0.95 -0.55 113.70 117.53 2a8b s SER 485 Ca 0.42 2.24 0.23 0.00 1.31 0.00 0.00 55.95 60.16 2a8b s SER 485 Cb -0.19 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.66 2a8b s SER 485 CO 0.67 -0.58 1.28 1.55 0.41 0.00 0.00 173.24 176.57 2a8b h PRO 486 N 6.58 0.00 -3.40 12.44 0.13 -1.75 -3.43 132.00 142.57 2a8b h PRO 486 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 2a8b h PRO 486 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2a8b h PRO 486 CO 0.83 0.00 -0.58 0.08 -0.23 0.00 0.00 178.00 178.11 2a8b s VAL 487 N -3.27 -0.01 -0.10 1.56 1.01 -1.26 0.01 120.40 118.34 2a8b s VAL 487 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2a8b s VAL 487 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 2a8b s VAL 487 CO 0.74 0.01 -0.17 -0.63 0.00 0.00 0.00 175.10 175.05 2a8b s ILE 488 N 0.27 2.69 -0.27 2.22 1.01 0.26 -1.32 121.20 126.07 2a8b s ILE 488 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2a8b s ILE 488 Cb -0.03 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.40 2a8b s ILE 488 CO -0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 174.74 2a8b s VAL 489 N 0.13 2.79 -0.35 2.92 1.01 0.14 -0.53 120.40 126.51 2a8b s VAL 489 Ca -0.09 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 2a8b s VAL 489 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2a8b s VAL 489 CO 0.05 0.07 0.18 -0.32 0.00 0.00 0.00 175.10 175.09 2a8b s MET 490 N 1.27 2.96 -0.76 2.72 0.00 -0.21 -0.68 119.30 124.59 2a8b s MET 490 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 55.69 54.71 2a8b s MET 490 Cb -0.18 -3.66 0.26 0.00 0.00 0.00 0.00 34.83 31.26 2a8b s MET 490 CO -0.04 -0.61 0.94 -0.89 0.00 0.00 0.00 175.02 174.42 2a8b n ILE 491 N 4.98 3.15 -3.64 10.11 5.41 0.28 -1.19 119.36 138.46 2a8b n ILE 491 Ca -0.12 -5.41 -0.05 0.00 1.00 0.00 0.00 62.75 58.16 2a8b n ILE 491 Cb 0.47 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 2a8b n ILE 491 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2a8b s THR 492 N -2.54 0.00 0.75 1.39 -1.32 -1.13 -4.46 115.64 108.32 2a8b s THR 492 Ca 0.37 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 2a8b s THR 492 Cb 0.12 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.15 2a8b s THR 492 CO 0.02 0.00 1.09 -0.54 -2.21 0.00 0.00 174.62 172.98 2a8b s LYS 493 N 0.14 2.42 0.15 7.08 1.02 -1.26 -4.78 119.74 124.51 2a8b s LYS 493 Ca 0.05 1.17 -0.13 0.00 0.02 0.00 0.00 55.97 57.08 2a8b s LYS 493 Cb -0.05 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2a8b s LYS 493 CO -0.12 -1.52 1.65 -0.07 -0.92 0.00 0.00 175.35 174.37 2a8b h LEU 494 N -0.92 0.77 -8.27 3.17 3.38 -1.96 -3.39 115.31 108.09 2a8b h LEU 494 Ca -0.44 -0.24 -0.64 0.00 0.09 0.00 0.00 57.88 56.65 2a8b h LEU 494 Cb 1.23 -0.20 -0.33 0.00 0.09 0.00 0.00 40.66 41.45 2a8b h LEU 494 CO 0.52 0.81 -0.86 -0.75 0.09 0.00 0.00 178.44 178.25 2a8b s LYS 495 N -5.26 2.63 -0.47 1.13 2.20 -1.26 -0.31 119.74 118.40 2a8b s LYS 495 Ca -0.13 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2a8b s LYS 495 Cb 0.11 -2.05 0.18 0.00 -1.51 0.00 0.00 37.83 34.56 2a8b s LYS 495 CO 0.80 0.17 0.39 0.39 -0.36 0.00 0.00 175.35 176.74 2a8b n GLU 496 N 3.50 0.57 0.00 4.03 1.02 -1.26 -4.93 120.64 123.57 2a8b n GLU 496 Ca -0.20 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 2a8b n GLU 496 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2a8b n GLU 496 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2a8b n LYS 497 N 2.55 0.00 -2.36 3.49 4.01 -1.26 -4.80 118.16 119.79 2a8b n LYS 497 Ca 0.28 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.80 2a8b n LYS 497 Cb 0.46 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 35.00 2a8b n LYS 497 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a8b s ASN 498 N 0.00 5.92 0.01 4.39 0.01 -1.26 -5.05 114.94 118.96 2a8b s ASN 498 Ca 0.00 0.94 -0.30 0.00 -0.71 0.00 0.00 52.86 52.78 2a8b s ASN 498 Cb 0.00 -2.04 -0.06 0.00 0.41 0.00 0.00 41.25 39.56 2a8b s ASN 498 CO 0.00 -0.88 1.38 -0.70 -1.51 0.00 0.00 177.10 175.39 2a8b s GLU 499 N -4.96 4.30 -0.09 -0.60 2.12 -1.26 -4.36 118.70 113.84 2a8b s GLU 499 Ca 0.52 1.96 0.08 0.00 0.36 0.00 0.00 54.97 57.89 2a8b s GLU 499 Cb -0.11 -3.52 -0.11 0.00 0.26 0.00 0.00 34.13 30.65 2a8b s GLU 499 CO 0.47 -0.54 0.02 1.63 -0.54 0.00 0.00 175.26 176.31 2a8b n LYS 500 N 5.13 2.40 -3.49 4.30 4.76 0.58 -4.93 118.16 126.91 2a8b n LYS 500 Ca 0.13 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 2a8b n LYS 500 Cb 0.44 -1.23 -0.04 0.00 -1.84 0.00 0.00 35.03 32.35 2a8b n LYS 500 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a8b s VAL 502 N -2.22 5.20 -0.49 0.00 0.11 -0.89 -4.58 120.40 117.53 2a8b s VAL 502 Ca -0.04 -0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.45 2a8b s VAL 502 Cb -0.00 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 2a8b s VAL 502 CO -0.00 -0.12 1.73 -0.22 -3.33 0.00 0.00 175.10 173.15 2a8b s LEU 503 N -3.17 3.40 0.00 2.54 2.96 -1.26 -4.81 118.68 118.34 2a8b s LEU 503 Ca 0.39 0.68 0.13 0.00 -0.22 0.00 0.00 54.13 55.11 2a8b s LEU 503 Cb -0.11 -3.02 0.11 0.00 0.50 0.00 0.00 46.19 43.67 2a8b s LEU 503 CO 0.28 -1.97 0.93 0.00 -1.32 0.00 0.00 176.35 174.27 2a8b n TYR 504 N 11.09 0.01 -4.40 5.38 0.18 -1.26 -4.97 117.16 123.20 2a8b n TYR 504 Ca 0.20 -0.01 -0.25 0.00 1.88 0.00 0.00 57.90 59.71 2a8b n TYR 504 Cb 0.50 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.34 2a8b n TYR 504 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2a8b s TRP 505 N -1.10 2.15 0.54 -3.48 -2.14 -1.26 -5.03 118.94 108.62 2a8b s TRP 505 Ca 0.16 -0.39 -0.01 0.00 2.66 0.00 0.00 56.10 58.51 2a8b s TRP 505 Cb 0.11 -1.07 0.02 0.00 -3.10 0.00 0.00 33.47 29.43 2a8b s TRP 505 CO 0.17 0.45 0.79 -1.25 -2.66 0.00 0.00 176.95 174.44 2a8b s PRO 506 N -2.70 2.78 -0.01 3.25 0.04 -1.26 -5.03 135.00 132.06 2a8b s PRO 506 Ca 0.19 -0.46 -0.24 0.00 0.04 0.00 0.00 61.00 60.54 2a8b s PRO 506 Cb -0.07 -2.44 -0.19 0.00 0.04 0.00 0.00 34.50 31.84 2a8b s PRO 506 CO 0.09 -0.60 1.22 0.93 0.04 0.00 0.00 177.00 178.68 2a8b h GLU 507 N 0.07 0.15 0.00 4.56 3.07 -2.00 -3.44 114.58 116.99 2a8b h GLU 507 Ca -0.45 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.28 2a8b h GLU 507 Cb 1.27 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 2a8b h GLU 507 CO 0.57 0.68 -0.60 1.63 -1.40 0.00 0.00 179.01 179.89 2a8b n LYS 508 N -4.67 0.12 -3.69 2.33 4.01 -1.26 -4.68 118.16 110.32 2a8b n LYS 508 Ca -0.08 0.05 -0.14 0.00 -0.51 0.00 0.00 58.31 57.63 2a8b n LYS 508 Cb 0.35 -0.70 -0.08 0.00 -0.51 0.00 0.00 35.03 34.08 2a8b n LYS 508 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2a8b s ARG 509 N -2.17 0.71 0.05 1.97 3.52 -1.26 0.12 118.95 121.90 2a8b s ARG 509 Ca -0.07 0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 55.61 2a8b s ARG 509 Cb 0.02 0.33 0.04 0.00 -1.56 0.00 0.00 34.95 33.78 2a8b s ARG 509 CO 0.10 -0.17 0.43 0.20 -0.81 0.00 0.00 175.30 175.05 2a8b s GLY 510 N -0.63 -0.30 -0.18 8.12 0.00 -0.32 -4.82 107.32 109.19 2a8b s GLY 510 Ca -0.07 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.97 2a8b s GLY 510 CO 0.04 0.07 -0.14 -0.42 0.00 0.00 0.00 173.10 172.64 2a8b s ILE 511 N -2.58 2.59 -0.41 0.90 1.01 -1.26 -0.58 121.20 120.86 2a8b s ILE 511 Ca -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2a8b s ILE 511 Cb -0.01 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.46 2a8b s ILE 511 CO -0.03 0.50 0.15 -0.31 0.00 0.00 0.00 174.94 175.25 2a8b s TYR 512 N 1.19 3.08 0.00 3.97 1.51 0.16 -4.99 117.35 122.26 2a8b s TYR 512 Ca 0.02 -2.83 0.00 0.00 -1.01 0.00 0.00 57.07 53.24 2a8b s TYR 512 Cb -0.14 -2.61 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 2a8b s TYR 512 CO -0.06 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 173.94 2a8b n GLY 513 N 3.84 3.54 0.32 0.71 0.00 -1.26 -1.72 105.19 110.61 2a8b n GLY 513 Ca 0.04 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2a8b n GLY 513 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a8b n LYS 514 N 13.69 1.17 -4.18 1.61 5.02 -1.26 -4.84 118.16 129.37 2a8b n LYS 514 Ca 0.00 -0.63 -0.34 0.00 -2.02 0.00 0.00 58.31 55.31 2a8b n LYS 514 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 2a8b n LYS 514 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a8b s VAL 515 N -2.27 4.29 -0.25 -0.18 1.01 -0.70 -4.61 120.40 117.68 2a8b s VAL 515 Ca 0.32 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2a8b s VAL 515 Cb 0.20 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 2a8b s VAL 515 CO 0.43 0.47 0.18 -0.70 0.00 0.00 0.00 175.10 175.48 2a8b s GLU 516 N 0.49 4.03 -0.13 2.72 2.12 -0.35 0.38 118.70 127.95 2a8b s GLU 516 Ca -0.00 -0.27 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 2a8b s GLU 516 Cb -0.14 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2a8b s GLU 516 CO 0.02 -0.04 -0.02 0.54 -0.54 0.00 0.00 175.26 175.22 2a8b s VAL 517 N 1.35 4.09 -0.10 3.70 0.11 0.25 -0.45 120.40 129.35 2a8b s VAL 517 Ca 0.08 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 2a8b s VAL 517 Cb -0.15 -2.77 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2a8b s VAL 517 CO 0.07 0.52 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.40 2a8b s LEU 518 N -0.03 2.31 -0.39 2.54 2.01 0.28 -1.18 118.68 124.23 2a8b s LEU 518 Ca 0.02 -0.46 -0.22 0.00 0.01 0.00 0.00 54.13 53.48 2a8b s LEU 518 Cb -0.13 -1.47 0.01 0.00 0.01 0.00 0.00 46.19 44.61 2a8b s LEU 518 CO 0.02 0.18 0.74 -0.69 1.01 0.00 0.00 176.35 177.61 2a8b s VAL 519 N 0.22 4.76 -0.04 -1.59 1.01 0.12 -0.97 120.40 123.91 2a8b s VAL 519 Ca -0.13 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2a8b s VAL 519 Cb -0.16 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 31.70 2a8b s VAL 519 CO 0.07 -0.49 0.70 0.40 0.00 0.00 0.00 175.10 175.78 2a8b h ILE 520 N 5.80 0.97 -3.07 2.22 1.08 -0.78 -3.47 117.51 120.26 2a8b h ILE 520 Ca -0.25 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 61.69 2a8b h ILE 520 Cb 1.10 2.79 -0.10 0.00 -3.07 0.00 0.00 36.82 37.54 2a8b h ILE 520 CO 0.90 0.86 0.17 -0.94 -0.69 0.00 0.00 178.15 178.45 2a8b s SER 521 N -7.33 -0.43 -0.03 1.72 1.04 -1.09 -4.99 113.70 102.58 2a8b s SER 521 Ca -0.15 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.09 2a8b s SER 521 Cb 0.05 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2a8b s SER 521 CO 0.86 -1.07 -0.21 -0.69 0.98 0.00 0.00 173.24 173.12 2a8b s VAL 522 N -3.81 1.66 -0.10 5.02 1.01 -1.26 -0.52 120.40 122.40 2a8b s VAL 522 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2a8b s VAL 522 Cb -0.02 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2a8b s VAL 522 CO -0.06 0.47 -0.15 0.20 0.00 0.00 0.00 175.10 175.55 2a8b s ASN 523 N -0.33 2.31 -0.16 3.32 -0.87 0.13 -4.98 114.94 114.37 2a8b s ASN 523 Ca 0.04 -0.40 -0.15 0.00 -1.57 0.00 0.00 52.86 50.77 2a8b s ASN 523 Cb -0.10 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.25 40.05 2a8b s ASN 523 CO 0.00 0.03 0.36 -0.70 -2.57 0.00 0.00 177.10 174.22 2a8b s GLU 524 N 0.85 4.27 0.43 -0.60 2.56 -1.26 0.66 118.70 125.61 2a8b s GLU 524 Ca -0.10 0.20 0.06 0.00 0.00 0.00 0.00 54.97 55.14 2a8b s GLU 524 Cb -0.15 -3.44 -0.05 0.00 2.00 0.00 0.00 34.13 32.48 2a8b s GLU 524 CO 0.01 0.18 0.11 0.00 -0.56 0.00 0.00 175.26 174.99 2a8b h ASP 526 N 1.51 0.04 -0.05 0.00 3.32 -2.03 -3.26 116.42 115.96 2a8b h ASP 526 Ca -0.43 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2a8b h ASP 526 Cb 1.26 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2a8b h ASP 526 CO 0.74 0.04 0.00 0.59 -1.72 0.00 0.00 179.24 178.89 2a8b n ASN 527 N -5.10 1.69 -3.60 6.45 3.02 -1.26 -5.03 115.26 111.43 2a8b n ASN 527 Ca 0.07 -1.43 -0.06 0.00 -0.03 0.00 0.00 54.58 53.13 2a8b n ASN 527 Cb 0.27 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 2a8b n ASN 527 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2a8b s TYR 528 N -0.57 -0.26 0.07 3.10 1.13 -1.23 -4.44 117.35 115.16 2a8b s TYR 528 Ca 0.07 0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.87 2a8b s TYR 528 Cb 0.04 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 2a8b s TYR 528 CO 0.06 -0.63 -0.17 0.95 -2.51 0.00 0.00 175.55 173.25 2a8b s THR 529 N -3.14 2.88 -0.11 -3.49 -4.23 -1.01 -0.29 115.64 106.24 2a8b s THR 529 Ca 0.08 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2a8b s THR 529 Cb -0.01 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2a8b s THR 529 CO -0.05 0.24 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.46 2a8b s ILE 530 N -1.03 2.65 -0.18 2.99 1.09 0.21 -1.20 121.20 125.73 2a8b s ILE 530 Ca 0.16 -0.82 -0.12 0.00 -1.10 0.00 0.00 60.65 58.78 2a8b s ILE 530 Cb -0.11 -2.06 -0.05 0.00 -1.06 0.00 0.00 42.46 39.18 2a8b s ILE 530 CO 0.08 0.55 0.21 -0.13 -0.10 0.00 0.00 174.94 175.54 2a8b s ARG 531 N 0.19 4.19 -0.45 2.79 0.52 -0.03 0.17 118.95 126.34 2a8b s ARG 531 Ca -0.11 -0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 54.86 2a8b s ARG 531 Cb -0.16 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 31.94 2a8b s ARG 531 CO 0.06 0.29 0.48 -0.80 0.02 0.00 0.00 175.30 175.35 2a8b s ASN 532 N 0.35 6.20 0.12 0.23 0.01 0.33 -0.89 114.94 121.29 2a8b s ASN 532 Ca 0.12 -0.82 0.03 0.00 -0.71 0.00 0.00 52.86 51.48 2a8b s ASN 532 Cb -0.12 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 2a8b s ASN 532 CO 0.01 -0.66 0.19 -0.76 -1.51 0.00 0.00 177.10 174.37 2a8b s LEU 533 N 2.18 4.12 0.01 0.60 1.43 0.51 -0.06 118.68 127.47 2a8b s LEU 533 Ca 0.12 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 2a8b s LEU 533 Cb -0.19 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2a8b s LEU 533 CO 0.12 0.11 -0.26 0.68 0.23 0.00 0.00 176.35 177.23 2a8b s VAL 534 N -1.63 2.11 -0.12 -1.59 -7.23 -0.14 -0.99 120.40 110.81 2a8b s VAL 534 Ca 0.33 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 2a8b s VAL 534 Cb -0.11 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2a8b s VAL 534 CO 0.26 0.48 0.12 -0.76 -0.31 0.00 0.00 175.10 174.89 2a8b s LEU 535 N -0.90 4.24 -0.01 1.32 1.02 0.12 -0.55 118.68 123.92 2a8b s LEU 535 Ca 0.11 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.68 2a8b s LEU 535 Cb -0.10 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.08 2a8b s LEU 535 CO 0.00 0.39 -0.06 -0.54 0.02 0.00 0.00 176.35 176.16 2a8b s LYS 536 N -0.92 0.56 -0.10 1.70 1.02 0.41 -0.98 119.74 121.43 2a8b s LYS 536 Ca 0.14 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 2a8b s LYS 536 Cb -0.12 -0.54 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 2a8b s LYS 536 CO 0.03 0.13 0.08 -0.65 -0.92 0.00 0.00 175.35 174.02 2a8b s GLN 537 N -0.08 -0.01 7.67 1.68 -0.21 -0.89 -1.21 119.66 126.61 2a8b s GLN 537 Ca 0.02 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2a8b s GLN 537 Cb -0.03 -1.08 0.00 0.00 1.00 0.00 0.00 33.01 32.89 2a8b s GLN 537 CO -0.00 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.10 2a8b n GLY 538 N 5.29 4.03 0.03 3.09 0.00 -1.26 -1.24 105.19 115.13 2a8b n GLY 538 Ca -0.05 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2a8b n GLY 538 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a8b n SER 539 N 7.20 0.32 -4.83 1.61 7.64 -1.26 -4.91 113.62 119.39 2a8b n SER 539 Ca 0.00 0.36 -0.37 0.00 1.01 0.00 0.00 58.87 59.87 2a8b n SER 539 Cb 0.00 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 2a8b n SER 539 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2a8b s HIS 540 N -3.04 3.62 0.01 1.43 4.02 -0.37 -5.08 115.29 115.88 2a8b s HIS 540 Ca 0.12 0.74 0.06 0.00 1.02 0.00 0.00 55.06 57.00 2a8b s HIS 540 Cb 0.17 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.58 29.53 2a8b s HIS 540 CO 0.59 0.58 -0.17 0.99 1.02 0.00 0.00 174.74 177.75 2a8b s THR 541 N -0.70 1.33 -0.02 1.30 2.01 -1.26 -2.10 115.64 116.20 2a8b s THR 541 Ca 0.19 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 2a8b s THR 541 Cb -0.14 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.25 2a8b s THR 541 CO 0.08 0.24 0.04 -1.10 -0.69 0.00 0.00 174.62 173.18 2a8b s GLN 542 N -0.76 -0.05 0.06 4.92 -0.21 -0.15 -4.98 119.66 118.50 2a8b s GLN 542 Ca 0.05 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 2a8b s GLN 542 Cb -0.07 -0.30 -0.06 0.00 1.00 0.00 0.00 33.01 33.57 2a8b s GLN 542 CO 0.00 -0.20 0.75 -1.01 -2.12 0.00 0.00 175.29 172.71 2a8b s HIS 543 N 1.31 3.76 -0.06 0.91 3.76 -1.26 0.14 115.29 123.85 2a8b s HIS 543 Ca -0.06 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2a8b s HIS 543 Cb -0.13 -2.79 0.02 0.00 1.11 0.00 0.00 32.58 30.79 2a8b s HIS 543 CO -0.03 0.32 -0.05 0.08 -0.85 0.00 0.00 174.74 174.22 2a8b s VAL 544 N -0.26 0.64 -0.24 -0.90 1.01 -0.16 -4.49 120.40 116.00 2a8b s VAL 544 Ca 0.37 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 2a8b s VAL 544 Cb -0.21 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2a8b s VAL 544 CO 0.23 0.27 0.50 -0.75 0.00 0.00 0.00 175.10 175.35 2a8b s LYS 545 N 1.25 4.11 -0.26 2.72 2.20 0.10 -0.36 119.74 129.50 2a8b s LYS 545 Ca -0.05 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.84 2a8b s LYS 545 Cb -0.14 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2a8b s LYS 545 CO -0.02 -0.26 -0.00 -1.58 -0.36 0.00 0.00 175.35 173.13 2a8b s HIS 546 N 2.01 3.09 -0.17 4.03 5.65 -0.07 0.89 115.29 130.72 2a8b s HIS 546 Ca 0.21 -1.26 -0.08 0.00 0.25 0.00 0.00 55.06 54.18 2a8b s HIS 546 Cb -0.15 -2.14 -0.04 0.00 -1.18 0.00 0.00 32.58 29.06 2a8b s HIS 546 CO 0.09 -0.65 0.12 0.71 -0.65 0.00 0.00 174.74 174.36 2a8b s TYR 547 N 1.41 3.43 -0.28 3.88 1.51 0.31 -0.85 117.35 126.77 2a8b s TYR 547 Ca 0.02 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 2a8b s TYR 547 Cb -0.17 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.69 2a8b s TYR 547 CO -0.02 0.41 -0.04 -0.46 -1.11 0.00 0.00 175.55 174.34 2a8b s TRP 548 N -0.12 3.10 -0.38 2.71 -0.00 -0.34 -1.04 118.94 122.86 2a8b s TRP 548 Ca 0.10 -2.34 -0.12 0.00 -0.00 0.00 0.00 56.10 53.74 2a8b s TRP 548 Cb -0.12 -2.11 0.03 0.00 -0.00 0.00 0.00 33.47 31.27 2a8b s TRP 548 CO 0.00 -0.87 0.22 -0.47 -0.00 0.00 0.00 176.95 175.83 2a8b s TYR 549 N 1.15 3.24 -1.05 5.86 5.04 -0.33 -2.41 117.35 128.85 2a8b s TYR 549 Ca -0.01 -0.92 0.14 0.00 -2.44 0.00 0.00 57.07 53.83 2a8b s TYR 549 Cb -0.19 -2.46 -0.06 0.00 0.35 0.00 0.00 41.96 39.60 2a8b s TYR 549 CO -0.07 -0.64 0.70 0.25 -1.34 0.00 0.00 175.55 174.45 2a8b n THR 550 N 5.02 0.00 1.40 4.34 -2.24 -1.26 -2.85 114.28 118.69 2a8b n THR 550 Ca -0.12 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2a8b n THR 550 Cb 0.46 1.11 0.44 0.00 -2.10 0.00 0.00 70.33 70.24 2a8b n THR 550 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2a8b n SER 551 N -0.59 1.68 -4.67 3.42 3.41 -1.26 -4.52 113.62 111.09 2a8b n SER 551 Ca 0.05 -1.52 -0.42 0.00 -0.26 0.00 0.00 58.87 56.72 2a8b n SER 551 Cb 0.26 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2a8b n SER 551 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2a8b s TRP 552 N -2.05 2.05 0.79 7.33 -0.11 -1.26 -4.95 118.94 120.73 2a8b s TRP 552 Ca 0.35 0.15 -0.14 0.00 1.22 0.00 0.00 56.10 57.68 2a8b s TRP 552 Cb 0.21 -3.98 0.06 0.00 -1.50 0.00 0.00 33.47 28.25 2a8b s TRP 552 CO 0.35 -4.10 1.11 -2.30 -4.62 0.00 0.00 176.95 167.39 2a8b n PRO 553 N 6.59 0.28 -0.15 5.86 -0.02 -1.25 -4.90 135.00 141.41 2a8b n PRO 553 Ca 0.17 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.76 2a8b n PRO 553 Cb 0.42 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2a8b n PRO 553 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2a8b h ASP 554 N -0.71 -0.95 0.00 2.55 3.32 -1.96 -3.34 116.42 115.32 2a8b h ASP 554 Ca -0.47 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2a8b h ASP 554 Cb 1.31 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.34 2a8b h ASP 554 CO 0.46 -0.29 0.00 1.41 -1.72 0.00 0.00 179.24 179.10 2a8b n HIS 555 N -5.42 0.00 -3.95 4.55 8.25 -1.26 -5.05 115.22 112.34 2a8b n HIS 555 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 2a8b n HIS 555 Cb 0.33 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 2a8b n HIS 555 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2a8b s LYS 556 N -0.28 3.36 0.65 -0.41 3.01 -1.25 -5.08 119.74 119.73 2a8b s LYS 556 Ca 0.00 -0.56 -0.14 0.00 -1.01 0.00 0.00 55.97 54.26 2a8b s LYS 556 Cb 0.00 -2.96 -0.01 0.00 -1.01 0.00 0.00 37.83 33.85 2a8b s LYS 556 CO 0.00 0.56 1.06 0.95 0.51 0.00 0.00 175.35 178.43 2a8b s THR 557 N -1.63 3.81 0.65 2.17 -4.23 -1.26 -3.84 115.64 111.32 2a8b s THR 557 Ca 0.34 0.74 -0.18 0.00 -1.18 0.00 0.00 61.69 61.41 2a8b s THR 557 Cb -0.12 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 2a8b s THR 557 CO 0.27 -0.62 1.22 -2.65 -0.54 0.00 0.00 174.62 172.30 2a8b n PRO 558 N -2.56 0.99 0.20 3.99 -0.02 -1.26 -4.80 135.00 131.54 2a8b n PRO 558 Ca 0.08 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2a8b n PRO 558 Cb 0.53 -2.45 0.40 0.00 -0.02 0.00 0.00 33.50 31.96 2a8b n PRO 558 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2a8b h ASP 559 N 0.40 0.00 -4.34 2.55 3.45 -1.97 -3.43 116.42 113.07 2a8b h ASP 559 Ca -0.50 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.31 2a8b h ASP 559 Cb 1.34 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 39.81 2a8b h ASP 559 CO 0.52 0.34 -0.87 -0.55 -1.57 0.00 0.00 179.24 177.11 2a8b s SER 560 N -6.52 2.73 0.00 6.45 0.15 -1.26 -5.01 113.70 110.24 2a8b s SER 560 Ca -0.01 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.46 2a8b s SER 560 Cb 0.12 -0.45 0.62 0.00 -1.71 0.00 0.00 66.02 64.61 2a8b s SER 560 CO 0.68 0.26 1.50 0.00 1.20 0.00 0.00 173.24 176.88 2a8b n ALA 561 N 2.67 3.32 -0.04 5.45 0.00 -1.26 -4.39 120.51 126.27 2a8b n ALA 561 Ca -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 2a8b n ALA 561 Cb 0.52 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2a8b n ALA 561 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2a8b h GLN 562 N 0.00 -0.08 -0.64 0.00 -0.00 -1.95 0.41 115.11 112.86 2a8b h GLN 562 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.76 2a8b h GLN 562 Cb 0.51 0.02 -0.08 0.00 0.00 0.00 0.00 27.48 27.93 2a8b h GLN 562 CO 0.00 -0.05 0.22 -1.35 0.00 0.00 0.00 178.83 177.65 2a8b h PRO 563 N -0.08 0.37 -0.41 -2.39 0.11 -2.00 0.42 132.00 128.02 2a8b h PRO 563 Ca 0.12 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.05 2a8b h PRO 563 Cb 0.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2a8b h PRO 563 CO -0.27 0.25 -0.32 1.25 -0.21 0.00 0.00 178.00 178.70 2a8b h LEU 564 N 0.39 0.98 -0.57 2.35 5.85 -1.66 -1.99 115.31 120.67 2a8b h LEU 564 Ca 0.33 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2a8b h LEU 564 Cb 0.44 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2a8b h LEU 564 CO -0.34 1.21 0.27 -0.07 -0.34 0.00 0.00 178.44 179.16 2a8b h LEU 565 N 0.78 0.35 -0.16 2.25 3.38 -0.51 0.77 115.31 122.17 2a8b h LEU 565 Ca 0.08 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2a8b h LEU 565 Cb 0.91 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2a8b h LEU 565 CO 0.08 0.23 -0.07 -0.61 0.09 0.00 0.00 178.44 178.16 2a8b h GLN 566 N 0.50 -0.05 -0.40 1.13 4.15 -0.69 0.63 115.11 120.38 2a8b h GLN 566 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.74 2a8b h GLN 566 Cb 0.22 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 2a8b h GLN 566 CO -0.21 -0.03 0.14 1.25 -1.93 0.00 0.00 178.83 178.04 2a8b h LEU 567 N -0.05 0.14 -1.20 -2.39 5.85 -1.16 -0.87 115.31 115.62 2a8b h LEU 567 Ca 0.09 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2a8b h LEU 567 Cb 0.18 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2a8b h LEU 567 CO -0.20 0.11 0.55 -0.03 -0.34 0.00 0.00 178.44 178.53 2a8b h MET 568 N 0.29 1.01 -0.02 1.25 4.05 -0.09 -0.90 114.93 120.53 2a8b h MET 568 Ca 0.19 -0.06 -0.25 0.00 -0.28 0.00 0.00 59.70 59.29 2a8b h MET 568 Cb 0.18 -0.23 0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2a8b h MET 568 CO -0.20 0.67 -1.00 -0.07 0.23 0.00 0.00 176.91 176.54 2a8b h LEU 569 N 1.04 0.84 -0.21 3.39 3.38 -0.56 0.65 115.31 123.84 2a8b h LEU 569 Ca 0.33 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2a8b h LEU 569 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2a8b h LEU 569 CO -0.09 1.46 0.07 0.44 0.09 0.00 0.00 178.44 180.40 2a8b h ASP 570 N 0.38 0.31 -0.83 -0.43 3.32 -0.89 -1.68 116.42 116.60 2a8b h ASP 570 Ca -0.11 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2a8b h ASP 570 Cb 1.64 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 41.07 2a8b h ASP 570 CO 0.19 0.42 0.42 0.58 -1.72 0.00 0.00 179.24 179.13 2a8b h VAL 571 N 0.18 1.25 -0.58 -1.35 2.07 -1.17 -1.95 116.25 114.70 2a8b h VAL 571 Ca 0.07 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2a8b h VAL 571 Cb 0.22 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2a8b h VAL 571 CO -0.00 0.30 0.36 -0.08 0.02 0.00 0.00 177.57 178.17 2a8b h GLU 572 N 1.19 0.70 -0.46 1.57 4.81 -0.68 -0.94 114.58 120.77 2a8b h GLU 572 Ca 0.29 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2a8b h GLU 572 Cb 0.09 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2a8b h GLU 572 CO -0.04 0.46 0.31 0.93 -0.73 0.00 0.00 179.01 179.94 2a8b h GLU 573 N 0.72 0.50 -0.27 1.92 5.08 -0.95 -2.32 114.58 119.27 2a8b h GLU 573 Ca 0.23 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 2a8b h GLU 573 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2a8b h GLU 573 CO -0.09 0.33 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.32 2a8b h ASP 574 N 0.51 0.80 -0.41 1.42 3.32 -0.52 -2.17 116.42 119.36 2a8b h ASP 574 Ca 0.18 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 2a8b h ASP 574 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2a8b h ASP 574 CO -0.05 1.15 0.09 0.03 -1.72 0.00 0.00 179.24 178.74 2a8b h ARG 575 N 0.57 0.67 -0.19 3.56 3.08 -0.99 -1.47 114.38 119.61 2a8b h ARG 575 Ca 0.03 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2a8b h ARG 575 Cb 1.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2a8b h ARG 575 CO 0.10 0.70 -0.05 1.25 -1.07 0.00 0.00 179.97 180.90 2a8b h LEU 576 N 0.53 0.26 -0.06 3.04 5.85 -1.41 -1.27 115.31 122.26 2a8b h LEU 576 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2a8b h LEU 576 Cb 0.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2a8b h LEU 576 CO 0.00 0.36 -0.03 0.00 -0.34 0.00 0.00 178.44 178.43 2a8b n ALA 577 N -2.49 2.58 -2.41 1.25 0.00 -0.82 -4.16 120.51 114.46 2a8b n ALA 577 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 2a8b n ALA 577 Cb 0.22 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2a8b n ALA 577 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a8b n SER 578 N -1.17 4.05 -4.70 0.00 7.64 -0.48 -5.06 113.62 113.91 2a8b n SER 578 Ca 0.15 -3.45 -0.44 0.00 1.01 0.00 0.00 58.87 56.14 2a8b n SER 578 Cb 0.24 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2a8b n SER 578 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2a8b n GLN 579 N -0.49 2.47 -0.31 1.43 7.27 -1.23 -2.20 117.38 124.31 2a8b n GLN 579 Ca 0.34 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.30 2a8b n GLN 579 Cb 0.78 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.74 2a8b n GLN 579 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a8b n GLY 580 N 3.60 1.60 3.96 1.69 0.00 -1.26 -5.02 105.19 109.75 2a8b n GLY 580 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2a8b n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a8b s ARG 581 N -0.28 1.08 0.49 1.61 0.52 -0.94 -5.08 118.95 116.35 2a8b s ARG 581 Ca 0.00 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.45 2a8b s ARG 581 Cb 0.00 -2.04 0.11 0.00 0.52 0.00 0.00 34.95 33.54 2a8b s ARG 581 CO 0.00 -2.01 0.66 0.41 0.02 0.00 0.00 175.30 174.38 2a8b n GLY 582 N -3.39 -1.23 3.75 -3.53 0.00 0.28 -5.00 105.19 96.08 2a8b n GLY 582 Ca 0.15 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2a8b n GLY 582 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a8b s PRO 583 N -4.43 3.21 0.01 1.61 0.02 -1.22 -4.33 135.00 129.86 2a8b s PRO 583 Ca 0.38 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 2a8b s PRO 583 Cb -0.01 -2.29 -0.06 0.00 0.02 0.00 0.00 34.50 32.16 2a8b s PRO 583 CO 0.26 -1.13 1.49 0.08 -0.33 0.00 0.00 177.00 177.37 2a8b s VAL 584 N -1.31 3.52 -0.14 3.83 1.01 -0.87 -4.22 120.40 122.21 2a8b s VAL 584 Ca 0.70 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 2a8b s VAL 584 Cb -0.40 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2a8b s VAL 584 CO 0.48 -0.01 0.77 -0.69 0.00 0.00 0.00 175.10 175.65 2a8b s VAL 585 N 2.61 4.94 -0.06 2.92 1.01 -0.43 -0.84 120.40 130.55 2a8b s VAL 585 Ca 0.67 1.53 0.04 0.00 0.00 0.00 0.00 61.98 64.22 2a8b s VAL 585 Cb -0.34 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 2a8b s VAL 585 CO 0.28 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 2a8b s VAL 586 N 1.75 1.61 0.12 2.92 1.01 0.72 0.26 120.40 128.79 2a8b s VAL 586 Ca 0.37 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2a8b s VAL 586 Cb -0.17 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2a8b s VAL 586 CO 0.14 0.46 0.30 -1.38 0.00 0.00 0.00 175.10 174.62 2a8b s HIS 587 N 0.15 0.03 0.00 5.22 -3.43 0.14 -1.95 115.29 115.44 2a8b s HIS 587 Ca -0.08 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 2a8b s HIS 587 Cb -0.14 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2a8b s HIS 587 CO 0.04 -0.64 0.00 0.00 -2.00 0.00 0.00 174.74 172.14 2a8b n SER 589 N 0.00 1.27 0.09 0.00 2.88 -1.26 -2.81 113.62 113.79 2a8b n SER 589 Ca 0.00 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.86 2a8b n SER 589 Cb 0.00 -0.47 0.01 0.00 -0.75 0.00 0.00 64.21 63.00 2a8b n SER 589 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a8b n ALA 590 N -3.81 2.65 -2.23 -1.46 0.00 -1.26 -0.57 120.51 113.84 2a8b n ALA 590 Ca -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 2a8b n ALA 590 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2a8b n ALA 590 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a8b n GLY 591 N 1.22 0.30 0.00 0.00 0.00 -1.23 -4.15 105.19 101.33 2a8b n GLY 591 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2a8b n GLY 591 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2a8b n ILE 592 N -3.78 0.00 0.00 -0.61 -5.35 -1.26 -4.22 119.36 104.14 2a8b n ILE 592 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2a8b n ILE 592 Cb 0.53 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 2a8b n ILE 592 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a8b n GLY 593 N 1.62 0.50 0.31 3.28 0.00 -1.26 -0.71 105.19 108.93 2a8b n GLY 593 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2a8b n GLY 593 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a8b h ARG 594 N 0.00 0.80 -0.26 1.61 3.08 -1.96 -0.29 114.38 117.37 2a8b h ARG 594 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2a8b h ARG 594 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2a8b h ARG 594 CO 0.00 0.53 0.12 1.15 -1.07 0.00 0.00 179.97 180.70 2a8b h THR 595 N 0.82 0.99 -0.86 2.04 2.02 -1.88 -0.43 112.91 115.62 2a8b h THR 595 Ca 0.40 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.50 2a8b h THR 595 Cb 0.35 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2a8b h THR 595 CO -0.24 0.05 0.56 1.23 0.37 0.00 0.00 175.52 177.49 2a8b h GLY 596 N 0.26 1.21 0.93 2.16 0.00 -0.86 -1.73 103.07 105.06 2a8b h GLY 596 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2a8b h GLY 596 CO -0.08 0.45 -0.05 0.00 0.00 0.00 0.00 176.54 176.87 2a8b h PHE 598 N -0.11 0.81 -0.06 0.00 3.57 -0.82 -1.00 116.94 119.33 2a8b h PHE 598 Ca 0.00 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 2a8b h PHE 598 Cb 0.11 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.59 2a8b h PHE 598 CO -0.10 0.51 -0.64 0.82 -2.23 0.00 0.00 178.31 176.67 2a8b h ILE 599 N 0.87 1.37 -0.63 1.41 2.04 -1.27 -1.31 117.51 119.99 2a8b h ILE 599 Ca 0.24 -1.99 0.02 0.00 1.00 0.00 0.00 64.86 64.13 2a8b h ILE 599 Cb -0.09 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2a8b h ILE 599 CO -0.06 0.60 0.41 0.00 0.00 0.00 0.00 178.15 179.10 2a8b h ALA 600 N 0.42 0.81 -0.13 1.87 0.00 -0.80 -1.77 119.26 119.65 2a8b h ALA 600 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a8b h ALA 600 Cb 1.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2a8b h ALA 600 CO 0.13 0.19 0.06 1.15 0.00 0.00 0.00 179.25 180.78 2a8b h THR 601 N 0.81 1.14 -0.41 0.00 2.02 -1.20 -0.05 112.91 115.23 2a8b h THR 601 Ca 0.24 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 67.10 2a8b h THR 601 Cb -0.04 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 2a8b h THR 601 CO -0.08 0.12 -0.03 0.28 0.37 0.00 0.00 175.52 176.19 2a8b h SER 602 N 0.07 -0.23 -0.19 4.18 0.02 -0.91 0.21 113.55 116.71 2a8b h SER 602 Ca 0.04 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2a8b h SER 602 Cb 0.14 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2a8b h SER 602 CO -0.00 -0.07 -0.27 0.40 -1.14 0.00 0.00 176.83 175.74 2a8b h ILE 603 N 0.08 1.34 -0.54 3.27 2.04 -1.29 -2.49 117.51 119.91 2a8b h ILE 603 Ca 0.20 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 2a8b h ILE 603 Cb 0.29 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2a8b h ILE 603 CO -0.36 0.45 0.11 1.23 0.00 0.00 0.00 178.15 179.58 2a8b h GLY 604 N 0.17 0.90 1.69 5.37 0.00 -0.77 0.13 103.07 110.56 2a8b h GLY 604 Ca 0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 2a8b h GLY 604 CO 0.06 0.50 -0.15 0.00 0.00 0.00 0.00 176.54 176.95 2a8b h GLN 606 N 0.35 0.91 -0.69 0.00 4.15 -0.76 -0.82 115.11 118.24 2a8b h GLN 606 Ca 0.07 -0.44 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 2a8b h GLN 606 Cb 0.48 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2a8b h GLN 606 CO 0.03 1.09 0.16 0.37 -1.93 0.00 0.00 178.83 178.55 2a8b h GLN 607 N 0.73 1.11 -0.69 1.69 4.15 -0.62 -2.12 115.11 119.36 2a8b h GLN 607 Ca 0.08 -0.27 0.05 0.00 0.77 0.00 0.00 58.65 59.28 2a8b h GLN 607 Cb 0.87 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 2a8b h GLN 607 CO 0.08 0.98 0.41 -0.07 -1.93 0.00 0.00 178.83 178.30 2a8b h LEU 608 N 1.05 0.65 -0.75 -2.39 3.38 -0.70 0.37 115.31 116.93 2a8b h LEU 608 Ca 0.22 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2a8b h LEU 608 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2a8b h LEU 608 CO 0.00 0.43 -0.23 0.50 0.09 0.00 0.00 178.44 179.24 2a8b h LYS 609 N 0.78 0.71 0.06 1.13 1.63 -0.96 -2.29 116.57 117.63 2a8b h LYS 609 Ca 0.29 -0.28 -0.37 0.00 -0.85 0.00 0.00 60.65 59.45 2a8b h LYS 609 Cb 0.11 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 2a8b h LYS 609 CO -0.14 0.87 -2.17 0.39 -3.45 0.00 0.00 179.45 174.95 2a8b n GLU 610 N -4.11 0.70 -0.00 1.90 -0.58 -0.81 -4.63 120.64 113.10 2a8b n GLU 610 Ca 0.00 0.20 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2a8b n GLU 610 Cb 0.43 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 2a8b n GLU 610 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2a8b n GLU 611 N -3.29 1.55 -0.98 3.49 1.02 0.11 -5.00 120.64 117.54 2a8b n GLU 611 Ca -0.35 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 2a8b n GLU 611 Cb 1.04 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 2a8b n GLU 611 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a8b n GLY 612 N 1.73 0.79 3.29 0.62 0.00 -0.86 -4.99 105.19 105.76 2a8b n GLY 612 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2a8b n GLY 612 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a8b s VAL 613 N -3.13 0.27 -0.14 1.61 -7.23 -1.25 -3.81 120.40 106.73 2a8b s VAL 613 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2a8b s VAL 613 Cb 0.00 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.45 2a8b s VAL 613 CO 0.00 0.00 0.33 0.54 -0.31 0.00 0.00 175.10 175.66 2a8b s VAL 614 N -3.80 -0.03 -0.84 1.32 0.11 0.13 -2.63 120.40 114.66 2a8b s VAL 614 Ca 0.38 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 2a8b s VAL 614 Cb 0.06 -0.49 0.21 0.00 -1.53 0.00 0.00 36.38 34.63 2a8b s VAL 614 CO 0.16 0.04 0.71 -0.62 -3.33 0.00 0.00 175.10 172.05 2a8b s ASP 615 N 1.08 5.75 0.28 3.54 -1.08 -1.26 0.09 116.67 125.06 2a8b s ASP 615 Ca -0.07 -3.69 0.01 0.00 -0.52 0.00 0.00 52.55 48.27 2a8b s ASP 615 Cb -0.08 -1.86 0.41 0.00 -1.46 0.00 0.00 42.92 39.93 2a8b s ASP 615 CO -0.08 -0.18 1.77 0.00 0.52 0.00 0.00 175.17 177.20 2a8b h ALA 616 N 5.97 1.15 0.46 3.66 0.00 -1.98 -1.44 119.26 127.09 2a8b h ALA 616 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2a8b h ALA 616 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2a8b h ALA 616 CO 0.82 0.54 -0.35 1.25 0.00 0.00 0.00 179.25 181.52 2a8b h LEU 617 N 0.60 -0.90 -0.61 0.00 5.85 -1.91 -1.80 115.31 116.53 2a8b h LEU 617 Ca 0.11 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2a8b h LEU 617 Cb 0.50 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2a8b h LEU 617 CO 0.03 -0.52 0.31 -1.28 -0.34 0.00 0.00 178.44 176.65 2a8b h SER 618 N -0.79 0.44 -0.31 1.25 0.87 -1.57 -1.56 113.55 111.88 2a8b h SER 618 Ca -0.05 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2a8b h SER 618 Cb 0.68 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2a8b h SER 618 CO 0.01 0.29 0.03 0.40 -0.53 0.00 0.00 176.83 177.03 2a8b h ILE 619 N 0.58 0.81 -0.46 2.23 2.04 -1.15 -0.26 117.51 121.31 2a8b h ILE 619 Ca 0.28 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 2a8b h ILE 619 Cb 0.21 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2a8b h ILE 619 CO -0.20 0.02 -0.10 0.58 0.00 0.00 0.00 178.15 178.45 2a8b h VAL 620 N 0.14 1.26 -0.61 1.67 2.07 -0.91 -0.37 116.25 119.49 2a8b h VAL 620 Ca 0.15 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2a8b h VAL 620 Cb 0.18 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2a8b h VAL 620 CO -0.22 0.41 0.26 0.00 0.02 0.00 0.00 177.57 178.04 2a8b h GLN 622 N 0.85 0.97 -0.64 0.00 1.08 -0.87 -1.71 115.11 114.80 2a8b h GLN 622 Ca 0.21 -0.37 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2a8b h GLN 622 Cb 0.18 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 2a8b h GLN 622 CO -0.02 1.04 0.34 -0.07 -0.95 0.00 0.00 178.83 179.18 2a8b h LEU 623 N 0.84 0.50 -1.31 1.46 3.38 -0.83 -1.16 115.31 118.19 2a8b h LEU 623 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2a8b h LEU 623 Cb 0.68 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2a8b h LEU 623 CO 0.05 0.32 0.00 0.03 0.09 0.00 0.00 178.44 178.93 2a8b h ARG 624 N 0.64 0.00 -0.08 1.13 3.08 -1.09 0.53 114.38 118.58 2a8b h ARG 624 Ca 0.29 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 2a8b h ARG 624 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2a8b h ARG 624 CO -0.19 0.00 -0.44 1.98 -1.07 0.00 0.00 179.97 180.25 2a8b h MET 625 N 0.00 0.19 0.12 0.04 4.05 -0.28 -3.30 114.93 115.75 2a8b h MET 625 Ca 0.00 -0.09 -0.31 0.00 -0.28 0.00 0.00 59.70 59.01 2a8b h MET 625 Cb 0.44 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2a8b h MET 625 CO 0.00 0.60 -1.59 -0.44 0.23 0.00 0.00 176.91 175.71 2a8b h ASP 626 N 0.16 0.41 -1.34 1.39 3.32 -0.51 -3.46 116.42 116.37 2a8b h ASP 626 Ca 0.01 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.54 2a8b h ASP 626 Cb 0.85 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 40.05 2a8b h ASP 626 CO 0.07 1.50 -0.26 -0.60 -1.72 0.00 0.00 179.24 178.23 2a8b s ARG 627 N -2.61 0.55 0.20 3.56 3.52 0.02 -4.58 118.95 119.61 2a8b s ARG 627 Ca -0.10 1.08 -0.32 0.00 -0.13 0.00 0.00 55.73 56.26 2a8b s ARG 627 Cb 0.07 0.55 -0.15 0.00 -1.56 0.00 0.00 34.95 33.86 2a8b s ARG 627 CO 0.85 -0.51 1.13 0.41 -0.81 0.00 0.00 175.30 176.37 2a8b n GLY 628 N 5.43 -0.00 1.81 8.12 0.00 -1.24 -2.85 105.19 116.45 2a8b n GLY 628 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2a8b n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8b n GLY 629 N 1.86 0.79 3.68 -0.02 0.00 0.13 -4.82 105.19 106.81 2a8b n GLY 629 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 2a8b n GLY 629 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2a8b n MET 630 N -2.18 2.29 -2.25 1.61 2.81 -1.13 -3.37 117.12 114.89 2a8b n MET 630 Ca 0.00 0.83 -0.01 0.00 -1.81 0.00 0.00 57.70 56.71 2a8b n MET 630 Cb 0.00 -2.63 -0.01 0.00 -0.71 0.00 0.00 33.22 29.87 2a8b n MET 630 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2a8b n VAL 631 N 3.86 -8.66 0.05 2.03 0.31 0.11 -4.73 118.33 111.30 2a8b n VAL 631 Ca 0.18 1.35 -0.17 0.00 -0.01 0.00 0.00 64.34 65.68 2a8b n VAL 631 Cb 0.30 -5.76 -0.14 0.00 -0.91 0.00 0.00 33.84 27.33 2a8b n VAL 631 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2a8b h GLN 632 N 2.12 0.25 -5.96 5.55 5.75 -1.73 -3.47 115.11 117.62 2a8b h GLN 632 Ca -0.10 -0.43 -0.62 0.00 -0.15 0.00 0.00 58.65 57.35 2a8b h GLN 632 Cb 0.22 0.16 -0.13 0.00 1.07 0.00 0.00 27.48 28.80 2a8b h GLN 632 CO 0.05 1.11 -0.68 0.95 -2.65 0.00 0.00 178.83 177.61 2a8b s THR 633 N -2.61 2.29 0.24 2.39 -4.23 -1.26 -5.05 115.64 107.43 2a8b s THR 633 Ca -0.11 -2.19 0.09 0.00 -1.18 0.00 0.00 61.69 58.30 2a8b s THR 633 Cb 0.07 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 2a8b s THR 633 CO 0.84 -0.21 1.55 0.77 -0.54 0.00 0.00 174.62 177.04 2a8b h SER 634 N 2.01 0.05 -0.95 3.99 4.64 -1.94 -2.31 113.55 119.03 2a8b h SER 634 Ca -0.42 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2a8b h SER 634 Cb 1.25 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2a8b h SER 634 CO 0.70 0.71 0.62 -0.08 -0.87 0.00 0.00 176.83 177.90 2a8b h GLU 635 N 0.03 1.26 -0.10 4.77 4.81 -1.97 -0.44 114.58 122.94 2a8b h GLU 635 Ca -0.01 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2a8b h GLU 635 Cb 1.20 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2a8b h GLU 635 CO 0.09 0.85 0.04 1.96 -0.73 0.00 0.00 179.01 181.22 2a8b h GLN 636 N 1.29 0.15 -0.72 1.92 4.20 -1.92 -0.97 115.11 119.06 2a8b h GLN 636 Ca 0.35 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.18 2a8b h GLN 636 Cb -0.13 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.52 2a8b h GLN 636 CO -0.07 0.25 0.23 -0.92 -0.67 0.00 0.00 178.83 177.64 2a8b h TYR 637 N 0.02 0.37 -0.47 2.96 3.20 -1.06 0.71 116.97 122.70 2a8b h TYR 637 Ca 0.03 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2a8b h TYR 637 Cb 0.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2a8b h TYR 637 CO -0.02 -0.01 0.07 0.93 -1.64 0.00 0.00 178.16 177.48 2a8b h GLU 638 N 0.34 0.78 -0.52 1.82 5.08 -0.97 -2.75 114.58 118.35 2a8b h GLU 638 Ca 0.40 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2a8b h GLU 638 Cb 0.64 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2a8b h GLU 638 CO -0.45 0.80 0.35 0.35 -1.00 0.00 0.00 179.01 179.06 2a8b h PHE 639 N 0.64 0.64 -0.76 4.33 3.57 0.06 -0.28 116.94 125.15 2a8b h PHE 639 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2a8b h PHE 639 Cb 0.40 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2a8b h PHE 639 CO 0.03 0.40 0.24 0.28 -2.23 0.00 0.00 178.31 177.03 2a8b h VAL 640 N 0.69 1.26 -0.69 1.41 2.07 -0.71 -1.82 116.25 118.46 2a8b h VAL 640 Ca 0.20 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 2a8b h VAL 640 Cb -0.05 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2a8b h VAL 640 CO -0.04 0.36 0.13 0.45 0.02 0.00 0.00 177.57 178.49 2a8b h HIS 641 N 1.13 1.18 -0.78 1.57 3.86 -0.83 0.45 115.15 121.72 2a8b h HIS 641 Ca 0.25 -0.15 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 2a8b h HIS 641 Cb 0.30 -0.33 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 2a8b h HIS 641 CO 0.03 0.97 0.46 0.45 0.86 0.00 0.00 177.93 180.70 2a8b h HIS 642 N 1.05 0.85 -0.03 2.45 -0.00 -0.86 0.19 115.15 118.79 2a8b h HIS 642 Ca 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 2a8b h HIS 642 Cb 0.41 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2a8b h HIS 642 CO 0.03 0.40 -0.02 0.00 -0.00 0.00 0.00 177.93 178.35 2a8b h ALA 643 N 1.39 0.04 -0.80 2.45 0.00 -0.71 -0.72 119.26 120.92 2a8b h ALA 643 Ca 0.35 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2a8b h ALA 643 Cb 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2a8b h ALA 643 CO -0.19 -0.22 0.52 -0.07 0.00 0.00 0.00 179.25 179.29 2a8b h LEU 644 N -0.36 0.79 -0.17 0.00 3.38 -0.73 0.45 115.31 118.66 2a8b h LEU 644 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2a8b h LEU 644 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2a8b h LEU 644 CO 0.00 0.52 0.05 0.00 0.09 0.00 0.00 178.44 179.11 2a8b h LEU 646 N 0.10 1.00 -0.45 0.00 5.85 -0.40 -2.16 115.31 119.26 2a8b h LEU 646 Ca 0.06 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2a8b h LEU 646 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2a8b h LEU 646 CO -0.00 0.70 0.10 0.22 -0.34 0.00 0.00 178.44 179.12 2a8b h TYR 647 N 1.17 0.76 -0.80 1.25 3.20 -0.83 -3.18 116.97 118.55 2a8b h TYR 647 Ca 0.34 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2a8b h TYR 647 Cb -0.06 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 2a8b h TYR 647 CO -0.00 0.71 0.47 1.49 -1.64 0.00 0.00 178.16 179.19 2a8b h GLU 648 N 0.59 1.08 0.00 1.82 4.22 -0.67 -1.90 114.58 119.73 2a8b h GLU 648 Ca 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2a8b h GLU 648 Cb 0.34 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2a8b h GLU 648 CO 0.00 0.77 0.00 0.66 -2.18 0.00 0.00 179.01 178.26 2a8b h SER 649 N 1.10 0.00 0.23 1.04 4.64 -1.42 -1.41 113.55 117.74 2a8b h SER 649 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2a8b h SER 649 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2a8b h SER 649 CO -0.05 0.00 -0.61 0.54 -0.87 0.00 0.00 176.83 175.84 2a8b n ARG 650 N -3.05 0.31 -2.32 4.77 1.74 -0.72 -4.93 116.66 112.46 2a8b n ARG 650 Ca -0.03 -0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 56.49 2a8b n ARG 650 Cb 0.08 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 2a8b n ARG 650 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2a8b s LEU 651 N -2.84 3.72 0.40 0.55 1.43 -0.53 -5.00 118.68 116.40 2a8b s LEU 651 Ca 0.13 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.94 2a8b s LEU 651 Cb 0.17 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 2a8b s LEU 651 CO 0.70 -1.02 1.24 -0.44 0.23 0.00 0.00 176.35 177.07 2a8b s SER 652 N -2.14 6.44 0.48 2.29 0.01 -1.26 -4.94 113.70 114.59 2a8b s SER 652 Ca 0.68 2.52 -0.19 0.00 1.31 0.00 0.00 55.95 60.27 2a8b s SER 652 Cb -0.18 -2.63 -0.15 0.00 0.21 0.00 0.00 66.02 63.27 2a8b s SER 652 CO 0.26 -0.75 -0.05 0.00 0.41 0.00 0.00 173.24 173.12 2a8b n ALA 653 N 0.17 -2.95 -0.02 1.44 0.00 -1.26 -4.85 120.51 113.03 2a8b n ALA 653 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2a8b n ALA 653 Cb 0.45 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2a8b n ALA 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2a8b h GLU 654 N 0.08 0.14 0.00 0.00 4.81 -2.01 -3.55 114.58 114.05 2a8b h GLU 654 Ca -0.40 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2a8b h GLU 654 Cb 1.45 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2a8b h GLU 654 CO 0.43 0.34 0.00 0.25 -0.73 0.00 0.00 179.01 179.30