#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ojx n LEU 374 N 0.00 0.65 -0.03 2.41 4.77 -1.26 -3.25 117.00 120.29 2ojx n LEU 374 Ca 0.00 -0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 2ojx n LEU 374 Cb 0.00 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 2ojx n LEU 374 CO 0.00 0.13 -0.12 0.28 -1.33 0.00 0.00 177.39 176.35 2ojx h SER 375 N 0.00 0.21 -0.02 -1.43 0.02 -1.97 -0.72 113.55 109.64 2ojx h SER 375 Ca 0.00 -0.84 0.03 0.00 -0.84 0.00 0.00 61.79 60.14 2ojx h SER 375 Cb 0.55 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2ojx h SER 375 CO 0.00 1.37 -0.31 0.44 -1.14 0.00 0.00 176.83 177.20 2ojx h ASP 376 N -0.66 -0.92 0.03 3.07 3.32 -1.95 0.40 116.42 119.70 2ojx h ASP 376 Ca -0.20 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2ojx h ASP 376 Cb 1.43 0.37 -0.05 0.00 0.22 0.00 0.00 39.33 41.31 2ojx h ASP 376 CO 0.00 -0.37 -0.29 -0.03 -1.72 0.00 0.00 179.24 176.84 2ojx h MET 377 N -0.44 -0.44 -0.82 3.56 4.05 -1.66 0.54 114.93 119.73 2ojx h MET 377 Ca 0.07 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.61 2ojx h MET 377 Cb 0.54 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 2ojx h MET 377 CO -0.27 -0.29 0.53 1.25 0.23 0.00 0.00 176.91 178.36 2ojx h LEU 378 N -0.45 0.69 0.27 3.39 5.85 -0.72 0.38 115.31 124.71 2ojx h LEU 378 Ca 0.06 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2ojx h LEU 378 Cb 0.53 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2ojx h LEU 378 CO -0.23 0.41 -0.13 1.56 -0.34 0.00 0.00 178.44 179.71 2ojx h GLN 379 N 0.76 -0.35 -0.97 1.25 4.20 0.93 0.19 115.11 121.11 2ojx h GLN 379 Ca 0.38 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.15 2ojx h GLN 379 Cb 0.45 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2ojx h GLN 379 CO -0.15 -0.09 0.64 1.96 -0.67 0.00 0.00 178.83 180.51 2ojx h GLN 380 N -0.57 1.18 0.13 1.46 4.20 0.10 -1.08 115.11 120.52 2ojx h GLN 380 Ca -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2ojx h GLN 380 Cb 0.42 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2ojx h GLN 380 CO 0.06 0.78 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.87 2ojx h LEU 381 N 1.21 -0.15 -0.89 1.46 3.38 -0.17 -1.89 115.31 118.26 2ojx h LEU 381 Ca 0.39 -0.38 0.24 0.00 0.09 0.00 0.00 57.88 58.22 2ojx h LEU 381 Cb 0.04 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.69 2ojx h LEU 381 CO -0.13 0.35 0.27 -0.74 0.09 0.00 0.00 178.44 178.28 2ojx h HIS 382 N -0.70 0.41 0.40 1.13 2.76 -0.39 -1.40 115.15 117.35 2ojx h HIS 382 Ca -0.02 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2ojx h HIS 382 Cb 0.52 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2ojx h HIS 382 CO 0.08 -0.20 -0.19 1.03 -1.30 0.00 0.00 177.93 177.35 2ojx h SER 383 N 0.23 -0.46 0.41 3.26 0.87 -1.08 0.25 113.55 117.03 2ojx h SER 383 Ca 0.56 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.09 2ojx h SER 383 Cb 1.15 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2ojx h SER 383 CO -0.64 -0.32 -0.23 -0.37 -0.53 0.00 0.00 176.83 174.73 2ojx h VAL 384 N -0.55 0.90 0.20 2.23 -1.51 -0.66 -2.62 116.25 114.23 2ojx h VAL 384 Ca -0.06 -0.89 -0.27 0.00 -1.23 0.00 0.00 66.70 64.26 2ojx h VAL 384 Cb 0.42 1.52 0.03 0.00 -2.13 0.00 0.00 31.29 31.13 2ojx h VAL 384 CO 0.09 0.23 -1.17 0.78 -1.23 0.00 0.00 177.57 176.27 2ojx h ASN 385 N 0.00 0.66 -1.02 4.19 2.35 -1.18 -3.20 115.58 117.39 2ojx h ASN 385 Ca -0.00 -0.94 0.25 0.00 -0.55 0.00 0.00 56.30 55.06 2ojx h ASN 385 Cb 0.50 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.56 2ojx h ASN 385 CO 0.03 1.56 0.65 0.00 -1.65 0.00 0.00 177.43 178.03 2ojx h ALA 386 N 0.11 2.15 0.00 -0.83 0.00 -0.25 0.94 119.26 121.38 2ojx h ALA 386 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ojx h ALA 386 Cb 1.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2ojx h ALA 386 CO 0.21 -0.54 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 2ojx n SER 387 N -4.64 0.00 -3.60 0.00 3.41 -1.01 -4.94 113.62 102.84 2ojx n SER 387 Ca 0.24 -0.17 -0.19 0.00 -0.26 0.00 0.00 58.87 58.49 2ojx n SER 387 Cb 0.82 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2ojx n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ojx n LYS 388 N -1.22 -1.42 0.25 4.33 5.02 0.33 -4.82 118.16 120.63 2ojx n LYS 388 Ca 0.12 0.91 0.18 0.00 -2.02 0.00 0.00 58.31 57.50 2ojx n LYS 388 Cb 0.15 -3.33 0.90 0.00 -0.02 0.00 0.00 35.03 32.74 2ojx n LYS 388 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2ojx h PRO 389 N -0.26 0.00 -0.00 1.97 0.13 -1.78 -2.98 132.00 129.08 2ojx h PRO 389 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ojx h PRO 389 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ojx h PRO 389 CO 0.36 0.00 -0.83 -1.13 -0.23 0.00 0.00 178.00 176.17 2ojx n SER 390 N -3.58 0.95 -3.96 1.44 3.41 -1.16 -1.17 113.62 109.55 2ojx n SER 390 Ca -0.00 -0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 57.33 2ojx n SER 390 Cb 0.26 0.77 0.01 0.00 -0.26 0.00 0.00 64.21 64.99 2ojx n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ojx n GLU 391 N -1.39 4.58 -4.21 4.33 1.02 -1.13 -4.73 120.64 119.11 2ojx n GLU 391 Ca 0.05 -4.54 -0.27 0.00 -0.02 0.00 0.00 57.16 52.38 2ojx n GLU 391 Cb 0.34 -2.52 -0.08 0.00 -0.02 0.00 0.00 31.44 29.16 2ojx n GLU 391 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2ojx s ARG 392 N -2.88 2.35 0.09 3.49 6.06 -1.26 -5.01 118.95 121.80 2ojx s ARG 392 Ca 0.32 -1.10 -0.16 0.00 -2.50 0.00 0.00 55.73 52.29 2ojx s ARG 392 Cb 0.07 -2.34 -0.07 0.00 0.06 0.00 0.00 34.95 32.66 2ojx s ARG 392 CO 0.08 0.46 1.47 0.78 -2.50 0.00 0.00 175.30 175.60 2ojx h GLY 393 N 2.85 0.65 -6.59 8.12 0.00 -1.97 -3.42 103.07 102.71 2ojx h GLY 393 Ca -0.47 -0.57 -0.25 0.00 0.00 0.00 0.00 47.33 46.04 2ojx h GLY 393 CO 0.57 0.52 -0.58 -2.27 0.00 0.00 0.00 176.54 174.79 2ojx s LEU 394 N -9.23 -0.01 -0.48 3.11 2.96 -1.26 -5.12 118.68 108.66 2ojx s LEU 394 Ca -0.13 0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 54.06 2ojx s LEU 394 Cb 0.08 0.49 0.07 0.00 0.50 0.00 0.00 46.19 47.33 2ojx s LEU 394 CO 0.79 -0.22 0.43 -0.69 -1.32 0.00 0.00 176.35 175.34 2ojx s VAL 395 N 2.09 5.17 -0.95 1.68 1.01 -1.26 -4.89 120.40 123.26 2ojx s VAL 395 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2ojx s VAL 395 Cb -0.12 -4.16 0.30 0.00 0.00 0.00 0.00 36.38 32.40 2ojx s VAL 395 CO -0.07 -0.62 1.31 0.54 0.00 0.00 0.00 175.10 176.26 2ojx n ARG 396 N 5.37 4.03 0.28 2.72 1.74 -0.87 -4.81 116.66 125.11 2ojx n ARG 396 Ca -0.11 -4.61 0.15 0.00 -0.77 0.00 0.00 57.85 52.51 2ojx n ARG 396 Cb 0.44 -2.44 0.77 0.00 -1.02 0.00 0.00 32.46 30.22 2ojx n ARG 396 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2ojx h GLN 397 N 4.95 0.00 -0.81 5.56 4.15 -1.74 -2.78 115.11 124.43 2ojx h GLN 397 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.66 2ojx h GLN 397 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 2ojx h GLN 397 CO 1.19 0.08 0.53 1.05 -1.93 0.00 0.00 178.83 179.75 2ojx h GLU 398 N 0.00 1.03 0.00 1.69 9.09 -1.90 -2.23 114.58 122.26 2ojx h GLU 398 Ca -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 2ojx h GLU 398 Cb 0.37 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2ojx h GLU 398 CO 0.01 0.68 0.00 0.93 0.05 0.00 0.00 179.01 180.68 2ojx h GLU 399 N 1.06 0.00 -0.33 1.06 4.39 -1.90 -2.86 114.58 115.99 2ojx h GLU 399 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2ojx h GLU 399 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2ojx h GLU 399 CO -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.76 2ojx n ALA 400 N -1.88 2.52 -2.03 3.43 0.00 -0.84 -4.90 120.51 116.81 2ojx n ALA 400 Ca 0.01 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2ojx n ALA 400 Cb 0.25 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 2ojx n ALA 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ojx s GLU 401 N -1.64 3.63 -0.34 0.00 2.02 -1.08 -1.86 118.70 119.43 2ojx s GLU 401 Ca 0.18 0.56 0.01 0.00 0.02 0.00 0.00 54.97 55.74 2ojx s GLU 401 Cb 0.10 -2.21 0.19 0.00 0.10 0.00 0.00 34.13 32.31 2ojx s GLU 401 CO 0.11 -0.37 0.75 0.34 0.02 0.00 0.00 175.26 176.12 2ojx s ASP 402 N -3.96 -1.19 0.13 -0.19 -1.08 -1.07 -4.78 116.67 104.53 2ojx s ASP 402 Ca 0.52 -0.21 0.08 0.00 -0.52 0.00 0.00 52.55 52.42 2ojx s ASP 402 Cb -0.11 1.63 0.43 0.00 -1.46 0.00 0.00 42.92 43.42 2ojx s ASP 402 CO 0.47 -0.18 1.20 -2.65 0.52 0.00 0.00 175.17 174.54 2ojx n PRO 403 N 4.76 0.05 0.00 4.34 -0.02 -1.26 -1.40 135.00 141.48 2ojx n PRO 403 Ca 0.08 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 2ojx n PRO 403 Cb 0.57 -1.73 0.43 0.00 -0.02 0.00 0.00 33.50 32.75 2ojx n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ojx n ALA 404 N -1.56 2.93 1.07 3.55 0.00 -1.26 -3.86 120.51 121.37 2ojx n ALA 404 Ca -0.01 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.14 2ojx n ALA 404 Cb 0.07 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.47 2ojx n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ojx n ILE 406 N -0.25 0.22 -1.52 0.00 2.08 -1.25 -4.86 119.36 113.78 2ojx n ILE 406 Ca 0.10 -0.08 -0.35 0.00 0.56 0.00 0.00 62.75 62.97 2ojx n ILE 406 Cb 0.43 -1.14 0.09 0.00 -0.75 0.00 0.00 39.64 38.27 2ojx n ILE 406 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2ojx s PRO 407 N 4.23 2.23 0.35 0.38 0.04 -1.26 -4.92 135.00 136.06 2ojx s PRO 407 Ca 1.04 1.93 0.21 0.00 0.04 0.00 0.00 61.00 64.21 2ojx s PRO 407 Cb -1.13 -1.82 0.21 0.00 0.04 0.00 0.00 34.50 31.80 2ojx s PRO 407 CO 0.65 -1.81 1.46 0.82 0.04 0.00 0.00 177.00 178.15 2ojx h ILE 408 N 0.00 0.20 -3.84 0.56 5.03 -2.01 -3.46 117.51 113.99 2ojx h ILE 408 Ca -0.49 -1.29 -0.28 0.00 -0.12 0.00 0.00 64.86 62.67 2ojx h ILE 408 Cb 1.32 2.01 -0.18 0.00 -3.03 0.00 0.00 36.82 36.94 2ojx h ILE 408 CO 0.51 0.11 -0.72 -0.36 -0.68 0.00 0.00 178.15 177.00 2ojx s PHE 409 N -3.17 0.89 -0.18 1.37 0.40 -1.26 -4.88 117.98 111.14 2ojx s PHE 409 Ca 0.05 -0.67 -0.32 0.00 -0.60 0.00 0.00 56.93 55.39 2ojx s PHE 409 Cb 0.06 -0.51 0.14 0.00 0.51 0.00 0.00 43.02 43.23 2ojx s PHE 409 CO 0.71 -0.07 1.14 1.67 0.70 0.00 0.00 175.22 179.37 2ojx s TRP 410 N -2.38 -0.20 -0.50 0.36 -2.14 -1.26 -5.02 118.94 107.79 2ojx s TRP 410 Ca 0.02 0.25 -0.24 0.00 2.66 0.00 0.00 56.10 58.78 2ojx s TRP 410 Cb -0.03 0.49 0.03 0.00 -3.10 0.00 0.00 33.47 30.87 2ojx s TRP 410 CO -0.01 -0.25 0.91 0.08 -2.66 0.00 0.00 176.95 175.02 2ojx s VAL 411 N -1.82 4.47 0.34 -0.66 1.01 -1.26 -1.26 120.40 121.21 2ojx s VAL 411 Ca 0.06 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.61 2ojx s VAL 411 Cb -0.01 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 32.00 2ojx s VAL 411 CO -0.04 -0.93 1.80 0.28 0.00 0.00 0.00 175.10 176.20 2ojx h SER 412 N 9.16 0.21 -5.00 3.32 0.02 0.79 -3.46 113.55 118.59 2ojx h SER 412 Ca -0.25 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 2ojx h SER 412 Cb 1.08 -0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.37 2ojx h SER 412 CO 1.04 0.51 0.08 -0.54 -1.14 0.00 0.00 176.83 176.78 2ojx s LYS 413 N -4.38 0.99 0.04 3.45 1.02 -1.16 -4.98 119.74 114.72 2ojx s LYS 413 Ca -0.05 0.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 2ojx s LYS 413 Cb 0.14 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.89 2ojx s LYS 413 CO 0.75 -0.32 0.04 1.67 -0.92 0.00 0.00 175.35 176.57 2ojx s TRP 414 N -1.52 0.28 -0.09 3.18 1.48 -1.26 0.19 118.94 121.19 2ojx s TRP 414 Ca -0.10 -0.62 -0.03 0.00 -1.06 0.00 0.00 56.10 54.29 2ojx s TRP 414 Cb -0.01 -0.20 0.04 0.00 -1.16 0.00 0.00 33.47 32.14 2ojx s TRP 414 CO 0.06 -0.32 0.08 0.08 -4.06 0.00 0.00 176.95 172.79 2ojx s VAL 415 N -2.57 -0.12 -1.17 -0.66 1.01 0.15 -4.97 120.40 112.06 2ojx s VAL 415 Ca -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2ojx s VAL 415 Cb -0.02 -0.32 0.22 0.00 0.00 0.00 0.00 36.38 36.26 2ojx s VAL 415 CO -0.05 0.01 1.32 -0.67 0.00 0.00 0.00 175.10 175.71 2ojx n ASP 416 N 5.30 5.37 -2.00 3.32 -0.08 -1.26 -1.25 116.55 125.94 2ojx n ASP 416 Ca -0.05 -3.01 -0.23 0.00 -1.51 0.00 0.00 54.79 49.99 2ojx n ASP 416 Cb 0.50 -1.49 0.13 0.00 2.34 0.00 0.00 41.12 42.60 2ojx n ASP 416 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ojx n TYR 417 N 4.30 2.65 1.02 -0.67 -0.00 -0.89 -4.60 117.16 118.97 2ojx n TYR 417 Ca 0.31 -2.23 0.12 0.00 -0.00 0.00 0.00 57.90 56.10 2ojx n TYR 417 Cb 0.41 -0.95 0.57 0.00 -0.00 0.00 0.00 39.34 39.37 2ojx n TYR 417 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 2ojx n SER 418 N -1.02 0.00 0.18 2.98 3.41 -0.91 0.39 113.62 118.64 2ojx n SER 418 Ca 0.53 0.14 0.03 0.00 -0.26 0.00 0.00 58.87 59.31 2ojx n SER 418 Cb 1.12 -0.36 0.33 0.00 -0.26 0.00 0.00 64.21 65.04 2ojx n SER 418 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2ojx h ASP 419 N 0.00 0.00 0.00 4.04 1.82 -1.88 -3.39 116.42 117.01 2ojx h ASP 419 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ojx h ASP 419 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2ojx h ASP 419 CO 0.00 0.42 -0.29 0.29 -1.61 0.00 0.00 179.24 178.05 2ojx n LYS 420 N -3.90 0.15 -0.03 0.28 4.01 -0.92 -5.00 118.16 112.76 2ojx n LYS 420 Ca -0.01 0.06 -0.04 0.00 -0.51 0.00 0.00 58.31 57.81 2ojx n LYS 420 Cb 0.47 -0.68 -0.03 0.00 -0.51 0.00 0.00 35.03 34.28 2ojx n LYS 420 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2ojx n TYR 421 N -3.22 0.00 -1.81 2.13 4.02 0.16 -4.95 117.16 113.50 2ojx n TYR 421 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2ojx n TYR 421 Cb 0.15 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 2ojx n TYR 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ojx n GLY 422 N 3.21 0.01 3.66 2.72 0.00 -0.63 -1.91 105.19 112.25 2ojx n GLY 422 Ca -0.10 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2ojx n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ojx s LEU 423 N 0.00 4.13 -0.11 0.99 0.20 -1.09 -2.09 118.68 120.72 2ojx s LEU 423 Ca 0.00 0.35 -0.03 0.00 0.69 0.00 0.00 54.13 55.13 2ojx s LEU 423 Cb 0.00 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 2ojx s LEU 423 CO 0.00 -0.03 0.02 -0.83 -0.29 0.00 0.00 176.35 175.22 2ojx s GLY 424 N 1.08 1.87 0.06 7.98 0.00 -0.38 -1.44 107.32 116.48 2ojx s GLY 424 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2ojx s GLY 424 CO 0.07 -0.43 -0.04 -2.52 0.00 0.00 0.00 173.10 170.17 2ojx s TYR 425 N -0.62 0.62 -0.15 1.90 -0.85 0.19 0.32 117.35 118.75 2ojx s TYR 425 Ca 0.10 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 2ojx s TYR 425 Cb -0.12 -0.41 0.02 0.00 0.38 0.00 0.00 41.96 41.83 2ojx s TYR 425 CO 0.02 -0.28 -0.18 -1.14 -1.52 0.00 0.00 175.55 172.45 2ojx s GLN 426 N -3.61 2.65 0.71 -3.49 0.74 0.13 -0.51 119.66 116.28 2ojx s GLN 426 Ca 0.06 -0.70 -0.11 0.00 0.05 0.00 0.00 55.36 54.66 2ojx s GLN 426 Cb 0.05 -2.29 0.02 0.00 1.10 0.00 0.00 33.01 31.89 2ojx s GLN 426 CO -0.07 -0.16 1.07 -0.51 -0.55 0.00 0.00 175.29 175.06 2ojx s LEU 427 N 1.23 3.13 0.41 3.68 1.43 -0.17 0.13 118.68 128.53 2ojx s LEU 427 Ca 0.01 1.69 0.29 0.00 -1.03 0.00 0.00 54.13 55.09 2ojx s LEU 427 Cb -0.14 -4.51 1.45 0.00 0.03 0.00 0.00 46.19 43.03 2ojx s LEU 427 CO -0.09 -1.59 1.87 0.00 0.23 0.00 0.00 176.35 176.77 2ojx n ASP 429 N -2.53 1.38 -0.12 0.00 3.85 -1.26 -4.93 116.55 112.95 2ojx n ASP 429 Ca -0.01 -1.50 -0.02 0.00 -0.71 0.00 0.00 54.79 52.55 2ojx n ASP 429 Cb 0.11 -0.02 -0.01 0.00 -1.35 0.00 0.00 41.12 39.85 2ojx n ASP 429 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2ojx n ASN 430 N 0.09 -3.26 -4.86 -1.12 3.02 0.15 -4.67 115.26 104.62 2ojx n ASN 430 Ca 0.19 0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 2ojx n ASN 430 Cb 0.32 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 2ojx n ASN 430 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ojx s SER 431 N -2.72 6.68 0.13 6.41 1.04 -1.26 -4.26 113.70 119.73 2ojx s SER 431 Ca 0.00 1.21 0.10 0.00 0.48 0.00 0.00 55.95 57.74 2ojx s SER 431 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 2ojx s SER 431 CO 0.00 -0.26 -0.24 0.68 0.98 0.00 0.00 173.24 174.40 2ojx s VAL 432 N -2.10 2.47 -0.03 5.02 -7.23 0.54 -0.99 120.40 118.08 2ojx s VAL 432 Ca 0.53 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 2ojx s VAL 432 Cb -0.10 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2ojx s VAL 432 CO 0.22 0.09 0.22 -0.83 -0.31 0.00 0.00 175.10 174.48 2ojx s GLY 433 N -2.11 -0.07 -0.05 2.32 0.00 0.34 0.04 107.32 107.78 2ojx s GLY 433 Ca 0.16 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.11 2ojx s GLY 433 CO 0.08 0.07 -0.09 0.54 0.00 0.00 0.00 173.10 173.70 2ojx s VAL 434 N -0.96 0.88 -0.48 1.40 0.11 -0.46 0.54 120.40 121.43 2ojx s VAL 434 Ca -0.10 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.45 2ojx s VAL 434 Cb -0.05 -0.83 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 2ojx s VAL 434 CO 0.02 0.30 0.42 -0.22 -3.33 0.00 0.00 175.10 172.29 2ojx s LEU 435 N 0.69 5.62 0.00 2.54 2.96 -0.52 -1.90 118.68 128.07 2ojx s LEU 435 Ca -0.12 -1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 52.38 2ojx s LEU 435 Cb -0.15 -2.21 0.10 0.00 0.50 0.00 0.00 46.19 44.44 2ojx s LEU 435 CO 0.02 -0.69 0.46 0.49 -1.32 0.00 0.00 176.35 175.32 2ojx n PHE 436 N 5.29 -3.67 0.95 5.38 3.01 0.63 -2.67 117.46 126.37 2ojx n PHE 436 Ca -0.12 -0.41 0.05 0.00 1.01 0.00 0.00 57.45 57.97 2ojx n PHE 436 Cb 0.43 -0.41 0.14 0.00 -0.01 0.00 0.00 39.48 39.63 2ojx n PHE 436 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2ojx n ASN 437 N -3.52 1.76 -0.39 4.37 3.02 -0.80 -2.80 115.26 116.90 2ojx n ASN 437 Ca 0.06 -2.04 0.05 0.00 -0.03 0.00 0.00 54.58 52.62 2ojx n ASN 437 Cb 0.22 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 2ojx n ASN 437 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2ojx n ASP 438 N 0.38 1.91 -0.05 6.41 5.68 -1.26 -4.95 116.55 124.67 2ojx n ASP 438 Ca 0.10 -1.48 -0.01 0.00 -0.50 0.00 0.00 54.79 52.91 2ojx n ASP 438 Cb 0.29 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2ojx n ASP 438 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2ojx n SER 439 N 0.48 -3.28 -4.91 -1.12 7.64 -1.12 -4.60 113.62 106.71 2ojx n SER 439 Ca 0.06 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 2ojx n SER 439 Cb 0.25 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.58 2ojx n SER 439 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ojx s THR 440 N -1.96 5.23 -0.03 0.44 -4.23 -1.26 -4.16 115.64 109.68 2ojx s THR 440 Ca 0.00 -0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.32 2ojx s THR 440 Cb 0.00 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.22 2ojx s THR 440 CO 0.00 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.13 2ojx s ARG 441 N -2.81 -0.03 -0.16 3.99 1.70 -0.81 -0.27 118.95 120.55 2ojx s ARG 441 Ca 0.39 0.25 -0.07 0.00 -0.47 0.00 0.00 55.73 55.83 2ojx s ARG 441 Cb -0.12 -0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 33.94 2ojx s ARG 441 CO 0.27 -0.20 0.06 -1.17 -1.08 0.00 0.00 175.30 173.18 2ojx s LEU 442 N 1.29 3.85 -0.14 -1.89 2.96 -0.80 -1.90 118.68 122.05 2ojx s LEU 442 Ca -0.07 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2ojx s LEU 442 Cb -0.13 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2ojx s LEU 442 CO -0.03 0.22 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.44 2ojx s ILE 443 N 0.07 1.57 -0.26 6.68 1.09 -0.35 -1.35 121.20 128.65 2ojx s ILE 443 Ca 0.05 -0.64 -0.11 0.00 -1.10 0.00 0.00 60.65 58.85 2ojx s ILE 443 Cb -0.12 -1.46 -0.05 0.00 -1.06 0.00 0.00 42.46 39.76 2ojx s ILE 443 CO 0.01 0.46 0.17 -0.22 -0.10 0.00 0.00 174.94 175.26 2ojx s LEU 444 N 1.37 4.04 0.74 2.97 2.96 0.11 -1.52 118.68 129.34 2ojx s LEU 444 Ca 0.02 0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.85 2ojx s LEU 444 Cb -0.13 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.49 2ojx s LEU 444 CO -0.09 -0.00 1.09 -0.31 -1.32 0.00 0.00 176.35 175.72 2ojx s TYR 445 N 1.46 2.65 -1.02 5.38 1.51 -0.76 -0.34 117.35 126.22 2ojx s TYR 445 Ca 0.07 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 2ojx s TYR 445 Cb -0.15 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 2ojx s TYR 445 CO 0.08 -1.71 0.29 0.27 -1.11 0.00 0.00 175.55 173.37 2ojx n ASN 446 N -3.24 0.55 -0.00 2.29 6.94 -1.26 -1.01 115.26 119.53 2ojx n ASN 446 Ca 0.09 -1.13 0.04 0.00 -0.02 0.00 0.00 54.58 53.57 2ojx n ASN 446 Cb 0.53 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 2ojx n ASN 446 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2ojx n ASP 447 N 0.20 1.04 0.00 0.53 5.68 -1.26 -4.95 116.55 117.79 2ojx n ASP 447 Ca 0.00 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 2ojx n ASP 447 Cb 0.14 1.11 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 2ojx n ASP 447 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ojx n GLY 448 N 1.41 1.87 0.48 6.12 0.00 -0.18 -4.86 105.19 110.02 2ojx n GLY 448 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2ojx n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ojx n ASP 449 N 0.00 1.75 -4.76 1.61 2.03 -1.26 -4.80 116.55 111.11 2ojx n ASP 449 Ca 0.00 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 2ojx n ASP 449 Cb 0.00 -0.15 0.01 0.00 -0.72 0.00 0.00 41.12 40.26 2ojx n ASP 449 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ojx n SER 450 N -3.03 3.46 -4.20 1.67 7.64 -1.26 0.43 113.62 118.33 2ojx n SER 450 Ca -0.12 1.17 -0.15 0.00 1.01 0.00 0.00 58.87 60.78 2ojx n SER 450 Cb 0.60 -1.60 -0.11 0.00 -1.01 0.00 0.00 64.21 62.09 2ojx n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ojx s LEU 451 N -2.28 2.43 -0.06 -3.43 1.43 -1.12 -1.83 118.68 113.81 2ojx s LEU 451 Ca 0.57 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2ojx s LEU 451 Cb -0.47 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.43 2ojx s LEU 451 CO 0.60 -0.26 -0.02 -1.58 0.23 0.00 0.00 176.35 175.33 2ojx s GLN 452 N -2.93 0.64 -0.17 1.70 0.74 -0.58 -2.34 119.66 116.72 2ojx s GLN 452 Ca 0.08 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.50 2ojx s GLN 452 Cb -0.02 -0.85 -0.01 0.00 1.10 0.00 0.00 33.01 33.23 2ojx s GLN 452 CO 0.00 -0.20 -0.11 -0.47 -0.55 0.00 0.00 175.29 173.97 2ojx s TYR 453 N 1.45 2.86 -0.29 1.67 5.04 0.30 -1.22 117.35 127.17 2ojx s TYR 453 Ca -0.03 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2ojx s TYR 453 Cb -0.13 -1.96 0.06 0.00 0.35 0.00 0.00 41.96 40.28 2ojx s TYR 453 CO -0.03 -0.44 -0.04 0.42 -1.34 0.00 0.00 175.55 174.12 2ojx s ILE 454 N 0.94 2.63 0.97 3.14 1.09 -0.80 -0.62 121.20 128.56 2ojx s ILE 454 Ca -0.02 -1.53 -0.12 0.00 -1.10 0.00 0.00 60.65 57.88 2ojx s ILE 454 Cb -0.15 -2.54 0.17 0.00 -1.06 0.00 0.00 42.46 38.88 2ojx s ILE 454 CO -0.01 -0.10 1.10 -1.61 -0.10 0.00 0.00 174.94 174.22 2ojx s GLU 455 N 1.18 0.62 0.51 2.79 2.02 -0.95 -1.93 118.70 122.94 2ojx s GLU 455 Ca -0.06 0.54 0.14 0.00 0.02 0.00 0.00 54.97 55.61 2ojx s GLU 455 Cb -0.20 -1.76 0.75 0.00 0.10 0.00 0.00 34.13 33.03 2ojx s GLU 455 CO -0.03 -2.61 1.35 0.00 0.02 0.00 0.00 175.26 174.00 2ojx h ARG 456 N -1.80 0.00 0.00 1.61 3.08 -1.81 0.75 114.38 116.20 2ojx h ARG 456 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2ojx h ARG 456 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2ojx h ARG 456 CO 0.57 0.00 -1.36 -0.40 -1.07 0.00 0.00 179.97 177.72 2ojx n ASP 457 N -2.37 1.46 0.00 7.04 3.85 -1.26 -5.00 116.55 120.27 2ojx n ASP 457 Ca -0.01 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 53.84 2ojx n ASP 457 Cb 0.55 1.46 0.00 0.00 -1.35 0.00 0.00 41.12 41.78 2ojx n ASP 457 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ojx n GLY 458 N 1.59 0.98 3.75 6.12 0.00 0.26 -5.08 105.19 112.81 2ojx n GLY 458 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2ojx n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ojx s THR 459 N -2.00 2.18 -0.21 2.61 2.01 -1.26 -4.70 115.64 114.27 2ojx s THR 459 Ca 0.00 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2ojx s THR 459 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.48 2ojx s THR 459 CO 0.00 -0.00 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.15 2ojx s GLU 460 N -2.91 2.76 -0.02 4.92 2.02 -1.26 -2.24 118.70 121.97 2ojx s GLU 460 Ca 0.71 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.73 2ojx s GLU 460 Cb -0.39 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2ojx s GLU 460 CO 0.46 -0.33 -0.04 -1.12 0.02 0.00 0.00 175.26 174.25 2ojx s SER 461 N 1.23 4.82 -0.32 -0.19 0.01 0.21 -4.93 113.70 114.53 2ojx s SER 461 Ca 0.01 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2ojx s SER 461 Cb -0.15 -1.20 0.09 0.00 0.21 0.00 0.00 66.02 64.97 2ojx s SER 461 CO -0.10 0.30 0.00 -0.31 0.41 0.00 0.00 173.24 173.54 2ojx s TYR 462 N -0.99 3.62 0.00 2.43 1.51 -1.26 -0.54 117.35 122.12 2ojx s TYR 462 Ca 0.17 -2.81 0.00 0.00 -1.01 0.00 0.00 57.07 53.42 2ojx s TYR 462 Cb -0.11 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 2ojx s TYR 462 CO 0.07 -0.93 0.00 1.28 -1.11 0.00 0.00 175.55 174.86 2ojx n LEU 463 N 4.30 0.00 -3.57 -1.29 4.77 -0.99 -4.95 117.00 115.27 2ojx n LEU 463 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 2ojx n LEU 463 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2ojx n LEU 463 CO 0.22 0.00 0.52 -0.89 -1.33 0.00 0.00 177.39 175.90 2ojx s THR 464 N 2.40 0.00 0.46 -5.08 2.01 -1.26 -2.81 115.64 111.36 2ojx s THR 464 Ca 0.00 0.00 0.16 0.00 0.31 0.00 0.00 61.69 62.16 2ojx s THR 464 Cb 0.00 -1.00 0.33 0.00 0.01 0.00 0.00 72.50 71.84 2ojx s THR 464 CO 0.00 0.00 2.00 0.58 -0.69 0.00 0.00 174.62 176.51 2ojx h VAL 465 N 3.26 0.88 0.00 3.82 2.07 -0.34 -2.76 116.25 123.18 2ojx h VAL 465 Ca -0.26 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 2ojx h VAL 465 Cb 1.15 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2ojx h VAL 465 CO 0.26 0.05 -1.86 -1.54 0.02 0.00 0.00 177.57 174.51 2ojx n SER 466 N -4.46 0.53 0.15 0.57 3.41 -1.26 -4.18 113.62 108.38 2ojx n SER 466 Ca 0.08 0.24 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 2ojx n SER 466 Cb 0.37 0.50 0.55 0.00 -0.26 0.00 0.00 64.21 65.37 2ojx n SER 466 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ojx n SER 467 N -2.84 0.60 -0.77 4.04 3.41 -1.05 -4.90 113.62 112.11 2ojx n SER 467 Ca -0.19 0.73 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 2ojx n SER 467 Cb 0.98 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 2ojx n SER 467 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2ojx n HIS 468 N -2.25 0.00 -0.46 7.33 -0.00 -1.20 -4.82 115.22 113.81 2ojx n HIS 468 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 2ojx n HIS 468 Cb 0.10 -2.12 -0.06 0.00 -0.00 0.00 0.00 29.99 27.92 2ojx n HIS 468 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2ojx n PRO 469 N -2.12 0.00 0.00 1.57 -0.04 -1.26 -4.64 135.00 128.51 2ojx n PRO 469 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2ojx n PRO 469 Cb 0.40 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 2ojx n PRO 469 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ojx n ASN 470 N 1.77 0.00 0.04 3.54 3.02 -1.26 -0.15 115.26 122.22 2ojx n ASN 470 Ca 0.17 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.74 2ojx n ASN 470 Cb 0.08 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.33 2ojx n ASN 470 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ojx n SER 471 N 0.00 0.08 -0.47 6.41 3.41 -1.26 -2.69 113.62 119.10 2ojx n SER 471 Ca 0.00 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.10 2ojx n SER 471 Cb 0.00 -0.33 0.50 0.00 -0.26 0.00 0.00 64.21 64.11 2ojx n SER 471 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ojx n LEU 472 N -1.48 1.49 0.27 1.04 4.77 0.79 -4.38 117.00 119.49 2ojx n LEU 472 Ca -0.00 -0.49 0.16 0.00 -0.03 0.00 0.00 56.01 55.64 2ojx n LEU 472 Cb 0.25 -0.01 0.67 0.00 -2.33 0.00 0.00 43.42 41.99 2ojx n LEU 472 CO 0.01 0.25 0.96 0.24 -1.33 0.00 0.00 177.39 177.52 2ojx h MET 473 N 2.30 0.00 0.28 3.23 2.86 -1.66 0.11 114.93 122.05 2ojx h MET 473 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2ojx h MET 473 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2ojx h MET 473 CO 0.00 0.06 -0.13 0.87 1.06 0.00 0.00 176.91 178.77 2ojx h LYS 474 N 0.00 -0.36 -0.88 1.72 1.57 -1.88 -2.89 116.57 113.85 2ojx h LYS 474 Ca -0.00 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.02 2ojx h LYS 474 Cb 0.53 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.79 2ojx h LYS 474 CO 0.01 -0.11 0.34 0.87 -0.57 0.00 0.00 179.45 179.99 2ojx h LYS 475 N -1.03 0.34 0.00 3.15 1.79 -1.81 0.25 116.57 119.25 2ojx h LYS 475 Ca -0.04 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 2ojx h LYS 475 Cb 0.42 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2ojx h LYS 475 CO 0.06 0.22 -0.23 0.82 -1.08 0.00 0.00 179.45 179.25 2ojx h ILE 476 N 0.35 0.68 0.07 1.86 2.04 -0.83 -2.12 117.51 119.56 2ojx h ILE 476 Ca 0.55 -0.99 -0.25 0.00 1.00 0.00 0.00 64.86 65.17 2ojx h ILE 476 Cb 1.05 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2ojx h ILE 476 CO -0.55 0.22 -1.10 0.74 0.00 0.00 0.00 178.15 177.45 2ojx h THR 477 N 0.00 1.49 -0.07 -0.27 2.02 -0.74 -2.72 112.91 112.62 2ojx h THR 477 Ca -0.00 -2.88 -0.07 0.00 0.77 0.00 0.00 66.41 64.23 2ojx h THR 477 Cb 0.62 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 2ojx h THR 477 CO 0.03 0.84 -0.29 0.25 0.37 0.00 0.00 175.52 176.72 2ojx h LEU 478 N 0.11 0.13 -0.02 2.58 6.46 -0.94 -2.04 115.31 121.59 2ojx h LEU 478 Ca -0.10 -0.04 -0.23 0.00 -0.12 0.00 0.00 57.88 57.39 2ojx h LEU 478 Cb 1.80 -0.03 0.02 0.00 -0.73 0.00 0.00 40.66 41.71 2ojx h LEU 478 CO 0.18 0.42 -0.90 0.25 -0.62 0.00 0.00 178.44 177.77 2ojx h LEU 479 N 0.12 0.83 -1.67 2.25 5.85 -1.36 -2.73 115.31 118.58 2ojx h LEU 479 Ca 0.02 -0.73 -0.04 0.00 0.84 0.00 0.00 57.88 57.97 2ojx h LEU 479 Cb 0.57 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2ojx h LEU 479 CO 0.04 1.44 -0.17 0.11 -0.34 0.00 0.00 178.44 179.53 2ojx h LYS 480 N 0.29 0.00 -0.09 1.25 6.56 -1.26 0.79 116.57 124.12 2ojx h LYS 480 Ca -0.11 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.45 2ojx h LYS 480 Cb 1.56 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.22 2ojx h LYS 480 CO 0.18 0.17 -0.07 -0.92 -2.06 0.00 0.00 179.45 176.75 2ojx h TYR 481 N 0.00 0.24 -0.69 -1.35 5.03 -1.37 0.44 116.97 119.28 2ojx h TYR 481 Ca -0.00 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 2ojx h TYR 481 Cb 0.30 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 2ojx h TYR 481 CO 0.00 0.61 0.25 0.74 -1.32 0.00 0.00 178.16 178.44 2ojx h PHE 482 N -0.20 1.04 0.06 -3.82 -1.00 -1.05 1.00 116.94 112.97 2ojx h PHE 482 Ca 0.02 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 2ojx h PHE 482 Cb 0.56 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.81 2ojx h PHE 482 CO 0.08 0.81 -0.03 -0.09 -1.61 0.00 0.00 178.31 177.47 2ojx h ARG 483 N 1.00 -0.08 -0.57 1.51 2.43 0.69 -1.78 114.38 117.57 2ojx h ARG 483 Ca 0.23 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2ojx h ARG 483 Cb 0.22 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2ojx h ARG 483 CO -0.02 0.27 0.17 -0.91 -1.51 0.00 0.00 179.97 177.97 2ojx h ASN 484 N -0.44 0.84 -0.30 -3.80 2.35 0.13 -2.25 115.58 112.11 2ojx h ASN 484 Ca -0.01 -0.21 0.05 0.00 -0.55 0.00 0.00 56.30 55.58 2ojx h ASN 484 Cb 0.39 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2ojx h ASN 484 CO 0.01 0.84 0.02 0.22 -1.65 0.00 0.00 177.43 176.87 2ojx h TYR 485 N 0.81 0.03 0.00 1.19 3.20 0.11 0.22 116.97 122.53 2ojx h TYR 485 Ca 0.18 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 2ojx h TYR 485 Cb 0.30 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2ojx h TYR 485 CO 0.02 -0.02 -0.50 0.52 -1.64 0.00 0.00 178.16 176.54 2ojx h MET 486 N 0.12 0.00 0.00 1.82 2.86 -1.19 -3.15 114.93 115.39 2ojx h MET 486 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2ojx h MET 486 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2ojx h MET 486 CO -0.22 0.50 -1.15 -1.13 1.06 0.00 0.00 176.91 175.96 2ojx n SER 487 N -3.60 0.57 -0.94 1.22 3.41 -0.86 -5.06 113.62 108.36 2ojx n SER 487 Ca -0.00 -0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.60 2ojx n SER 487 Cb 0.58 0.91 0.17 0.00 -0.26 0.00 0.00 64.21 65.62 2ojx n SER 487 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ojx n GLU 488 N -2.09 2.29 0.00 4.33 4.07 0.75 -5.07 120.64 124.91 2ojx n GLU 488 Ca 0.01 -1.89 0.00 0.00 -0.06 0.00 0.00 57.16 55.22 2ojx n GLU 488 Cb 0.47 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2ojx n GLU 488 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2ojx n ARG 507 N 1.24 0.00 -1.97 5.31 -4.01 -1.26 -5.02 116.66 110.94 2ojx n ARG 507 Ca 0.16 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.54 2ojx n ARG 507 Cb 0.57 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.96 2ojx n ARG 507 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2ojx s LEU 508 N 0.00 3.57 -0.32 2.89 2.96 -1.26 -4.99 118.68 121.54 2ojx s LEU 508 Ca 0.00 1.44 -0.25 0.00 -0.22 0.00 0.00 54.13 55.10 2ojx s LEU 508 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.17 2ojx s LEU 508 CO 0.00 -1.65 0.89 -2.16 -1.32 0.00 0.00 176.35 172.11 2ojx s PRO 509 N 5.54 3.97 0.71 0.98 0.04 -1.26 -5.06 135.00 139.92 2ojx s PRO 509 Ca 0.81 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 2ojx s PRO 509 Cb -0.24 -3.74 0.10 0.00 0.04 0.00 0.00 34.50 30.65 2ojx s PRO 509 CO 0.33 -0.78 1.00 1.52 0.04 0.00 0.00 177.00 179.11 2ojx s TYR 510 N 3.22 2.24 -0.41 0.56 -0.85 -1.26 -4.69 117.35 116.16 2ojx s TYR 510 Ca 0.37 0.07 -0.27 0.00 -0.52 0.00 0.00 57.07 56.72 2ojx s TYR 510 Cb -0.13 -3.15 0.02 0.00 0.38 0.00 0.00 41.96 39.08 2ojx s TYR 510 CO 0.14 -1.57 0.98 -1.17 -1.52 0.00 0.00 175.55 172.40 2ojx s LEU 511 N -5.19 3.93 0.30 -3.49 2.96 -1.26 -0.45 118.68 115.48 2ojx s LEU 511 Ca 0.64 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2ojx s LEU 511 Cb -0.08 -3.32 0.47 0.00 0.50 0.00 0.00 46.19 43.76 2ojx s LEU 511 CO 0.44 -0.98 1.89 0.03 -1.32 0.00 0.00 176.35 176.42 2ojx h ARG 512 N 8.73 0.86 0.00 1.98 3.08 0.12 -3.47 114.38 125.67 2ojx h ARG 512 Ca -0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2ojx h ARG 512 Cb 1.07 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2ojx h ARG 512 CO 1.02 0.69 0.00 -2.37 -1.07 0.00 0.00 179.97 178.24 2ojx n THR 513 N -4.33 0.00 -3.26 2.04 5.66 -1.10 -5.03 114.28 108.26 2ojx n THR 513 Ca 0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.04 2ojx n THR 513 Cb 0.16 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.94 2ojx n THR 513 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2ojx n TRP 514 N -0.16 -1.16 0.00 1.09 4.27 -1.26 -0.95 117.44 119.27 2ojx n TRP 514 Ca 0.00 -0.37 0.00 0.00 -3.89 0.00 0.00 57.50 53.24 2ojx n TRP 514 Cb 0.00 0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.13 2ojx n TRP 514 CO 0.00 0.00 0.00 1.97 -2.29 0.00 0.00 177.69 177.37 2ojx n PHE 515 N -0.12 0.00 -3.30 -2.67 1.16 -0.66 -4.94 117.46 106.93 2ojx n PHE 515 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.38 2ojx n PHE 515 Cb 0.13 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 37.99 2ojx n PHE 515 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2ojx s ARG 516 N -1.19 2.89 0.00 3.97 1.70 -1.26 -0.10 118.95 124.96 2ojx s ARG 516 Ca 0.00 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2ojx s ARG 516 Cb 0.00 -2.72 0.00 0.00 -0.57 0.00 0.00 34.95 31.66 2ojx s ARG 516 CO 0.00 -0.11 0.00 0.25 -1.08 0.00 0.00 175.30 174.36 2ojx n THR 517 N -1.70 0.00 0.61 4.99 -2.24 0.79 -4.96 114.28 111.76 2ojx n THR 517 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 2ojx n THR 517 Cb 0.59 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.11 2ojx n THR 517 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2ojx n ARG 518 N 0.00 0.27 -0.03 -0.78 1.85 -1.26 -3.89 116.66 112.82 2ojx n ARG 518 Ca 0.00 0.14 -0.05 0.00 -1.00 0.00 0.00 57.85 56.95 2ojx n ARG 518 Cb 0.00 -1.74 -0.13 0.00 -1.05 0.00 0.00 32.46 29.54 2ojx n ARG 518 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ojx n SER 519 N -2.16 0.54 -3.33 2.89 7.64 -1.26 -4.90 113.62 113.04 2ojx n SER 519 Ca 0.04 0.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.11 2ojx n SER 519 Cb 0.43 0.49 0.01 0.00 -1.01 0.00 0.00 64.21 64.13 2ojx n SER 519 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ojx s ALA 520 N -2.75 -1.15 -0.06 -0.43 0.00 -1.25 -1.74 121.76 114.38 2ojx s ALA 520 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2ojx s ALA 520 Cb 0.08 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2ojx s ALA 520 CO 0.83 -1.02 -0.18 -1.50 0.00 0.00 0.00 175.76 173.88 2ojx s ILE 521 N -2.75 2.67 -0.16 0.00 2.07 -0.82 -0.15 121.20 122.06 2ojx s ILE 521 Ca 0.15 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 58.53 2ojx s ILE 521 Cb -0.04 -2.03 -0.01 0.00 0.13 0.00 0.00 42.46 40.50 2ojx s ILE 521 CO 0.08 0.57 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.96 2ojx s ILE 522 N -0.36 3.22 -0.22 2.00 1.09 0.85 -1.87 121.20 125.92 2ojx s ILE 522 Ca 0.03 -0.58 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2ojx s ILE 522 Cb -0.12 -2.39 0.02 0.00 -1.06 0.00 0.00 42.46 38.91 2ojx s ILE 522 CO 0.02 0.49 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.47 2ojx s LEU 523 N 0.69 2.73 -0.41 2.97 1.43 -0.14 -1.65 118.68 124.30 2ojx s LEU 523 Ca -0.05 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2ojx s LEU 523 Cb -0.15 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.57 2ojx s LEU 523 CO 0.02 -0.07 0.23 -2.28 0.23 0.00 0.00 176.35 174.48 2ojx s HIS 524 N 1.29 3.35 0.17 0.29 2.46 -0.13 -0.43 115.29 122.29 2ojx s HIS 524 Ca 0.01 -1.61 -0.24 0.00 0.47 0.00 0.00 55.06 53.69 2ojx s HIS 524 Cb -0.15 -2.89 -0.08 0.00 -0.13 0.00 0.00 32.58 29.33 2ojx s HIS 524 CO -0.08 -0.85 0.76 -0.51 -2.47 0.00 0.00 174.74 171.59 2ojx s LEU 525 N 1.39 4.56 0.54 8.88 1.43 -0.75 0.82 118.68 135.54 2ojx s LEU 525 Ca 0.03 1.60 0.36 0.00 -1.03 0.00 0.00 54.13 55.09 2ojx s LEU 525 Cb -0.23 -3.30 1.54 0.00 0.03 0.00 0.00 46.19 44.23 2ojx s LEU 525 CO 0.01 0.20 1.80 0.77 0.23 0.00 0.00 176.35 179.36 2ojx h SER 526 N 4.24 0.02 0.00 2.29 4.64 -1.04 0.37 113.55 124.07 2ojx h SER 526 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2ojx h SER 526 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2ojx h SER 526 CO 0.66 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 2ojx n ASN 527 N -4.20 0.00 0.00 4.97 0.23 -1.26 -4.87 115.26 110.13 2ojx n ASN 527 Ca 0.26 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 2ojx n ASN 527 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.94 2ojx n ASN 527 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ojx n GLY 528 N 0.53 2.97 3.72 4.83 0.00 0.13 -4.91 105.19 112.46 2ojx n GLY 528 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2ojx n GLY 528 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ojx s SER 529 N -1.15 7.19 -0.24 1.61 1.04 -1.24 -4.53 113.70 116.39 2ojx s SER 529 Ca 0.00 1.96 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 2ojx s SER 529 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 2ojx s SER 529 CO 0.00 -0.36 0.15 -0.69 0.98 0.00 0.00 173.24 173.32 2ojx s VAL 530 N 0.71 5.22 -0.09 5.02 1.01 -0.26 -1.82 120.40 130.20 2ojx s VAL 530 Ca 0.55 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2ojx s VAL 530 Cb -0.28 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2ojx s VAL 530 CO 0.30 0.35 -0.10 -1.58 0.00 0.00 0.00 175.10 174.07 2ojx s GLN 531 N 1.07 2.92 -0.14 2.72 0.74 0.42 0.91 119.66 128.30 2ojx s GLN 531 Ca 0.07 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.86 2ojx s GLN 531 Cb -0.14 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.43 2ojx s GLN 531 CO 0.04 0.50 -0.12 0.42 -0.55 0.00 0.00 175.29 175.59 2ojx s ILE 532 N -0.39 1.41 -0.29 -2.34 1.01 0.15 -0.97 121.20 119.79 2ojx s ILE 532 Ca 0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2ojx s ILE 532 Cb -0.12 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2ojx s ILE 532 CO 0.02 0.41 0.13 0.20 0.00 0.00 0.00 174.94 175.70 2ojx s ASN 533 N 1.55 5.48 -0.08 3.58 0.01 -0.78 -1.26 114.94 123.44 2ojx s ASN 533 Ca 0.05 -0.36 -0.21 0.00 -0.71 0.00 0.00 52.86 51.63 2ojx s ASN 533 Cb -0.13 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 2ojx s ASN 533 CO -0.10 -0.13 0.61 -0.36 -1.51 0.00 0.00 177.10 175.61 2ojx s PHE 534 N 1.63 3.57 0.03 2.20 0.40 -0.82 -1.94 117.98 123.04 2ojx s PHE 534 Ca 0.05 1.11 -0.28 0.00 -0.60 0.00 0.00 56.93 57.22 2ojx s PHE 534 Cb -0.16 -2.69 -0.16 0.00 0.51 0.00 0.00 43.02 40.51 2ojx s PHE 534 CO 0.06 0.15 1.29 0.74 0.70 0.00 0.00 175.22 178.16 2ojx h PHE 535 N 6.60 -0.69 -0.09 0.36 0.05 -1.65 -2.86 116.94 118.65 2ojx h PHE 535 Ca -0.42 -0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.37 2ojx h PHE 535 Cb 1.19 0.23 -0.02 0.00 2.00 0.00 0.00 35.95 39.34 2ojx h PHE 535 CO 0.64 -0.36 -0.18 1.96 -0.18 0.00 0.00 178.31 180.18 2ojx h GLN 536 N -0.98 -0.16 -0.65 1.51 4.20 -1.93 -3.18 115.11 113.92 2ojx h GLN 536 Ca -0.08 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2ojx h GLN 536 Cb 0.64 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2ojx h GLN 536 CO 0.12 -0.11 0.00 -0.40 -0.67 0.00 0.00 178.83 177.78 2ojx n ASP 537 N -3.56 4.57 -0.91 1.46 5.75 -1.26 -4.95 116.55 117.64 2ojx n ASP 537 Ca -0.02 -2.37 -0.11 0.00 -0.01 0.00 0.00 54.79 52.29 2ojx n ASP 537 Cb 0.12 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.61 2ojx n ASP 537 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2ojx n HIS 538 N 1.18 -0.10 -2.01 2.11 8.25 -1.08 -4.46 115.22 119.11 2ojx n HIS 538 Ca 0.25 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.40 2ojx n HIS 538 Cb 0.83 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.38 2ojx n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ojx s THR 539 N -1.84 4.41 0.04 1.59 -4.23 -1.25 -4.78 115.64 109.58 2ojx s THR 539 Ca 0.00 0.95 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 2ojx s THR 539 Cb 0.00 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 2ojx s THR 539 CO 0.00 -0.86 -0.06 -0.54 -0.54 0.00 0.00 174.62 172.62 2ojx s LYS 540 N -4.65 0.50 -0.10 3.99 1.02 0.11 -1.95 119.74 118.67 2ojx s LYS 540 Ca 0.58 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.77 2ojx s LYS 540 Cb -0.12 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2ojx s LYS 540 CO 0.44 0.00 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.25 2ojx s LEU 541 N -1.80 1.51 -0.14 3.17 1.43 -0.39 -1.52 118.68 120.95 2ojx s LEU 541 Ca -0.08 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2ojx s LEU 541 Cb -0.07 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2ojx s LEU 541 CO -0.01 -0.03 -0.15 -0.63 0.23 0.00 0.00 176.35 175.76 2ojx s ILE 542 N 1.16 2.85 -0.15 -0.59 1.01 0.15 0.31 121.20 125.94 2ojx s ILE 542 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2ojx s ILE 542 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2ojx s ILE 542 CO -0.03 0.52 -0.19 -0.76 0.00 0.00 0.00 174.94 174.48 2ojx s LEU 543 N 0.52 2.25 -0.22 2.97 1.43 0.26 -0.79 118.68 125.10 2ojx s LEU 543 Ca -0.10 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2ojx s LEU 543 Cb -0.16 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2ojx s LEU 543 CO 0.04 0.08 -0.06 0.00 0.23 0.00 0.00 176.35 176.64 2ojx n PRO 545 N 4.77 0.19 0.16 0.00 -0.04 -1.26 -1.83 135.00 136.98 2ojx n PRO 545 Ca -0.18 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2ojx n PRO 545 Cb 0.51 -1.73 0.21 0.00 -0.04 0.00 0.00 33.50 32.45 2ojx n PRO 545 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2ojx h LEU 546 N 0.00 0.00 -2.53 1.53 3.38 -1.92 -3.26 115.31 112.51 2ojx h LEU 546 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ojx h LEU 546 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2ojx h LEU 546 CO 0.00 0.48 -0.05 1.15 0.09 0.00 0.00 178.44 180.12 2ojx n MET 547 N -3.46 1.75 -4.14 1.13 0.00 -1.22 -4.98 117.12 106.20 2ojx n MET 547 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 57.70 55.89 2ojx n MET 547 Cb 0.61 -0.98 -0.05 0.00 0.00 0.00 0.00 33.22 32.80 2ojx n MET 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ojx n ALA 548 N -0.58 -1.91 -2.38 3.17 0.00 -0.95 -4.78 120.51 113.08 2ojx n ALA 548 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2ojx n ALA 548 Cb 0.43 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 2ojx n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ojx s ALA 549 N -4.04 2.11 -0.10 0.00 0.00 -0.76 -0.54 121.76 118.42 2ojx s ALA 549 Ca 0.10 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2ojx s ALA 549 Cb -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2ojx s ALA 549 CO 0.94 0.50 -0.23 0.54 0.00 0.00 0.00 175.76 177.51 2ojx s VAL 550 N -0.80 1.98 -0.16 0.00 0.11 0.17 -1.77 120.40 119.94 2ojx s VAL 550 Ca 0.11 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 2ojx s VAL 550 Cb -0.10 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2ojx s VAL 550 CO 0.02 0.54 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.41 2ojx s THR 551 N 0.38 3.98 -0.26 5.04 2.01 0.03 0.86 115.64 127.68 2ojx s THR 551 Ca -0.18 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2ojx s THR 551 Cb -0.18 -2.75 0.07 0.00 0.01 0.00 0.00 72.50 69.65 2ojx s THR 551 CO 0.08 0.49 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.99 2ojx s TYR 552 N 0.33 2.76 -0.41 4.92 5.04 0.31 -0.67 117.35 129.63 2ojx s TYR 552 Ca -0.03 -2.06 -0.20 0.00 -2.44 0.00 0.00 57.07 52.34 2ojx s TYR 552 Cb -0.14 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.35 2ojx s TYR 552 CO 0.03 -0.83 0.60 0.42 -1.34 0.00 0.00 175.55 174.43 2ojx s ILE 553 N 1.27 4.89 0.20 3.14 1.01 -0.58 -2.02 121.20 129.10 2ojx s ILE 553 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2ojx s ILE 553 Cb -0.19 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.18 2ojx s ILE 553 CO -0.07 -0.49 0.27 -0.90 0.00 0.00 0.00 174.94 173.75 2ojx n ASP 554 N 6.09 0.44 -0.17 3.58 5.68 -0.49 0.09 116.55 131.78 2ojx n ASP 554 Ca -0.03 -1.35 -0.04 0.00 -0.50 0.00 0.00 54.79 52.87 2ojx n ASP 554 Cb 0.48 -0.17 0.02 0.00 -1.14 0.00 0.00 41.12 40.31 2ojx n ASP 554 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2ojx h GLU 555 N 0.00 -0.12 0.00 0.11 9.09 -1.87 0.32 114.58 122.12 2ojx h GLU 555 Ca -0.09 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2ojx h GLU 555 Cb 0.35 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 2ojx h GLU 555 CO 0.10 -0.08 0.00 0.36 0.05 0.00 0.00 179.01 179.45 2ojx n LYS 556 N -5.42 0.17 -0.75 1.06 2.85 -1.26 -4.86 118.16 109.95 2ojx n LYS 556 Ca 0.04 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 2ojx n LYS 556 Cb 0.33 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 2ojx n LYS 556 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2ojx n ARG 557 N -2.15 0.00 -2.93 -1.58 1.74 0.11 -5.08 116.66 106.76 2ojx n ARG 557 Ca 0.02 0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.80 2ojx n ARG 557 Cb 0.21 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 2ojx n ARG 557 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ojx s ASP 558 N -2.45 7.30 -0.25 0.55 -0.00 -1.25 -4.77 116.67 115.80 2ojx s ASP 558 Ca 0.00 1.66 -0.14 0.00 -0.00 0.00 0.00 52.55 54.08 2ojx s ASP 558 Cb 0.00 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.92 40.37 2ojx s ASP 558 CO 0.00 0.06 0.31 0.72 -0.00 0.00 0.00 175.17 176.27 2ojx s PHE 559 N -1.42 3.29 -0.05 4.23 -0.00 -1.26 -1.40 117.98 121.37 2ojx s PHE 559 Ca 0.43 0.39 -0.02 0.00 -0.00 0.00 0.00 56.93 57.73 2ojx s PHE 559 Cb -0.20 -2.48 0.04 0.00 -0.00 0.00 0.00 43.02 40.38 2ojx s PHE 559 CO 0.24 -0.11 0.09 0.50 -0.00 0.00 0.00 175.22 175.95 2ojx s ARG 560 N 1.65 -0.01 -0.18 1.99 6.06 -0.86 -5.01 118.95 122.60 2ojx s ARG 560 Ca 0.14 0.37 -0.04 0.00 -2.50 0.00 0.00 55.73 53.70 2ojx s ARG 560 Cb -0.15 -0.32 -0.02 0.00 0.06 0.00 0.00 34.95 34.52 2ojx s ARG 560 CO 0.09 -0.25 -0.02 0.99 -2.50 0.00 0.00 175.30 173.61 2ojx s THR 561 N 1.72 3.90 0.05 4.11 2.01 -1.26 0.11 115.64 126.27 2ojx s THR 561 Ca -0.02 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.73 2ojx s THR 561 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2ojx s THR 561 CO -0.04 0.46 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.78 2ojx s TYR 562 N 0.74 2.24 -0.38 4.92 1.51 0.25 -2.61 117.35 124.02 2ojx s TYR 562 Ca -0.01 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.38 2ojx s TYR 562 Cb -0.14 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 2ojx s TYR 562 CO 0.02 0.13 0.95 0.50 -1.11 0.00 0.00 175.55 176.04 2ojx s ARG 563 N -1.27 3.82 0.31 -0.62 3.52 -0.78 0.42 118.95 124.36 2ojx s ARG 563 Ca 0.11 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 56.34 2ojx s ARG 563 Cb -0.10 -3.82 0.83 0.00 -1.56 0.00 0.00 34.95 30.31 2ojx s ARG 563 CO 0.02 -1.00 1.58 -0.07 -0.81 0.00 0.00 175.30 175.03 2ojx h LEU 564 N 10.19 -0.29 -0.06 -0.88 3.38 -1.12 0.23 115.31 126.77 2ojx h LEU 564 Ca -0.23 0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 2ojx h LEU 564 Cb 1.08 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2ojx h LEU 564 CO 1.00 -0.34 -1.06 0.77 0.09 0.00 0.00 178.44 178.90 2ojx h SER 565 N 0.04 0.34 -0.76 -0.43 4.64 -1.91 -1.08 113.55 114.39 2ojx h SER 565 Ca 0.63 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 2ojx h SER 565 Cb 1.36 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2ojx h SER 565 CO -0.86 1.19 0.27 -0.07 -0.87 0.00 0.00 176.83 176.50 2ojx h LEU 566 N 0.10 1.08 -2.13 5.97 3.38 -1.49 0.51 115.31 122.72 2ojx h LEU 566 Ca -0.08 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.75 2ojx h LEU 566 Cb 1.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2ojx h LEU 566 CO 0.17 0.98 0.17 0.25 0.09 0.00 0.00 178.44 180.10 2ojx h LEU 567 N 1.11 0.00 -0.38 1.67 6.46 -0.46 1.33 115.31 125.04 2ojx h LEU 567 Ca 0.25 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2ojx h LEU 567 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2ojx h LEU 567 CO -0.01 0.00 0.00 1.21 -0.62 0.00 0.00 178.44 179.02 2ojx n GLU 568 N -4.15 1.26 -0.11 1.25 2.13 0.17 -0.00 120.64 121.20 2ojx n GLU 568 Ca 0.02 -0.38 -0.17 0.00 0.66 0.00 0.00 57.16 57.28 2ojx n GLU 568 Cb 0.31 -1.48 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 2ojx n GLU 568 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2ojx n GLU 569 N -0.53 0.50 0.01 5.31 4.07 0.44 -4.69 120.64 125.75 2ojx n GLU 569 Ca 0.22 0.15 0.11 0.00 -0.06 0.00 0.00 57.16 57.57 2ojx n GLU 569 Cb 0.20 -1.37 -0.13 0.00 -0.06 0.00 0.00 31.44 30.08 2ojx n GLU 569 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2ojx n TYR 570 N -3.38 0.17 -0.85 4.31 4.02 -0.16 -5.02 117.16 116.25 2ojx n TYR 570 Ca -0.39 0.05 0.02 0.00 -0.01 0.00 0.00 57.90 57.58 2ojx n TYR 570 Cb 0.86 -0.54 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 2ojx n TYR 570 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ojx n GLY 571 N 1.27 -2.17 3.53 2.72 0.00 1.00 -2.04 105.19 109.49 2ojx n GLY 571 Ca -0.03 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2ojx n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ojx s LYS 574 N -4.71 -1.35 0.00 0.00 2.20 -1.26 -1.84 119.74 112.78 2ojx s LYS 574 Ca 0.66 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2ojx s LYS 574 Cb -0.21 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 2ojx s LYS 574 CO 0.59 -3.88 0.00 0.39 -0.36 0.00 0.00 175.35 172.09 2ojx n GLU 575 N -4.95 0.00 0.12 4.03 4.71 -1.26 -4.28 120.64 119.00 2ojx n GLU 575 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.00 2ojx n GLU 575 Cb 0.58 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.85 2ojx n GLU 575 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ojx h LEU 576 N 0.00 0.75 -1.66 -4.62 5.85 -1.92 -2.68 115.31 111.03 2ojx h LEU 576 Ca 0.00 -0.93 0.03 0.00 0.84 0.00 0.00 57.88 57.82 2ojx h LEU 576 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2ojx h LEU 576 CO 0.00 1.64 0.27 0.00 -0.34 0.00 0.00 178.44 180.01 2ojx h ALA 577 N 0.13 1.82 0.00 1.25 0.00 -1.55 -1.52 119.26 119.39 2ojx h ALA 577 Ca -0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2ojx h ALA 577 Cb 2.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2ojx h ALA 577 CO 0.24 0.13 -0.46 0.66 0.00 0.00 0.00 179.25 179.82 2ojx h SER 578 N 0.45 0.00 0.61 0.00 4.64 -1.83 -3.06 113.55 114.36 2ojx h SER 578 Ca 0.16 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.32 2ojx h SER 578 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2ojx h SER 578 CO -0.04 0.39 -0.73 0.03 -0.87 0.00 0.00 176.83 175.62 2ojx h ARG 579 N 0.00 0.09 -0.00 4.77 3.08 -0.95 -1.06 114.38 120.31 2ojx h ARG 579 Ca -0.01 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2ojx h ARG 579 Cb 1.31 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 2ojx h ARG 579 CO 0.05 0.78 -0.72 -0.07 -1.07 0.00 0.00 179.97 178.93 2ojx h LEU 580 N 0.06 0.02 -0.13 3.04 3.38 -1.34 0.22 115.31 120.56 2ojx h LEU 580 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2ojx h LEU 580 Cb 1.29 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2ojx h LEU 580 CO 0.10 0.74 -0.09 0.03 0.09 0.00 0.00 178.44 179.31 2ojx h ARG 581 N 0.01 0.28 -0.05 1.13 3.08 -1.40 0.37 114.38 117.80 2ojx h ARG 581 Ca -0.01 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2ojx h ARG 581 Cb 1.28 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2ojx h ARG 581 CO 0.10 0.66 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.69 2ojx h TYR 582 N -0.09 -0.09 -0.78 3.04 3.20 -1.11 -0.91 116.97 120.23 2ojx h TYR 582 Ca 0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2ojx h TYR 582 Cb 0.59 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 2ojx h TYR 582 CO 0.08 -0.06 0.46 0.00 -1.64 0.00 0.00 178.16 176.99 2ojx h ALA 583 N 1.00 1.09 -0.10 1.82 0.00 -0.52 0.29 119.26 122.83 2ojx h ALA 583 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ojx h ALA 583 Cb 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2ojx h ALA 583 CO -0.08 0.14 -0.20 -0.09 0.00 0.00 0.00 179.25 179.02 2ojx h ARG 584 N 0.81 -0.26 -0.51 0.00 1.12 -0.20 0.44 114.38 115.78 2ojx h ARG 584 Ca 0.36 0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.29 2ojx h ARG 584 Cb 0.25 0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 2ojx h ARG 584 CO -0.20 -0.17 0.25 1.15 -3.11 0.00 0.00 179.97 177.88 2ojx h THR 585 N -0.27 0.94 -0.70 0.20 2.02 0.18 -0.95 112.91 114.32 2ojx h THR 585 Ca 0.09 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2ojx h THR 585 Cb 0.40 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2ojx h THR 585 CO -0.26 0.09 0.46 0.24 0.37 0.00 0.00 175.52 176.42 2ojx h MET 586 N 0.49 0.93 -0.24 6.66 2.86 0.99 -2.48 114.93 124.14 2ojx h MET 586 Ca 0.23 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 2ojx h MET 586 Cb 0.15 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2ojx h MET 586 CO -0.17 0.62 -0.31 0.28 1.06 0.00 0.00 176.91 178.39 2ojx h VAL 587 N 0.95 1.32 -0.37 -2.22 2.07 0.51 -1.89 116.25 116.62 2ojx h VAL 587 Ca 0.26 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.32 2ojx h VAL 587 Cb -0.10 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2ojx h VAL 587 CO -0.05 0.47 -0.47 0.44 0.02 0.00 0.00 177.57 177.97 2ojx h ASP 588 N 0.34 -1.59 -0.86 0.57 3.32 -0.77 -0.24 116.42 117.20 2ojx h ASP 588 Ca 0.03 0.21 0.20 0.00 0.02 0.00 0.00 57.03 57.49 2ojx h ASP 588 Cb 0.88 0.65 -0.12 0.00 0.22 0.00 0.00 39.33 40.97 2ojx h ASP 588 CO 0.07 -0.33 0.35 0.50 -1.72 0.00 0.00 179.24 178.11 2ojx h LYS 589 N -0.32 0.39 0.00 3.56 3.64 -1.42 0.59 116.57 123.01 2ojx h LYS 589 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ojx h LYS 589 Cb 0.50 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2ojx h LYS 589 CO -0.52 0.26 -0.00 -0.07 -2.27 0.00 0.00 179.45 176.85 2ojx h LEU 590 N 0.41 0.00 0.00 5.20 3.38 -0.21 -0.41 115.31 123.67 2ojx h LEU 590 Ca 0.51 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.22 2ojx h LEU 590 Cb 0.92 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2ojx h LEU 590 CO -0.50 0.00 -2.01 0.18 0.09 0.00 0.00 178.44 176.20 2ojx n LEU 591 N -3.51 0.34 0.00 1.67 4.77 0.17 -3.48 117.00 116.95 2ojx n LEU 591 Ca -0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2ojx n LEU 591 Cb 0.08 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2ojx n LEU 591 CO 0.24 0.34 0.09 -1.54 -1.33 0.00 0.00 177.39 175.19 2ojx n SER 592 N -2.77 0.00 -0.21 -1.43 3.41 0.97 -4.14 113.62 109.45 2ojx n SER 592 Ca -0.21 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 2ojx n SER 592 Cb 1.00 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.37 2ojx n SER 592 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ojx h SER 593 N 0.00 0.55 0.00 4.04 4.64 -1.57 -3.50 113.55 117.72 2ojx h SER 593 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2ojx h SER 593 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2ojx h SER 593 CO 0.00 0.30 0.00 -1.14 -0.87 0.00 0.00 176.83 175.12