#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4o n HIS 373 N 0.00 0.00 -0.04 0.00 -0.00 -1.26 -5.00 115.22 108.92 1q4o n HIS 373 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1q4o n HIS 373 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 1q4o n HIS 373 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1q4o h LEU 374 N 0.00 0.77 -0.63 2.41 3.38 -1.99 -2.79 115.31 116.47 1q4o h LEU 374 Ca 0.00 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1q4o h LEU 374 Cb 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1q4o h LEU 374 CO 0.00 1.13 0.35 0.28 0.09 0.00 0.00 178.44 180.29 1q4o h SER 375 N 0.56 0.52 -0.70 -0.43 0.02 -1.95 0.29 113.55 111.86 1q4o h SER 375 Ca 0.03 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1q4o h SER 375 Cb 1.04 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1q4o h SER 375 CO 0.10 0.34 0.24 0.44 -1.14 0.00 0.00 176.83 176.81 1q4o h ASP 376 N 0.65 1.00 -0.51 3.07 3.32 -1.94 -2.81 116.42 119.20 1q4o h ASP 376 Ca 0.28 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1q4o h ASP 376 Cb 0.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1q4o h ASP 376 CO -0.17 0.93 0.24 -0.03 -1.72 0.00 0.00 179.24 178.49 1q4o h MET 377 N 1.02 0.75 -0.92 3.56 4.05 -1.10 -1.73 114.93 120.56 1q4o h MET 377 Ca 0.23 -0.11 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1q4o h MET 377 Cb 0.27 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 1q4o h MET 377 CO -0.01 0.63 0.60 1.25 0.23 0.00 0.00 176.91 179.61 1q4o h LEU 378 N 0.69 1.01 -0.35 3.39 5.85 -0.30 -0.76 115.31 124.84 1q4o h LEU 378 Ca 0.18 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 1q4o h LEU 378 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1q4o h LEU 378 CO -0.02 0.71 -0.83 -0.61 -0.34 0.00 0.00 178.44 177.35 1q4o h GLN 379 N 1.18 0.03 -0.38 1.25 5.75 -1.24 0.70 115.11 122.39 1q4o h GLN 379 Ca 0.36 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.68 1q4o h GLN 379 Cb -0.03 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1q4o h GLN 379 CO -0.10 0.84 -0.31 1.96 -2.65 0.00 0.00 178.83 178.57 1q4o h GLN 380 N 0.02 0.89 -0.25 1.69 4.20 -0.81 0.14 115.11 120.99 1q4o h GLN 380 Ca -0.01 -0.44 -0.19 0.00 0.06 0.00 0.00 58.65 58.06 1q4o h GLN 380 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1q4o h GLN 380 CO 0.11 1.09 -0.61 -0.07 -0.67 0.00 0.00 178.83 178.68 1q4o h LEU 381 N 0.69 0.94 -0.59 1.46 3.38 -1.01 -0.08 115.31 120.11 1q4o h LEU 381 Ca 0.07 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1q4o h LEU 381 Cb 0.90 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1q4o h LEU 381 CO 0.08 1.33 0.21 0.45 0.09 0.00 0.00 178.44 180.60 1q4o h HIS 382 N 0.62 0.93 -0.28 1.13 3.86 -0.60 0.14 115.15 120.94 1q4o h HIS 382 Ca -0.00 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1q4o h HIS 382 Cb 1.22 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1q4o h HIS 382 CO 0.07 0.76 -0.01 1.03 0.86 0.00 0.00 177.93 180.64 1q4o h SER 383 N 0.83 0.49 -0.22 2.45 0.87 -0.89 0.37 113.55 117.45 1q4o h SER 383 Ca 0.19 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 1q4o h SER 383 Cb 0.24 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1q4o h SER 383 CO -0.01 0.69 -0.33 1.62 -0.53 0.00 0.00 176.83 178.27 1q4o h VAL 384 N 0.28 1.32 -0.05 2.23 3.04 -0.76 -2.16 116.25 120.16 1q4o h VAL 384 Ca 0.08 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1q4o h VAL 384 Cb 0.44 1.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1q4o h VAL 384 CO 0.02 0.48 -0.02 0.78 -1.01 0.00 0.00 177.57 177.82 1q4o h ASN 385 N 0.29 0.06 0.41 3.17 2.35 -0.62 -1.33 115.58 119.91 1q4o h ASN 385 Ca 0.02 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1q4o h ASN 385 Cb 0.91 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1q4o h ASN 385 CO 0.08 0.09 -0.58 0.00 -1.65 0.00 0.00 177.43 175.36 1q4o h ALA 386 N 1.92 0.93 0.00 -0.83 0.00 -0.08 -2.44 119.26 118.76 1q4o h ALA 386 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1q4o h ALA 386 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1q4o h ALA 386 CO 0.00 0.72 0.00 0.66 0.00 0.00 0.00 179.25 180.63 1q4o h SER 387 N 0.13 0.00 -6.20 0.00 4.64 -0.58 -3.47 113.55 108.07 1q4o h SER 387 Ca -0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1q4o h SER 387 Cb 1.06 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1q4o h SER 387 CO 0.09 0.00 -0.91 0.29 -0.87 0.00 0.00 176.83 175.43 1q4o n LYS 388 N -2.63 -2.23 0.29 4.77 4.76 -0.92 -4.86 118.16 117.34 1q4o n LYS 388 Ca -0.00 0.50 0.18 0.00 -2.87 0.00 0.00 58.31 56.11 1q4o n LYS 388 Cb 0.17 -4.48 0.87 0.00 -1.84 0.00 0.00 35.03 29.75 1q4o n LYS 388 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1q4o h PRO 389 N -1.83 0.00 -0.01 1.97 0.13 -1.85 0.06 132.00 130.48 1q4o h PRO 389 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1q4o h PRO 389 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1q4o h PRO 389 CO 0.52 0.04 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.15 1q4o n SER 390 N -3.28 0.64 -4.01 1.44 3.41 -1.20 -0.97 113.62 109.65 1q4o n SER 390 Ca -0.01 -0.98 -0.39 0.00 -0.26 0.00 0.00 58.87 57.22 1q4o n SER 390 Cb 0.21 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1q4o n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q4o n GLU 391 N -0.63 3.56 -3.87 4.33 1.02 0.01 -4.79 120.64 120.27 1q4o n GLU 391 Ca 0.19 -4.54 -0.11 0.00 -0.02 0.00 0.00 57.16 52.68 1q4o n GLU 391 Cb 0.25 -2.46 -0.10 0.00 -0.02 0.00 0.00 31.44 29.11 1q4o n GLU 391 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1q4o s ARG 392 N -2.11 0.51 0.01 3.49 1.81 -1.26 -5.04 118.95 116.36 1q4o s ARG 392 Ca 0.32 -0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 53.85 1q4o s ARG 392 Cb 0.00 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1q4o s ARG 392 CO -0.01 -0.12 1.05 0.78 -0.68 0.00 0.00 175.30 176.32 1q4o h GLY 393 N 4.16 -0.53 -7.76 -3.53 0.00 -1.97 -3.40 103.07 90.04 1q4o h GLY 393 Ca -0.31 0.23 -0.64 0.00 0.00 0.00 0.00 47.33 46.60 1q4o h GLY 393 CO 0.42 -0.20 -0.54 -2.27 0.00 0.00 0.00 176.54 173.95 1q4o s LEU 394 N -4.86 3.92 -0.04 3.11 0.20 -1.26 -5.08 118.68 114.67 1q4o s LEU 394 Ca -0.02 -0.09 -0.16 0.00 0.69 0.00 0.00 54.13 54.55 1q4o s LEU 394 Cb 0.00 -2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 43.64 1q4o s LEU 394 CO 0.06 -0.06 0.43 -0.69 -0.29 0.00 0.00 176.35 175.80 1q4o s VAL 395 N 1.72 5.07 -0.44 1.68 1.01 -1.26 -4.84 120.40 123.34 1q4o s VAL 395 Ca 0.07 0.89 0.10 0.00 0.00 0.00 0.00 61.98 63.03 1q4o s VAL 395 Cb -0.16 -3.75 0.35 0.00 0.00 0.00 0.00 36.38 32.82 1q4o s VAL 395 CO 0.09 0.49 0.83 0.54 0.00 0.00 0.00 175.10 177.05 1q4o n ARG 396 N 2.48 1.84 -0.25 2.72 1.74 -0.26 -4.95 116.66 119.98 1q4o n ARG 396 Ca -0.11 -3.93 -0.03 0.00 -0.77 0.00 0.00 57.85 53.01 1q4o n ARG 396 Cb 0.52 -1.89 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 1q4o n ARG 396 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1q4o h GLN 397 N 2.98 0.84 -1.01 5.56 4.15 -1.76 -0.67 115.11 125.20 1q4o h GLN 397 Ca 0.11 -0.05 0.24 0.00 0.77 0.00 0.00 58.65 59.72 1q4o h GLN 397 Cb 0.81 -0.19 -0.11 0.00 0.21 0.00 0.00 27.48 28.20 1q4o h GLN 397 CO 0.62 0.56 0.63 0.93 -1.93 0.00 0.00 178.83 179.64 1q4o h GLU 398 N 0.87 0.52 0.00 1.69 5.08 -1.92 -0.37 114.58 120.44 1q4o h GLU 398 Ca 0.29 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1q4o h GLU 398 Cb 0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1q4o h GLU 398 CO -0.11 0.34 -0.02 0.93 -1.00 0.00 0.00 179.01 179.14 1q4o h GLU 399 N 0.53 0.00 -0.17 2.33 4.39 -1.52 -1.10 114.58 119.05 1q4o h GLU 399 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1q4o h GLU 399 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1q4o h GLU 399 CO -0.37 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 177.50 1q4o n ALA 400 N -2.12 2.52 -2.15 3.43 0.00 -0.15 -4.91 120.51 117.13 1q4o n ALA 400 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1q4o n ALA 400 Cb 0.23 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1q4o n ALA 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q4o s GLU 401 N -1.79 4.73 -0.24 0.00 2.02 -0.42 -1.72 118.70 121.30 1q4o s GLU 401 Ca 0.30 1.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.73 1q4o s GLU 401 Cb 0.16 -3.35 0.07 0.00 0.10 0.00 0.00 34.13 31.11 1q4o s GLU 401 CO 0.24 0.28 0.05 0.34 0.02 0.00 0.00 175.26 176.19 1q4o s ASP 402 N -0.27 3.37 0.51 -0.19 2.15 -0.75 -4.86 116.67 116.63 1q4o s ASP 402 Ca 0.45 -1.12 0.27 0.00 0.43 0.00 0.00 52.55 52.59 1q4o s ASP 402 Cb -0.24 -0.73 1.38 0.00 -0.30 0.00 0.00 42.92 43.03 1q4o s ASP 402 CO 0.30 -0.33 1.92 -0.65 -0.17 0.00 0.00 175.17 176.24 1q4o h PRO 403 N 8.17 0.08 0.00 4.34 0.11 -1.96 -2.19 132.00 140.56 1q4o h PRO 403 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1q4o h PRO 403 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q4o h PRO 403 CO 0.39 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1q4o h ALA 404 N 1.62 1.00 -0.03 -0.75 0.00 -1.96 -2.13 119.26 117.00 1q4o h ALA 404 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1q4o h ALA 404 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1q4o h ALA 404 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1q4o n ILE 406 N 0.30 0.40 -1.87 0.00 5.41 -0.80 -4.90 119.36 117.90 1q4o n ILE 406 Ca 0.18 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.54 1q4o n ILE 406 Cb 0.37 -1.88 0.03 0.00 -0.71 0.00 0.00 39.64 37.46 1q4o n ILE 406 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1q4o s PRO 407 N 3.01 3.09 -0.18 0.38 0.04 -1.26 -4.98 135.00 135.10 1q4o s PRO 407 Ca 0.87 1.20 0.06 0.00 0.04 0.00 0.00 61.00 63.17 1q4o s PRO 407 Cb -0.62 -2.00 -0.22 0.00 0.04 0.00 0.00 34.50 31.70 1q4o s PRO 407 CO 0.44 -0.99 0.10 -0.89 0.04 0.00 0.00 177.00 175.70 1q4o n ILE 408 N -2.37 1.54 -5.15 0.56 -0.00 -1.26 -4.96 119.36 107.72 1q4o n ILE 408 Ca 0.09 -0.70 -0.31 0.00 -0.00 0.00 0.00 62.75 61.83 1q4o n ILE 408 Cb 0.53 -1.17 -0.15 0.00 -0.00 0.00 0.00 39.64 38.85 1q4o n ILE 408 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1q4o s PHE 409 N -2.53 2.42 0.35 1.39 0.40 -1.26 -4.80 117.98 113.95 1q4o s PHE 409 Ca -0.21 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 55.58 1q4o s PHE 409 Cb 0.08 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 42.13 1q4o s PHE 409 CO 0.73 0.04 0.76 1.67 0.70 0.00 0.00 175.22 179.12 1q4o s TRP 410 N -0.67 0.03 -0.31 0.36 -2.14 -1.26 -5.01 118.94 109.94 1q4o s TRP 410 Ca 0.11 -0.62 -0.14 0.00 2.66 0.00 0.00 56.10 58.11 1q4o s TRP 410 Cb -0.10 0.77 -0.03 0.00 -3.10 0.00 0.00 33.47 31.02 1q4o s TRP 410 CO -0.00 -1.44 0.31 0.08 -2.66 0.00 0.00 176.95 173.23 1q4o s VAL 411 N -2.90 5.22 -0.03 -0.66 1.01 -1.26 -1.67 120.40 120.11 1q4o s VAL 411 Ca 0.14 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1q4o s VAL 411 Cb -0.05 -3.71 -0.23 0.00 0.00 0.00 0.00 36.38 32.39 1q4o s VAL 411 CO 0.10 0.05 0.73 0.77 0.00 0.00 0.00 175.10 176.75 1q4o h SER 412 N 8.38 0.01 -4.96 3.32 4.64 -1.13 -3.47 113.55 120.34 1q4o h SER 412 Ca -0.32 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.80 1q4o h SER 412 Cb 1.16 -0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1q4o h SER 412 CO 0.64 1.02 -0.70 -0.54 -0.87 0.00 0.00 176.83 176.38 1q4o s LYS 413 N -2.61 0.49 0.02 4.77 1.02 -1.12 -4.59 119.74 117.72 1q4o s LYS 413 Ca -0.04 -0.87 -0.19 0.00 0.02 0.00 0.00 55.97 54.88 1q4o s LYS 413 Cb 0.08 0.02 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1q4o s LYS 413 CO 0.82 -0.04 0.43 1.67 -0.92 0.00 0.00 175.35 177.32 1q4o s TRP 414 N -2.28 -0.31 -0.08 3.18 1.48 -1.26 -1.62 118.94 118.05 1q4o s TRP 414 Ca -0.06 0.37 -0.01 0.00 -1.06 0.00 0.00 56.10 55.34 1q4o s TRP 414 Cb -0.04 0.23 0.03 0.00 -1.16 0.00 0.00 33.47 32.53 1q4o s TRP 414 CO -0.03 -0.55 -0.01 0.08 -4.06 0.00 0.00 176.95 172.38 1q4o s VAL 415 N -2.07 0.48 -0.61 -0.66 1.01 0.11 -4.96 120.40 113.70 1q4o s VAL 415 Ca -0.08 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1q4o s VAL 415 Cb -0.02 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1q4o s VAL 415 CO 0.01 0.27 0.90 -0.62 0.00 0.00 0.00 175.10 175.66 1q4o s ASP 416 N 1.87 6.22 -0.21 3.32 -1.08 -1.26 -1.26 116.67 124.28 1q4o s ASP 416 Ca 0.04 -0.83 0.11 0.00 -0.52 0.00 0.00 52.55 51.35 1q4o s ASP 416 Cb -0.12 -2.40 0.42 0.00 -1.46 0.00 0.00 42.92 39.36 1q4o s ASP 416 CO -0.05 -1.30 1.21 0.00 0.52 0.00 0.00 175.17 175.55 1q4o n TYR 417 N 7.39 0.22 0.08 -5.34 -0.00 0.30 -4.84 117.16 114.96 1q4o n TYR 417 Ca -0.03 -1.51 0.03 0.00 -0.00 0.00 0.00 57.90 56.39 1q4o n TYR 417 Cb 0.46 -0.25 0.16 0.00 -0.00 0.00 0.00 39.34 39.70 1q4o n TYR 417 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1q4o n SER 418 N -1.01 0.15 -4.56 2.98 3.41 -0.98 -2.14 113.62 111.47 1q4o n SER 418 Ca 0.20 0.40 -0.25 0.00 -0.26 0.00 0.00 58.87 58.97 1q4o n SER 418 Cb 0.73 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1q4o n SER 418 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1q4o s ASP 419 N -2.94 4.21 -0.37 4.04 1.11 -1.26 -4.32 116.67 117.13 1q4o s ASP 419 Ca -0.01 0.52 -0.01 0.00 0.18 0.00 0.00 52.55 53.23 1q4o s ASP 419 Cb 0.02 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1q4o s ASP 419 CO 0.05 -3.35 0.02 1.17 1.18 0.00 0.00 175.17 174.24 1q4o n LYS 420 N 8.92 -0.97 0.00 8.23 0.00 -1.26 -4.67 118.16 128.41 1q4o n LYS 420 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1q4o n LYS 420 Cb 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.73 1q4o n LYS 420 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1q4o n TYR 421 N -1.89 0.00 -2.85 5.64 0.53 -1.02 -5.03 117.16 112.54 1q4o n TYR 421 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 1q4o n TYR 421 Cb 0.17 0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.88 1q4o n TYR 421 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1q4o n GLY 422 N 1.75 -0.11 3.31 2.72 0.00 -0.91 -1.29 105.19 110.65 1q4o n GLY 422 Ca 0.00 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1q4o n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q4o s LEU 423 N 0.00 2.86 0.06 0.99 0.20 -0.35 -0.54 118.68 121.90 1q4o s LEU 423 Ca 0.00 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.43 1q4o s LEU 423 Cb 0.00 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1q4o s LEU 423 CO 0.00 -0.01 0.16 -0.83 -0.29 0.00 0.00 176.35 175.38 1q4o s GLY 424 N 1.42 2.13 0.27 7.98 0.00 -0.39 -0.70 107.32 118.04 1q4o s GLY 424 Ca 0.05 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.73 1q4o s GLY 424 CO -0.03 -0.85 0.58 -2.52 0.00 0.00 0.00 173.10 170.28 1q4o s TYR 425 N -1.44 0.16 -0.02 1.90 -0.85 0.46 0.06 117.35 117.62 1q4o s TYR 425 Ca 0.32 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1q4o s TYR 425 Cb -0.13 0.41 0.02 0.00 0.38 0.00 0.00 41.96 42.64 1q4o s TYR 425 CO 0.25 -1.12 0.01 -1.14 -1.52 0.00 0.00 175.55 172.03 1q4o s GLN 426 N -3.88 0.08 0.67 -3.49 0.74 -0.64 -0.77 119.66 112.37 1q4o s GLN 426 Ca 0.18 0.10 -0.06 0.00 0.05 0.00 0.00 55.36 55.63 1q4o s GLN 426 Cb -0.03 -0.26 0.05 0.00 1.10 0.00 0.00 33.01 33.87 1q4o s GLN 426 CO 0.09 -0.11 0.98 -0.51 -0.55 0.00 0.00 175.29 175.19 1q4o s LEU 427 N 0.76 2.92 0.14 3.68 1.43 -0.23 -0.69 118.68 126.70 1q4o s LEU 427 Ca -0.07 0.50 0.20 0.00 -1.03 0.00 0.00 54.13 53.73 1q4o s LEU 427 Cb -0.10 -3.20 0.82 0.00 0.03 0.00 0.00 46.19 43.75 1q4o s LEU 427 CO -0.02 -1.46 1.61 0.00 0.23 0.00 0.00 176.35 176.70 1q4o n ASP 429 N -1.91 2.37 0.00 0.00 5.75 -1.26 -4.92 116.55 116.57 1q4o n ASP 429 Ca 0.03 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1q4o n ASP 429 Cb 0.21 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1q4o n ASP 429 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1q4o n ASN 430 N 0.53 -1.58 -4.72 -1.12 3.02 -0.70 -4.68 115.26 106.00 1q4o n ASN 430 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.35 1q4o n ASN 430 Cb 0.42 -1.35 0.10 0.00 -0.61 0.00 0.00 39.78 38.35 1q4o n ASN 430 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1q4o s SER 431 N -2.36 4.09 0.19 6.41 1.04 -1.26 -4.64 113.70 117.17 1q4o s SER 431 Ca 0.00 2.20 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1q4o s SER 431 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1q4o s SER 431 CO 0.00 -2.33 -0.17 -0.69 0.98 0.00 0.00 173.24 171.04 1q4o s VAL 432 N -2.30 1.82 0.16 5.02 1.01 0.73 -1.07 120.40 125.77 1q4o s VAL 432 Ca 0.70 -2.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 1q4o s VAL 432 Cb -0.25 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1q4o s VAL 432 CO 0.49 -0.43 0.44 -0.83 0.00 0.00 0.00 175.10 174.78 1q4o s GLY 433 N -2.95 -0.08 -0.08 4.51 0.00 0.05 0.51 107.32 109.28 1q4o s GLY 433 Ca 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 1q4o s GLY 433 CO 0.07 -0.36 0.19 0.54 0.00 0.00 0.00 173.10 173.54 1q4o s VAL 434 N -3.86 -0.02 -0.49 1.40 0.11 -0.67 -0.40 120.40 116.46 1q4o s VAL 434 Ca 0.08 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.05 1q4o s VAL 434 Cb 0.01 -0.28 0.08 0.00 -1.53 0.00 0.00 36.38 34.66 1q4o s VAL 434 CO -0.06 0.03 0.46 -0.22 -3.33 0.00 0.00 175.10 171.98 1q4o s LEU 435 N 0.66 5.62 0.80 2.54 2.96 0.12 -1.69 118.68 129.69 1q4o s LEU 435 Ca -0.05 -1.35 -0.11 0.00 -0.22 0.00 0.00 54.13 52.40 1q4o s LEU 435 Cb -0.06 -2.23 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1q4o s LEU 435 CO -0.03 -0.73 1.09 -0.36 -1.32 0.00 0.00 176.35 174.99 1q4o s PHE 436 N 1.81 2.61 0.33 5.38 0.40 0.12 -1.22 117.98 127.42 1q4o s PHE 436 Ca 0.06 1.38 0.26 0.00 -0.60 0.00 0.00 56.93 58.02 1q4o s PHE 436 Cb -0.24 -3.07 1.26 0.00 0.51 0.00 0.00 43.02 41.48 1q4o s PHE 436 CO 0.07 -1.90 1.99 -0.91 0.70 0.00 0.00 175.22 175.16 1q4o h ASN 437 N -1.20 0.00 -0.04 1.36 2.35 -1.47 -2.04 115.58 114.54 1q4o h ASN 437 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1q4o h ASN 437 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1q4o h ASN 437 CO 0.54 0.16 0.00 -0.90 -1.65 0.00 0.00 177.43 175.59 1q4o n ASP 438 N -3.58 0.23 -0.51 5.81 5.68 -1.26 -4.85 116.55 118.07 1q4o n ASP 438 Ca -0.01 -1.84 -0.07 0.00 -0.50 0.00 0.00 54.79 52.37 1q4o n ASP 438 Cb 0.30 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 1q4o n ASP 438 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1q4o n SER 439 N -0.45 -4.49 -4.91 -1.12 7.64 -0.77 -4.79 113.62 104.73 1q4o n SER 439 Ca 0.05 0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.83 1q4o n SER 439 Cb 0.05 -2.58 -0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1q4o n SER 439 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q4o s THR 440 N -2.02 4.85 -0.02 0.44 -1.32 -1.26 -4.18 115.64 112.13 1q4o s THR 440 Ca 0.00 0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 1q4o s THR 440 Cb 0.00 -3.83 0.01 0.00 -1.51 0.00 0.00 72.50 67.16 1q4o s THR 440 CO 0.00 -0.78 -0.05 -0.13 -2.21 0.00 0.00 174.62 171.44 1q4o s ARG 441 N -4.70 0.64 -0.13 7.08 0.52 -0.66 0.11 118.95 121.82 1q4o s ARG 441 Ca 0.47 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 1q4o s ARG 441 Cb -0.10 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.73 1q4o s ARG 441 CO 0.44 0.03 -0.18 -1.17 0.02 0.00 0.00 175.30 174.44 1q4o s LEU 442 N 0.35 1.90 -0.16 2.53 2.96 -0.68 -0.26 118.68 125.33 1q4o s LEU 442 Ca -0.04 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1q4o s LEU 442 Cb -0.08 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1q4o s LEU 442 CO -0.00 0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 1q4o s ILE 443 N 0.97 3.15 -0.32 6.68 -1.09 0.19 -1.67 121.20 129.10 1q4o s ILE 443 Ca -0.05 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 1q4o s ILE 443 Cb -0.15 -2.37 0.02 0.00 -1.58 0.00 0.00 42.46 38.39 1q4o s ILE 443 CO -0.03 0.49 0.10 -0.22 -1.23 0.00 0.00 174.94 174.06 1q4o s LEU 444 N 0.76 4.13 0.97 2.97 2.96 0.18 -0.80 118.68 129.86 1q4o s LEU 444 Ca -0.04 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 1q4o s LEU 444 Cb -0.15 -1.89 0.18 0.00 0.50 0.00 0.00 46.19 44.82 1q4o s LEU 444 CO 0.01 -0.26 1.11 -0.31 -1.32 0.00 0.00 176.35 175.58 1q4o s TYR 445 N 1.47 1.62 -1.73 5.38 1.51 -0.47 -0.19 117.35 124.94 1q4o s TYR 445 Ca 0.01 1.61 0.26 0.00 -1.01 0.00 0.00 57.07 57.94 1q4o s TYR 445 Cb -0.18 -3.26 1.45 0.00 -0.11 0.00 0.00 41.96 39.86 1q4o s TYR 445 CO 0.03 -3.02 1.90 0.27 -1.11 0.00 0.00 175.55 173.62 1q4o n ASN 446 N -4.37 0.00 0.00 2.29 6.94 -1.26 -1.45 115.26 117.41 1q4o n ASN 446 Ca 0.09 -0.48 0.10 0.00 -0.02 0.00 0.00 54.58 54.27 1q4o n ASN 446 Cb 0.53 -0.14 0.54 0.00 -2.36 0.00 0.00 39.78 38.36 1q4o n ASN 446 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1q4o n ASP 447 N -1.14 0.00 0.00 0.53 5.68 -1.26 -4.90 116.55 115.47 1q4o n ASP 447 Ca 0.16 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1q4o n ASP 447 Cb 0.14 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1q4o n ASP 447 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q4o n GLY 448 N 0.24 0.28 0.74 6.12 0.00 -0.53 -4.73 105.19 107.30 1q4o n GLY 448 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1q4o n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q4o n ASP 449 N -0.36 0.80 -4.62 1.61 2.03 -1.26 -4.87 116.55 109.88 1q4o n ASP 449 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1q4o n ASP 449 Cb 0.18 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 1q4o n ASP 449 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1q4o s SER 450 N -4.10 6.07 -0.11 1.67 0.01 -1.26 -0.67 113.70 115.31 1q4o s SER 450 Ca 0.00 1.61 -0.06 0.00 1.31 0.00 0.00 55.95 58.81 1q4o s SER 450 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1q4o s SER 450 CO 0.00 -1.52 0.13 -0.76 0.41 0.00 0.00 173.24 171.51 1q4o s LEU 451 N 6.23 4.33 -0.15 2.44 1.43 0.53 -1.37 118.68 132.12 1q4o s LEU 451 Ca 0.80 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1q4o s LEU 451 Cb -0.26 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1q4o s LEU 451 CO 0.33 0.39 -0.04 -1.58 0.23 0.00 0.00 176.35 175.68 1q4o s GLN 452 N -1.12 3.62 -0.11 1.70 0.74 0.02 -0.90 119.66 123.62 1q4o s GLN 452 Ca 0.16 -0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1q4o s GLN 452 Cb -0.12 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 1q4o s GLN 452 CO 0.05 0.27 -0.20 -0.47 -0.55 0.00 0.00 175.29 174.40 1q4o s TYR 453 N 0.28 2.64 -0.22 1.67 5.04 0.38 0.52 117.35 127.65 1q4o s TYR 453 Ca -0.03 -0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 53.73 1q4o s TYR 453 Cb -0.14 -1.74 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1q4o s TYR 453 CO 0.03 -0.31 -0.10 0.42 -1.34 0.00 0.00 175.55 174.25 1q4o s ILE 454 N 0.27 2.70 0.91 3.14 1.01 0.64 -0.47 121.20 129.41 1q4o s ILE 454 Ca -0.14 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1q4o s ILE 454 Cb -0.17 -2.30 0.14 0.00 0.01 0.00 0.00 42.46 40.14 1q4o s ILE 454 CO 0.07 0.32 1.11 -1.61 0.00 0.00 0.00 174.94 174.84 1q4o s GLU 455 N 1.33 1.11 0.25 2.79 0.41 0.24 -1.65 118.70 123.19 1q4o s GLU 455 Ca 0.02 1.28 -0.05 0.00 -0.41 0.00 0.00 54.97 55.80 1q4o s GLU 455 Cb -0.15 -1.76 0.48 0.00 -1.78 0.00 0.00 34.13 30.92 1q4o s GLU 455 CO -0.07 -2.48 1.64 0.00 -0.49 0.00 0.00 175.26 173.87 1q4o h ARG 456 N -1.74 0.13 0.00 1.61 3.08 -1.87 -1.48 114.38 114.12 1q4o h ARG 456 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1q4o h ARG 456 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1q4o h ARG 456 CO 0.47 0.09 0.00 -0.40 -1.07 0.00 0.00 179.97 179.06 1q4o n ASP 457 N -5.30 0.00 0.00 7.04 5.68 -1.26 -4.81 116.55 117.90 1q4o n ASP 457 Ca 0.15 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1q4o n ASP 457 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1q4o n ASP 457 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q4o n GLY 458 N 0.35 0.69 3.70 6.12 0.00 -0.55 -5.05 105.19 110.44 1q4o n GLY 458 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1q4o n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q4o s THR 459 N -2.70 4.85 -0.22 2.61 2.01 -1.25 -4.76 115.64 116.18 1q4o s THR 459 Ca 0.00 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.86 1q4o s THR 459 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1q4o s THR 459 CO 0.00 0.09 0.09 -1.61 -0.69 0.00 0.00 174.62 172.50 1q4o s GLU 460 N 1.54 3.88 0.29 4.92 2.02 -1.26 -0.59 118.70 129.50 1q4o s GLU 460 Ca 0.47 -0.38 0.11 0.00 0.02 0.00 0.00 54.97 55.19 1q4o s GLU 460 Cb -0.19 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1q4o s GLU 460 CO 0.21 0.05 -0.10 -1.54 0.02 0.00 0.00 175.26 173.90 1q4o s SER 461 N 1.00 3.95 -0.07 -0.19 1.04 0.38 -4.96 113.70 114.84 1q4o s SER 461 Ca 0.05 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.56 1q4o s SER 461 Cb -0.14 -0.48 0.01 0.00 0.10 0.00 0.00 66.02 65.51 1q4o s SER 461 CO 0.03 -0.05 -0.17 -0.31 0.98 0.00 0.00 173.24 173.73 1q4o s TYR 462 N -2.48 1.83 0.15 5.02 1.51 -1.26 -0.47 117.35 121.65 1q4o s TYR 462 Ca 0.31 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1q4o s TYR 462 Cb -0.04 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1q4o s TYR 462 CO 0.17 -0.31 0.15 1.28 -1.11 0.00 0.00 175.55 175.74 1q4o n LEU 463 N 3.64 0.00 -4.16 -1.29 4.32 -0.08 -4.99 117.00 114.44 1q4o n LEU 463 Ca -0.21 -1.36 -0.19 0.00 -0.02 0.00 0.00 56.01 54.22 1q4o n LEU 463 Cb 0.52 0.86 -0.13 0.00 -1.62 0.00 0.00 43.42 43.06 1q4o n LEU 463 CO 0.26 -0.25 -0.46 0.42 -1.22 0.00 0.00 177.39 176.14 1q4o s THR 464 N -2.60 1.13 0.20 -5.08 -4.23 -1.26 -0.35 115.64 103.45 1q4o s THR 464 Ca 0.16 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1q4o s THR 464 Cb 0.00 -1.06 0.12 0.00 1.34 0.00 0.00 72.50 72.90 1q4o s THR 464 CO 0.12 -0.10 1.79 0.58 -0.54 0.00 0.00 174.62 176.46 1q4o h VAL 465 N 4.39 0.93 0.00 2.29 2.07 -1.23 -2.68 116.25 122.02 1q4o h VAL 465 Ca -0.40 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1q4o h VAL 465 Cb 1.19 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1q4o h VAL 465 CO 0.42 0.10 -0.07 0.77 0.02 0.00 0.00 177.57 178.82 1q4o h SER 466 N 0.57 0.00 0.45 0.57 4.64 -1.93 -1.90 113.55 115.95 1q4o h SER 466 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1q4o h SER 466 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1q4o h SER 466 CO -0.19 0.07 -0.09 0.77 -0.87 0.00 0.00 176.83 176.52 1q4o h SER 467 N 0.00 0.00 -3.74 4.97 4.64 -1.86 -3.47 113.55 114.10 1q4o h SER 467 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1q4o h SER 467 Cb 0.14 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.31 1q4o h SER 467 CO 0.01 0.09 -0.38 1.57 -0.87 0.00 0.00 176.83 177.25 1q4o n HIS 468 N -3.45 -1.19 -2.05 4.77 -0.00 -0.71 -4.92 115.22 107.66 1q4o n HIS 468 Ca -0.01 0.48 -0.43 0.00 -0.00 0.00 0.00 57.72 57.76 1q4o n HIS 468 Cb 0.23 -3.42 -0.03 0.00 -0.00 0.00 0.00 29.99 26.77 1q4o n HIS 468 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1q4o s PRO 469 N -4.92 3.81 0.22 1.57 0.04 -1.26 -4.87 135.00 129.57 1q4o s PRO 469 Ca 0.07 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 1q4o s PRO 469 Cb -0.03 -4.06 0.19 0.00 0.04 0.00 0.00 34.50 30.64 1q4o s PRO 469 CO 0.37 -1.29 1.62 -0.91 0.04 0.00 0.00 177.00 176.83 1q4o h ASN 470 N 10.88 0.74 0.00 6.66 -0.26 -2.01 -1.30 115.58 130.29 1q4o h ASN 470 Ca -0.35 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 1q4o h ASN 470 Cb 1.16 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1q4o h ASN 470 CO 0.99 0.98 0.08 0.77 -1.06 0.00 0.00 177.43 179.19 1q4o h SER 471 N 0.62 0.00 -0.05 5.81 4.64 -2.04 -2.76 113.55 119.77 1q4o h SER 471 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1q4o h SER 471 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1q4o h SER 471 CO 0.06 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 1q4o n LEU 472 N -2.83 1.83 -0.30 5.97 4.77 -0.56 -4.75 117.00 121.13 1q4o n LEU 472 Ca -0.02 -1.63 -0.03 0.00 -0.03 0.00 0.00 56.01 54.30 1q4o n LEU 472 Cb 0.14 -0.03 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1q4o n LEU 472 CO 0.16 0.45 1.16 0.24 -1.33 0.00 0.00 177.39 178.07 1q4o h MET 473 N 0.45 1.19 -0.52 3.23 2.86 -1.08 0.13 114.93 121.18 1q4o h MET 473 Ca 0.00 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1q4o h MET 473 Cb 0.38 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1q4o h MET 473 CO 0.00 0.88 0.26 -0.22 1.06 0.00 0.00 176.91 178.89 1q4o h LYS 474 N 1.19 0.75 -0.13 1.72 1.63 -1.85 0.11 116.57 119.98 1q4o h LYS 474 Ca 0.30 -0.11 -0.18 0.00 -0.85 0.00 0.00 60.65 59.81 1q4o h LYS 474 Cb 0.04 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1q4o h LYS 474 CO -0.05 0.61 -0.66 0.87 -3.45 0.00 0.00 179.45 176.78 1q4o h LYS 475 N 0.70 0.51 -0.51 1.90 1.57 -1.84 -1.40 116.57 117.50 1q4o h LYS 475 Ca 0.18 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1q4o h LYS 475 Cb 0.11 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1q4o h LYS 475 CO -0.02 0.99 0.30 0.82 -0.57 0.00 0.00 179.45 180.97 1q4o h ILE 476 N 0.37 1.16 -0.74 1.86 2.04 -0.71 0.68 117.51 122.16 1q4o h ILE 476 Ca -0.02 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1q4o h ILE 476 Cb 1.22 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1q4o h ILE 476 CO 0.12 0.16 0.33 0.74 0.00 0.00 0.00 178.15 179.51 1q4o h THR 477 N 0.68 1.24 -0.56 -0.27 2.02 -0.66 0.13 112.91 115.49 1q4o h THR 477 Ca 0.18 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 1q4o h THR 477 Cb 0.00 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1q4o h THR 477 CO -0.03 0.29 -0.06 -0.07 0.37 0.00 0.00 175.52 176.02 1q4o h LEU 478 N 1.06 0.99 -0.40 2.58 3.38 -0.87 0.11 115.31 122.15 1q4o h LEU 478 Ca 0.25 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1q4o h LEU 478 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1q4o h LEU 478 CO -0.03 1.07 0.06 0.25 0.09 0.00 0.00 178.44 179.88 1q4o h LEU 479 N 0.91 0.64 -0.96 1.67 6.46 0.04 0.86 115.31 124.93 1q4o h LEU 479 Ca 0.15 -0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1q4o h LEU 479 Cb 0.60 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1q4o h LEU 479 CO 0.04 0.75 0.64 0.11 -0.62 0.00 0.00 178.44 179.35 1q4o h LYS 480 N 0.51 1.26 -0.02 1.25 1.57 -0.60 0.32 116.57 120.87 1q4o h LYS 480 Ca 0.12 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1q4o h LYS 480 Cb 0.38 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1q4o h LYS 480 CO 0.01 0.84 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.67 1q4o h TYR 481 N 1.30 -0.34 -0.18 -1.35 3.20 -0.46 0.25 116.97 119.38 1q4o h TYR 481 Ca 0.36 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1q4o h TYR 481 Cb -0.14 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1q4o h TYR 481 CO -0.00 -0.20 0.09 0.74 -1.64 0.00 0.00 178.16 177.14 1q4o h PHE 482 N -0.22 0.26 -0.57 -3.82 -1.00 -0.23 0.11 116.94 111.46 1q4o h PHE 482 Ca 0.05 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.85 1q4o h PHE 482 Cb 0.29 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1q4o h PHE 482 CO -0.20 0.28 0.34 -0.09 -1.61 0.00 0.00 178.31 177.03 1q4o h ARG 483 N 0.16 0.65 -0.28 1.51 2.43 -0.09 0.01 114.38 118.77 1q4o h ARG 483 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1q4o h ARG 483 Cb 0.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1q4o h ARG 483 CO -0.01 0.43 0.09 -0.91 -1.51 0.00 0.00 179.97 178.07 1q4o h ASN 484 N 0.67 0.40 -0.81 -3.80 2.35 -0.35 -1.71 115.58 112.32 1q4o h ASN 484 Ca 0.23 -0.19 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1q4o h ASN 484 Cb 0.04 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1q4o h ASN 484 CO -0.11 0.48 0.53 0.22 -1.65 0.00 0.00 177.43 176.90 1q4o h TYR 485 N 0.29 0.90 0.25 1.19 3.20 -0.48 -2.59 116.97 119.73 1q4o h TYR 485 Ca 0.09 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.65 1q4o h TYR 485 Cb 0.22 -0.30 0.04 0.00 1.54 0.00 0.00 36.73 38.23 1q4o h TYR 485 CO 0.00 0.48 -1.47 0.52 -1.64 0.00 0.00 178.16 176.05 1q4o h MET 486 N 0.89 0.53 -0.97 1.82 2.86 -0.56 -1.63 114.93 117.87 1q4o h MET 486 Ca 0.35 -0.90 0.08 0.00 -2.06 0.00 0.00 59.70 57.17 1q4o h MET 486 Cb 0.22 0.34 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 1q4o h MET 486 CO -0.12 1.43 0.62 0.77 1.06 0.00 0.00 176.91 180.66 1q4o h SER 487 N 0.14 0.95 0.33 1.22 0.02 -1.17 -2.97 113.55 112.07 1q4o h SER 487 Ca -0.25 0.03 -0.32 0.00 -0.84 0.00 0.00 61.79 60.41 1q4o h SER 487 Cb 2.16 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 64.48 1q4o h SER 487 CO 0.27 0.57 -1.90 -0.62 -1.14 0.00 0.00 176.83 174.02 1q4o n GLU 488 N -4.57 0.66 0.00 3.45 1.02 -0.99 -4.68 120.64 115.53 1q4o n GLU 488 Ca 0.16 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1q4o n GLU 488 Cb 0.24 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1q4o n GLU 488 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1q4o n HIS 489 N -3.07 0.00 -4.04 -0.32 8.25 -0.62 -5.06 115.22 110.36 1q4o n HIS 489 Ca -0.23 -0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 56.90 1q4o n HIS 489 Cb 1.07 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 32.05 1q4o n HIS 489 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1q4o s LEU 490 N -0.49 2.34 0.00 2.41 1.43 -1.12 -5.00 118.68 118.25 1q4o s LEU 490 Ca 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1q4o s LEU 490 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1q4o s LEU 490 CO 0.00 -0.50 0.00 0.18 0.23 0.00 0.00 176.35 176.26 1q4o n LEU 491 N 0.65 0.00 0.00 1.79 4.77 -1.26 -4.77 117.00 118.18 1q4o n LEU 491 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1q4o n LEU 491 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1q4o n LEU 491 CO 0.25 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 1q4o n LYS 492 N 0.00 0.00 -3.81 3.23 5.02 -1.26 -4.69 118.16 116.65 1q4o n LYS 492 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1q4o n LYS 492 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1q4o n LYS 492 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1q4o s LEU 508 N 0.00 0.71 0.27 -0.35 2.96 -1.26 -4.84 118.68 116.17 1q4o s LEU 508 Ca 0.00 -0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 1q4o s LEU 508 Cb 0.00 -0.50 -0.09 0.00 0.50 0.00 0.00 46.19 46.10 1q4o s LEU 508 CO 0.00 -0.18 0.97 -2.16 -1.32 0.00 0.00 176.35 173.67 1q4o s PRO 509 N 1.89 4.73 0.48 0.98 0.04 -1.26 -5.03 135.00 136.83 1q4o s PRO 509 Ca 0.04 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1q4o s PRO 509 Cb -0.12 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1q4o s PRO 509 CO -0.06 0.38 0.15 1.52 0.04 0.00 0.00 177.00 179.04 1q4o s TYR 510 N -1.29 2.07 -0.55 0.56 -0.85 -1.26 -4.81 117.35 111.23 1q4o s TYR 510 Ca 0.44 -0.80 -0.23 0.00 -0.52 0.00 0.00 57.07 55.96 1q4o s TYR 510 Cb -0.25 -1.80 0.05 0.00 0.38 0.00 0.00 41.96 40.34 1q4o s TYR 510 CO 0.32 0.07 0.89 -1.17 -1.52 0.00 0.00 175.55 174.13 1q4o s LEU 511 N -3.96 4.27 -0.01 -3.49 2.96 -1.26 0.09 118.68 117.27 1q4o s LEU 511 Ca 0.25 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 1q4o s LEU 511 Cb 0.02 -2.74 -0.09 0.00 0.50 0.00 0.00 46.19 43.88 1q4o s LEU 511 CO 0.14 -1.18 0.76 0.03 -1.32 0.00 0.00 176.35 174.79 1q4o h ARG 512 N 9.27 -0.55 -4.04 1.98 2.47 -0.59 -3.47 114.38 119.45 1q4o h ARG 512 Ca -0.26 0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.37 1q4o h ARG 512 Cb 1.08 0.13 -0.16 0.00 -1.65 0.00 0.00 29.97 29.36 1q4o h ARG 512 CO 1.07 -0.37 -0.60 0.95 0.56 0.00 0.00 179.97 181.58 1q4o s THR 513 N -3.51 0.17 0.16 2.04 -4.23 -1.09 -5.03 115.64 104.16 1q4o s THR 513 Ca -0.08 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1q4o s THR 513 Cb 0.01 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1q4o s THR 513 CO 0.25 -0.78 0.20 -1.66 -0.54 0.00 0.00 174.62 172.09 1q4o s TRP 514 N -3.23 0.60 0.27 3.99 1.48 -1.26 -0.79 118.94 120.00 1q4o s TRP 514 Ca 0.00 -0.96 -0.21 0.00 -1.06 0.00 0.00 56.10 53.87 1q4o s TRP 514 Cb 0.03 -0.22 0.03 0.00 -1.16 0.00 0.00 33.47 32.14 1q4o s TRP 514 CO -0.07 -0.65 0.76 -0.59 -4.06 0.00 0.00 176.95 172.33 1q4o s PHE 515 N -4.01 -0.17 0.26 1.66 -0.71 -0.99 -5.02 117.98 109.00 1q4o s PHE 515 Ca 0.21 -0.28 0.10 0.00 -1.04 0.00 0.00 56.93 55.92 1q4o s PHE 515 Cb 0.05 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.52 1q4o s PHE 515 CO 0.02 -1.20 -0.08 1.03 -1.34 0.00 0.00 175.22 173.65 1q4o s ARG 516 N -3.75 2.08 -0.07 1.99 0.52 -1.26 -1.48 118.95 116.97 1q4o s ARG 516 Ca 0.11 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 53.62 1q4o s ARG 516 Cb -0.05 -2.05 0.05 0.00 0.52 0.00 0.00 34.95 33.42 1q4o s ARG 516 CO 0.07 0.37 0.49 0.95 0.02 0.00 0.00 175.30 177.19 1q4o s THR 517 N -2.28 0.02 -1.09 0.02 -4.23 0.35 -4.99 115.64 103.44 1q4o s THR 517 Ca 0.30 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1q4o s THR 517 Cb -0.06 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1q4o s THR 517 CO 0.18 -0.11 0.87 0.54 -0.54 0.00 0.00 174.62 175.56 1q4o n ARG 518 N 1.55 0.00 -0.08 3.99 1.74 -1.26 0.43 116.66 123.04 1q4o n ARG 518 Ca -0.19 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1q4o n ARG 518 Cb 0.56 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1q4o n ARG 518 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q4o n SER 519 N -1.37 1.00 -3.68 0.55 7.64 -1.26 -4.88 113.62 111.61 1q4o n SER 519 Ca 0.00 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 1q4o n SER 519 Cb 0.03 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 1q4o n SER 519 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q4o s ALA 520 N -2.53 -0.87 -0.10 -0.43 0.00 0.17 -0.70 121.76 117.30 1q4o s ALA 520 Ca -0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1q4o s ALA 520 Cb 0.07 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1q4o s ALA 520 CO 0.76 -0.69 -0.01 -1.50 0.00 0.00 0.00 175.76 174.33 1q4o s ILE 521 N -3.83 4.23 -0.13 0.00 2.07 -0.03 -0.49 121.20 123.01 1q4o s ILE 521 Ca 0.06 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 1q4o s ILE 521 Cb 0.01 -2.79 -0.00 0.00 0.13 0.00 0.00 42.46 39.81 1q4o s ILE 521 CO -0.09 0.58 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.70 1q4o s ILE 522 N -0.61 2.43 -0.13 2.00 1.09 -0.55 -0.21 121.20 125.22 1q4o s ILE 522 Ca 0.10 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1q4o s ILE 522 Cb -0.12 -1.98 0.05 0.00 -1.06 0.00 0.00 42.46 39.34 1q4o s ILE 522 CO 0.02 0.54 0.04 -0.76 -0.10 0.00 0.00 174.94 174.68 1q4o s LEU 523 N 0.57 0.67 -0.29 2.97 1.43 0.11 -2.36 118.68 121.79 1q4o s LEU 523 Ca -0.11 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1q4o s LEU 523 Cb -0.16 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.66 1q4o s LEU 523 CO 0.04 -0.28 0.05 -2.28 0.23 0.00 0.00 176.35 174.12 1q4o s HIS 524 N 2.00 3.14 0.42 0.29 2.46 0.03 -0.24 115.29 123.40 1q4o s HIS 524 Ca 0.02 -1.14 -0.02 0.00 0.47 0.00 0.00 55.06 54.39 1q4o s HIS 524 Cb -0.15 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 30.05 1q4o s HIS 524 CO -0.07 -0.62 0.68 -0.51 -2.47 0.00 0.00 174.74 171.75 1q4o s LEU 525 N 1.45 3.79 0.15 8.88 1.43 0.65 0.13 118.68 135.17 1q4o s LEU 525 Ca 0.02 0.68 0.19 0.00 -1.03 0.00 0.00 54.13 53.99 1q4o s LEU 525 Cb -0.17 -3.58 0.82 0.00 0.03 0.00 0.00 46.19 43.29 1q4o s LEU 525 CO 0.01 -0.47 1.60 -1.54 0.23 0.00 0.00 176.35 176.18 1q4o n SER 526 N -2.05 0.39 -0.71 2.29 3.41 0.11 -1.61 113.62 115.47 1q4o n SER 526 Ca -0.02 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1q4o n SER 526 Cb 0.56 -0.68 0.34 0.00 -0.26 0.00 0.00 64.21 64.17 1q4o n SER 526 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1q4o n ASN 527 N -1.94 2.15 0.00 4.04 6.94 -1.26 -4.86 115.26 120.33 1q4o n ASN 527 Ca 0.02 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 1q4o n ASN 527 Cb 0.19 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1q4o n ASN 527 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q4o n GLY 528 N 1.24 1.55 3.76 4.83 0.00 -0.63 -4.37 105.19 111.58 1q4o n GLY 528 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1q4o n GLY 528 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q4o s SER 529 N -1.63 6.63 0.04 1.61 0.01 -1.24 -4.58 113.70 114.54 1q4o s SER 529 Ca 0.00 2.77 0.09 0.00 1.31 0.00 0.00 55.95 60.12 1q4o s SER 529 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1q4o s SER 529 CO 0.00 -0.67 -0.26 0.68 0.41 0.00 0.00 173.24 173.39 1q4o s VAL 530 N -0.74 2.12 -0.09 3.43 -7.23 -0.58 -0.25 120.40 117.06 1q4o s VAL 530 Ca 0.54 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1q4o s VAL 530 Cb -0.42 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1q4o s VAL 530 CO 0.52 0.38 -0.09 -1.58 -0.31 0.00 0.00 175.10 174.02 1q4o s GLN 531 N -1.18 1.50 -0.21 4.82 0.74 0.67 0.22 119.66 126.23 1q4o s GLN 531 Ca 0.11 -0.28 -0.03 0.00 0.05 0.00 0.00 55.36 55.21 1q4o s GLN 531 Cb -0.10 -1.44 -0.00 0.00 1.10 0.00 0.00 33.01 32.56 1q4o s GLN 531 CO 0.02 -0.15 -0.08 0.42 -0.55 0.00 0.00 175.29 174.95 1q4o s ILE 532 N 1.29 3.11 -0.19 -2.34 1.01 -0.51 0.05 121.20 123.62 1q4o s ILE 532 Ca -0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1q4o s ILE 532 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1q4o s ILE 532 CO -0.03 0.45 0.06 0.20 0.00 0.00 0.00 174.94 175.62 1q4o s ASN 533 N 1.35 5.57 -0.18 3.58 0.02 0.71 -1.14 114.94 124.85 1q4o s ASN 533 Ca 0.04 0.04 -0.10 0.00 -1.02 0.00 0.00 52.86 51.83 1q4o s ASN 533 Cb -0.14 -1.96 -0.05 0.00 0.02 0.00 0.00 41.25 39.12 1q4o s ASN 533 CO -0.04 0.15 0.15 -0.36 0.02 0.00 0.00 177.10 177.02 1q4o s PHE 534 N 0.53 3.45 -0.00 2.20 0.40 0.27 -0.85 117.98 123.97 1q4o s PHE 534 Ca 0.03 0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 56.51 1q4o s PHE 534 Cb -0.13 -2.15 -0.18 0.00 0.51 0.00 0.00 43.02 41.08 1q4o s PHE 534 CO 0.01 0.35 1.23 0.74 0.70 0.00 0.00 175.22 178.26 1q4o h PHE 535 N 6.40 -0.21 0.00 0.36 0.05 -1.23 0.39 116.94 122.70 1q4o h PHE 535 Ca -0.43 -0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.31 1q4o h PHE 535 Cb 1.16 0.07 -0.01 0.00 2.00 0.00 0.00 35.95 39.18 1q4o h PHE 535 CO 0.61 0.16 -0.20 1.96 -0.18 0.00 0.00 178.31 180.66 1q4o h GLN 536 N -0.63 0.00 0.00 1.51 1.08 -1.92 -3.18 115.11 111.97 1q4o h GLN 536 Ca -0.02 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.84 1q4o h GLN 536 Cb 0.47 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1q4o h GLN 536 CO 0.04 0.20 -2.19 -0.25 -0.95 0.00 0.00 178.83 175.68 1q4o n ASP 537 N -3.96 1.95 -0.63 1.46 8.00 -1.24 -4.99 116.55 117.15 1q4o n ASP 537 Ca -0.02 0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.49 1q4o n ASP 537 Cb 0.29 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1q4o n ASP 537 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1q4o n HIS 538 N -3.56 0.00 -2.49 1.24 8.25 0.12 -4.81 115.22 113.98 1q4o n HIS 538 Ca -0.40 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.73 1q4o n HIS 538 Cb 0.84 -1.72 -0.04 0.00 1.12 0.00 0.00 29.99 30.20 1q4o n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1q4o s THR 539 N -2.24 4.19 0.00 1.59 -4.23 -1.24 -4.84 115.64 108.87 1q4o s THR 539 Ca 0.00 1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.68 1q4o s THR 539 Cb 0.00 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1q4o s THR 539 CO 0.00 -0.45 0.06 -0.54 -0.54 0.00 0.00 174.62 173.15 1q4o s LYS 540 N -3.63 0.35 -0.05 3.99 1.02 -1.01 -0.56 119.74 119.86 1q4o s LYS 540 Ca 0.63 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.23 1q4o s LYS 540 Cb -0.12 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1q4o s LYS 540 CO 0.25 -0.07 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.31 1q4o s LEU 541 N -1.20 1.74 -0.32 3.17 2.96 -0.29 -1.23 118.68 123.52 1q4o s LEU 541 Ca -0.13 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1q4o s LEU 541 Cb -0.08 -0.77 0.08 0.00 0.50 0.00 0.00 46.19 45.92 1q4o s LEU 541 CO 0.00 0.07 0.01 -0.63 -1.32 0.00 0.00 176.35 174.49 1q4o s ILE 542 N 0.38 2.57 -0.10 6.68 1.01 0.16 -1.43 121.20 130.48 1q4o s ILE 542 Ca -0.09 -1.86 -0.20 0.00 0.00 0.00 0.00 60.65 58.50 1q4o s ILE 542 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1q4o s ILE 542 CO 0.02 -0.32 0.58 -0.76 0.00 0.00 0.00 174.94 174.46 1q4o s LEU 543 N 1.08 4.29 -0.40 2.97 1.43 0.13 -0.75 118.68 127.44 1q4o s LEU 543 Ca 0.01 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1q4o s LEU 543 Cb -0.20 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.27 1q4o s LEU 543 CO -0.05 -0.06 0.18 0.00 0.23 0.00 0.00 176.35 176.65 1q4o h PRO 545 N 7.20 0.00 -0.37 0.00 0.13 -1.82 -1.96 132.00 135.18 1q4o h PRO 545 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1q4o h PRO 545 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1q4o h PRO 545 CO 0.49 0.20 0.05 -0.07 -0.23 0.00 0.00 178.00 178.44 1q4o h LEU 546 N 0.00 0.52 -3.13 1.56 -0.00 -1.92 -2.78 115.31 109.57 1q4o h LEU 546 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1q4o h LEU 546 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1q4o h LEU 546 CO 0.03 0.56 0.00 0.23 -0.00 0.00 0.00 178.44 179.26 1q4o n MET 547 N -4.30 2.89 -4.01 1.13 2.81 -1.10 -4.99 117.12 109.55 1q4o n MET 547 Ca 0.02 -2.56 -0.44 0.00 -1.81 0.00 0.00 57.70 52.91 1q4o n MET 547 Cb 0.22 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.12 1q4o n MET 547 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q4o n ALA 548 N -0.18 -2.60 -2.30 3.04 0.00 -0.80 -4.80 120.51 112.87 1q4o n ALA 548 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 1q4o n ALA 548 Cb 0.72 -2.88 -0.10 0.00 0.00 0.00 0.00 19.45 17.19 1q4o n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q4o s ALA 549 N -3.53 0.78 -0.03 0.00 0.00 -0.84 -1.04 121.76 117.10 1q4o s ALA 549 Ca 0.49 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1q4o s ALA 549 Cb -0.25 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1q4o s ALA 549 CO 0.95 -0.22 0.05 0.54 0.00 0.00 0.00 175.76 177.08 1q4o s VAL 550 N -3.22 -0.04 -0.18 0.00 0.11 -0.02 -1.25 120.40 115.79 1q4o s VAL 550 Ca 0.06 0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1q4o s VAL 550 Cb 0.03 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.73 1q4o s VAL 550 CO -0.05 0.06 0.15 -0.89 -3.33 0.00 0.00 175.10 171.04 1q4o s THR 551 N 0.81 5.41 -0.11 5.04 2.01 0.07 0.71 115.64 129.59 1q4o s THR 551 Ca -0.07 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1q4o s THR 551 Cb -0.09 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 1q4o s THR 551 CO -0.03 0.46 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.68 1q4o s TYR 552 N 0.16 2.61 -0.40 4.92 5.04 -0.03 -0.67 117.35 128.98 1q4o s TYR 552 Ca 0.10 -0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 53.64 1q4o s TYR 552 Cb -0.11 -1.74 0.06 0.00 0.35 0.00 0.00 41.96 40.52 1q4o s TYR 552 CO -0.01 -0.39 0.24 0.42 -1.34 0.00 0.00 175.55 174.47 1q4o s ILE 553 N 0.36 4.29 1.07 3.14 1.01 -0.36 -2.18 121.20 128.52 1q4o s ILE 553 Ca -0.17 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.05 1q4o s ILE 553 Cb -0.18 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.79 1q4o s ILE 553 CO 0.08 -0.42 -0.13 0.47 0.00 0.00 0.00 174.94 174.95 1q4o n ASP 554 N 4.93 -2.55 -0.34 3.58 8.00 -0.82 -2.40 116.55 126.95 1q4o n ASP 554 Ca -0.11 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1q4o n ASP 554 Cb 0.44 -0.95 0.14 0.00 -0.02 0.00 0.00 41.12 40.72 1q4o n ASP 554 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1q4o h GLU 555 N -1.80 1.11 -0.19 -1.24 5.08 -1.90 -2.28 114.58 113.37 1q4o h GLU 555 Ca -0.50 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1q4o h GLU 555 Cb 1.35 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1q4o h GLU 555 CO 0.35 0.74 0.00 1.63 -1.00 0.00 0.00 179.01 180.72 1q4o n LYS 556 N -4.51 0.62 -1.04 2.33 5.02 -1.26 -4.84 118.16 114.47 1q4o n LYS 556 Ca 0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1q4o n LYS 556 Cb 0.12 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1q4o n LYS 556 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q4o n ARG 557 N -0.29 -1.64 -1.77 1.97 5.12 -0.86 -4.97 116.66 114.22 1q4o n ARG 557 Ca 0.00 0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 55.98 1q4o n ARG 557 Cb 0.05 -4.74 -0.03 0.00 -1.16 0.00 0.00 32.46 26.58 1q4o n ARG 557 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1q4o s ASP 558 N -2.07 6.44 -0.39 0.55 1.01 -1.26 -4.76 116.67 116.19 1q4o s ASP 558 Ca 0.00 2.77 -0.11 0.00 0.71 0.00 0.00 52.55 55.91 1q4o s ASP 558 Cb 0.00 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.38 1q4o s ASP 558 CO 0.00 -0.95 0.23 0.12 0.21 0.00 0.00 175.17 174.78 1q4o s PHE 559 N 1.75 3.25 -0.05 4.23 5.36 -1.26 -1.94 117.98 129.33 1q4o s PHE 559 Ca 0.76 -1.00 0.02 0.00 -0.96 0.00 0.00 56.93 55.74 1q4o s PHE 559 Cb -0.47 -2.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 1q4o s PHE 559 CO 0.33 -0.68 -0.08 1.03 -1.46 0.00 0.00 175.22 174.37 1q4o s ARG 560 N 1.55 1.11 -0.14 10.12 1.81 -0.93 -5.02 118.95 127.45 1q4o s ARG 560 Ca 0.02 -0.24 -0.03 0.00 -1.72 0.00 0.00 55.73 53.76 1q4o s ARG 560 Cb -0.20 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.26 1q4o s ARG 560 CO 0.06 -0.01 -0.03 0.99 -0.68 0.00 0.00 175.30 175.64 1q4o s THR 561 N 0.69 4.02 0.08 0.02 2.01 -1.26 -0.85 115.64 120.34 1q4o s THR 561 Ca -0.11 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.66 1q4o s THR 561 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1q4o s THR 561 CO 0.01 0.51 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.91 1q4o s TYR 562 N 0.12 2.08 -0.17 4.92 1.51 0.22 -1.82 117.35 124.22 1q4o s TYR 562 Ca -0.00 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.43 1q4o s TYR 562 Cb -0.13 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1q4o s TYR 562 CO 0.02 0.19 0.72 0.50 -1.11 0.00 0.00 175.55 175.87 1q4o s ARG 563 N -1.57 4.28 0.23 -0.62 3.52 -0.70 -0.84 118.95 123.25 1q4o s ARG 563 Ca 0.10 0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 56.46 1q4o s ARG 563 Cb -0.10 -3.56 0.36 0.00 -1.56 0.00 0.00 34.95 30.10 1q4o s ARG 563 CO 0.03 -0.23 1.78 -0.07 -0.81 0.00 0.00 175.30 176.01 1q4o h LEU 564 N 8.05 0.51 -0.78 -0.88 3.38 -1.40 -0.50 115.31 123.69 1q4o h LEU 564 Ca -0.32 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1q4o h LEU 564 Cb 1.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1q4o h LEU 564 CO 0.80 0.29 0.06 0.77 0.09 0.00 0.00 178.44 180.45 1q4o h SER 565 N 0.65 0.95 -0.33 -0.43 4.64 -1.94 -1.25 113.55 115.84 1q4o h SER 565 Ca 0.37 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1q4o h SER 565 Cb 0.39 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1q4o h SER 565 CO -0.27 0.97 0.13 -0.07 -0.87 0.00 0.00 176.83 176.72 1q4o h LEU 566 N 0.92 0.51 -0.60 5.97 3.38 -1.69 -1.96 115.31 121.84 1q4o h LEU 566 Ca 0.18 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1q4o h LEU 566 Cb 0.45 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1q4o h LEU 566 CO 0.02 0.48 0.38 -0.07 0.09 0.00 0.00 178.44 179.34 1q4o h LEU 567 N 0.55 0.62 -0.62 1.67 3.38 -0.03 -0.53 115.31 120.35 1q4o h LEU 567 Ca 0.13 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1q4o h LEU 567 Cb 0.15 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1q4o h LEU 567 CO -0.01 0.44 0.23 -0.33 0.09 0.00 0.00 178.44 178.86 1q4o h GLU 568 N 0.75 0.39 -0.02 1.13 5.08 -0.55 0.16 114.58 121.52 1q4o h GLU 568 Ca 0.24 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1q4o h GLU 568 Cb -0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1q4o h GLU 568 CO -0.09 0.26 -0.02 0.93 -1.00 0.00 0.00 179.01 179.09 1q4o h GLU 569 N 0.40 0.05 0.00 2.33 5.08 -1.09 -3.38 114.58 117.97 1q4o h GLU 569 Ca 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1q4o h GLU 569 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1q4o h GLU 569 CO -0.33 0.53 -1.62 0.66 -1.00 0.00 0.00 179.01 177.25 1q4o n TYR 570 N -4.81 0.01 -0.45 4.33 4.02 -0.23 -5.02 117.16 115.01 1q4o n TYR 570 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1q4o n TYR 570 Cb 0.27 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1q4o n TYR 570 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q4o n GLY 571 N 1.35 -2.42 3.08 2.72 0.00 0.56 -1.10 105.19 109.37 1q4o n GLY 571 Ca -0.01 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 1q4o n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q4o h LYS 574 N -0.13 0.52 0.52 0.00 1.57 -1.96 -2.10 116.57 114.98 1q4o h LYS 574 Ca -0.44 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1q4o h LYS 574 Cb 1.19 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1q4o h LYS 574 CO 0.62 0.34 -0.25 0.93 -0.57 0.00 0.00 179.45 180.52 1q4o h GLU 575 N 0.53 -0.67 0.26 3.15 3.07 -1.98 0.32 114.58 119.26 1q4o h GLU 575 Ca 0.45 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.35 1q4o h GLU 575 Cb 0.94 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1q4o h GLU 575 CO -0.19 -0.40 -0.12 1.25 -1.40 0.00 0.00 179.01 178.15 1q4o h LEU 576 N -0.80 -0.29 -0.39 1.33 5.85 -1.88 -0.79 115.31 118.33 1q4o h LEU 576 Ca -0.07 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1q4o h LEU 576 Cb 0.58 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1q4o h LEU 576 CO 0.12 -0.19 -0.13 0.00 -0.34 0.00 0.00 178.44 177.90 1q4o h ALA 577 N 0.37 0.20 -0.66 1.25 0.00 -1.30 -0.32 119.26 118.80 1q4o h ALA 577 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1q4o h ALA 577 Cb 0.29 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1q4o h ALA 577 CO 0.06 -0.49 0.31 0.66 0.00 0.00 0.00 179.25 179.80 1q4o h SER 578 N -0.04 0.85 -0.08 0.00 4.64 -0.20 -1.92 113.55 116.80 1q4o h SER 578 Ca 0.19 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1q4o h SER 578 Cb 0.33 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1q4o h SER 578 CO -0.42 0.72 -0.10 0.03 -0.87 0.00 0.00 176.83 176.19 1q4o h ARG 579 N 0.94 0.38 0.00 4.77 2.47 0.39 -2.13 114.38 121.19 1q4o h ARG 579 Ca 0.23 -0.09 -0.12 0.00 -1.26 0.00 0.00 59.98 58.74 1q4o h ARG 579 Cb 0.10 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1q4o h ARG 579 CO -0.03 0.48 -0.56 -0.07 0.56 0.00 0.00 179.97 180.35 1q4o h LEU 580 N 0.36 0.00 0.26 3.04 3.38 -0.38 0.17 115.31 122.13 1q4o h LEU 580 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1q4o h LEU 580 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1q4o h LEU 580 CO 0.02 0.56 -0.13 0.03 0.09 0.00 0.00 178.44 179.02 1q4o h ARG 581 N 0.00 -0.34 -0.98 1.13 3.08 -1.12 -1.62 114.38 114.53 1q4o h ARG 581 Ca -0.01 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1q4o h ARG 581 Cb 1.11 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 1q4o h ARG 581 CO 0.07 -0.08 0.63 -0.92 -1.07 0.00 0.00 179.97 178.60 1q4o h TYR 582 N -0.57 1.16 -0.67 3.04 3.20 -1.24 -2.41 116.97 119.49 1q4o h TYR 582 Ca -0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1q4o h TYR 582 Cb 0.42 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1q4o h TYR 582 CO -0.00 0.58 0.25 0.00 -1.64 0.00 0.00 178.16 177.35 1q4o h ALA 583 N 1.46 1.19 -0.35 1.82 0.00 -0.71 -0.67 119.26 122.00 1q4o h ALA 583 Ca 0.43 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1q4o h ALA 583 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1q4o h ALA 583 CO -0.19 0.58 -0.01 -0.09 0.00 0.00 0.00 179.25 179.54 1q4o h ARG 584 N 0.96 0.63 -0.66 0.00 2.43 -0.79 0.37 114.38 117.33 1q4o h ARG 584 Ca 0.22 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1q4o h ARG 584 Cb 0.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1q4o h ARG 584 CO -0.02 0.75 0.43 1.79 -1.51 0.00 0.00 179.97 181.42 1q4o h THR 585 N 0.44 1.14 -0.54 0.20 1.35 -1.23 -1.55 112.91 112.72 1q4o h THR 585 Ca 0.10 -0.29 -0.08 0.00 -0.55 0.00 0.00 66.41 65.59 1q4o h THR 585 Cb 0.48 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 1q4o h THR 585 CO 0.02 0.15 0.02 0.24 -0.25 0.00 0.00 175.52 175.71 1q4o h MET 586 N 0.85 0.91 -0.03 4.72 2.86 -0.43 -1.88 114.93 121.92 1q4o h MET 586 Ca 0.25 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1q4o h MET 586 Cb -0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1q4o h MET 586 CO -0.06 0.89 -0.64 -0.24 1.06 0.00 0.00 176.91 177.92 1q4o h VAL 587 N 0.84 1.42 -0.17 -2.22 3.04 -0.03 -1.78 116.25 117.36 1q4o h VAL 587 Ca 0.16 -2.10 0.04 0.00 -1.01 0.00 0.00 66.70 63.79 1q4o h VAL 587 Cb 0.47 2.11 -0.04 0.00 -2.01 0.00 0.00 31.29 31.82 1q4o h VAL 587 CO 0.02 0.61 -0.06 0.44 -1.01 0.00 0.00 177.57 177.57 1q4o h ASP 588 N 0.10 -0.21 -0.83 3.17 3.32 -1.00 0.96 116.42 121.92 1q4o h ASP 588 Ca -0.01 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1q4o h ASP 588 Cb 1.14 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1q4o h ASP 588 CO 0.09 -0.08 0.55 0.11 -1.72 0.00 0.00 179.24 178.19 1q4o h LYS 589 N -0.03 1.06 -0.26 3.56 1.57 -1.03 0.17 116.57 121.61 1q4o h LYS 589 Ca 0.09 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1q4o h LYS 589 Cb 0.16 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1q4o h LYS 589 CO -0.20 0.70 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.90 1q4o h LEU 590 N 1.09 0.68 -1.11 2.94 3.38 -1.02 -2.97 115.31 118.29 1q4o h LEU 590 Ca 0.31 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1q4o h LEU 590 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1q4o h LEU 590 CO -0.08 1.01 -0.38 -0.07 0.09 0.00 0.00 178.44 179.01 1q4o h LEU 591 N 0.52 0.00 -0.59 1.67 3.38 0.44 -3.33 115.31 117.40 1q4o h LEU 591 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1q4o h LEU 591 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1q4o h LEU 591 CO 0.08 0.38 -0.18 0.77 0.09 0.00 0.00 178.44 179.59 1q4o h SER 592 N 0.00 0.95 0.00 -0.43 4.64 -0.55 -3.51 113.55 114.65 1q4o h SER 592 Ca -0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1q4o h SER 592 Cb 0.80 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1q4o h SER 592 CO 0.05 1.10 0.00 -1.20 -0.87 0.00 0.00 176.83 175.91