#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqe s TYR 364 N 0.00 3.29 0.24 1.45 2.02 -1.26 0.21 117.35 123.30 3fqe s TYR 364 Ca 0.00 0.58 0.04 0.00 -0.37 0.00 0.00 57.07 57.32 3fqe s TYR 364 Cb 0.00 -2.64 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 3fqe s TYR 364 CO 0.00 -0.20 0.38 -0.51 -1.57 0.00 0.00 175.55 173.65 3fqe s LEU 365 N 2.01 4.27 -0.41 -1.29 1.43 0.09 -4.92 118.68 119.86 3fqe s LEU 365 Ca 0.19 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 3fqe s LEU 365 Cb -0.15 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.13 3fqe s LEU 365 CO 0.09 -0.09 0.46 -0.62 0.23 0.00 0.00 176.35 176.42 3fqe s ASP 366 N -3.84 6.22 0.41 2.29 -1.08 -1.26 -4.76 116.67 114.64 3fqe s ASP 366 Ca 0.35 -0.52 0.21 0.00 -0.52 0.00 0.00 52.55 52.06 3fqe s ASP 366 Cb -0.09 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.29 3fqe s ASP 366 CO 0.30 -0.57 1.75 -0.09 0.52 0.00 0.00 175.17 177.09 3fqe h ARG 367 N 8.69 0.33 -0.67 4.34 9.65 -1.95 0.03 114.38 134.80 3fqe h ARG 367 Ca -0.27 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3fqe h ARG 367 Cb 1.11 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 3fqe h ARG 367 CO 0.79 0.22 0.43 1.57 2.80 0.00 0.00 179.97 185.78 3fqe h LYS 368 N 0.34 0.89 0.00 0.20 2.10 -2.03 -1.85 116.57 116.22 3fqe h LYS 368 Ca 0.62 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3fqe h LYS 368 Cb 1.66 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 3fqe h LYS 368 CO -0.30 0.61 0.00 1.28 -2.00 0.00 0.00 179.45 179.04 3fqe n LEU 369 N -4.42 0.00 -4.42 7.07 4.77 -0.00 -4.77 117.00 115.22 3fqe n LEU 369 Ca 0.07 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 3fqe n LEU 369 Cb 0.05 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3fqe n LEU 369 CO 0.36 -0.01 -0.35 -0.22 -1.33 0.00 0.00 177.39 175.85 3fqe s LEU 370 N -2.09 3.16 -0.38 2.23 2.96 -0.70 -2.24 118.68 121.62 3fqe s LEU 370 Ca 0.38 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3fqe s LEU 370 Cb 0.18 -1.79 0.11 0.00 0.50 0.00 0.00 46.19 45.19 3fqe s LEU 370 CO 0.33 0.07 0.15 -0.89 -1.32 0.00 0.00 176.35 174.68 3fqe s THR 371 N 0.98 2.98 0.61 3.68 2.01 -0.58 -4.98 115.64 120.34 3fqe s THR 371 Ca 0.01 -2.12 -0.15 0.00 0.31 0.00 0.00 61.69 59.74 3fqe s THR 371 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3fqe s THR 371 CO 0.01 -0.65 1.05 -0.76 -0.69 0.00 0.00 174.62 173.59 3fqe s LEU 372 N 1.07 3.42 0.17 4.42 1.43 -1.26 -2.24 118.68 125.69 3fqe s LEU 372 Ca 0.09 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 3fqe s LEU 372 Cb -0.22 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 3fqe s LEU 372 CO -0.05 -1.18 0.04 -1.61 0.23 0.00 0.00 176.35 173.78 3fqe s GLU 373 N -4.31 2.57 0.00 1.70 2.02 -0.87 -4.98 118.70 114.84 3fqe s GLU 373 Ca 0.62 -1.02 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 3fqe s GLU 373 Cb -0.15 -2.46 -0.13 0.00 0.10 0.00 0.00 34.13 31.49 3fqe s GLU 373 CO 0.41 0.47 0.99 -0.44 0.02 0.00 0.00 175.26 176.70 3fqe h ASP 374 N 2.64 -0.70 -1.90 -0.19 5.19 -1.98 -3.44 116.42 116.03 3fqe h ASP 374 Ca -0.47 0.02 -0.65 0.00 -0.62 0.00 0.00 57.03 55.31 3fqe h ASP 374 Cb 1.20 0.18 0.08 0.00 0.18 0.00 0.00 39.33 40.97 3fqe h ASP 374 CO 0.60 -0.33 0.21 2.29 -3.12 0.00 0.00 179.24 178.89 3fqe n LYS 375 N -5.18 1.08 -3.67 3.56 2.85 -1.26 -4.98 118.16 110.56 3fqe n LYS 375 Ca -0.10 0.38 -0.36 0.00 -1.05 0.00 0.00 58.31 57.18 3fqe n LYS 375 Cb 0.33 -1.85 -0.07 0.00 -0.65 0.00 0.00 35.03 32.79 3fqe n LYS 375 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3fqe s GLU 376 N -0.48 4.08 0.05 -1.58 -1.05 -1.26 -4.49 118.70 113.97 3fqe s GLU 376 Ca 0.72 -0.06 0.12 0.00 -0.15 0.00 0.00 54.97 55.60 3fqe s GLU 376 Cb -0.86 -3.38 -0.18 0.00 -0.44 0.00 0.00 34.13 29.28 3fqe s GLU 376 CO 0.53 0.37 0.92 -0.07 0.95 0.00 0.00 175.26 177.97 3fqe h LEU 377 N 6.30 0.00 -7.97 1.83 3.38 -1.24 -3.49 115.31 114.13 3fqe h LEU 377 Ca -0.44 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3fqe h LEU 377 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3fqe h LEU 377 CO 0.72 0.86 0.34 -0.83 0.09 0.00 0.00 178.44 179.62 3fqe s GLY 378 N -4.88 0.21 -0.05 0.83 0.00 -1.17 -5.03 107.32 97.23 3fqe s GLY 378 Ca -0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 3fqe s GLY 378 CO 0.81 0.28 0.32 -0.45 0.00 0.00 0.00 173.10 174.07 3fqe s SER 379 N -3.11 -0.24 0.14 1.64 0.15 -1.26 -2.32 113.70 108.71 3fqe s SER 379 Ca 0.16 0.25 0.02 0.00 0.70 0.00 0.00 55.95 57.08 3fqe s SER 379 Cb -0.05 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 3fqe s SER 379 CO 0.09 -0.35 0.14 0.61 1.20 0.00 0.00 173.24 174.92 3fqe n GLY 380 N 1.73 3.35 0.27 9.45 0.00 -0.96 -5.00 105.19 114.04 3fqe n GLY 380 Ca -0.19 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 3fqe n GLY 380 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fqe h ASN 381 N 0.84 0.58 -0.29 1.61 -1.24 -2.02 -3.02 115.58 112.04 3fqe h ASN 381 Ca -0.10 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 56.78 3fqe h ASN 381 Cb 0.50 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3fqe h ASN 381 CO 0.14 0.69 0.19 2.19 -1.29 0.00 0.00 177.43 179.35 3fqe h PHE 382 N 0.56 0.33 0.00 0.67 -5.15 -1.96 -3.46 116.94 107.93 3fqe h PHE 382 Ca 0.11 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.89 3fqe h PHE 382 Cb 0.45 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 36.51 3fqe h PHE 382 CO 0.02 0.21 0.00 0.41 -2.00 0.00 0.00 178.31 176.95 3fqe n GLY 383 N -1.50 0.24 3.39 6.09 0.00 -1.14 -0.72 105.19 111.55 3fqe n GLY 383 Ca 0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 3fqe n GLY 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fqe s THR 384 N 0.00 1.93 -0.20 2.61 -4.23 -0.45 -2.26 115.64 113.03 3fqe s THR 384 Ca 0.00 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.23 3fqe s THR 384 Cb 0.00 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 3fqe s THR 384 CO 0.00 -0.51 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.79 3fqe s VAL 385 N -2.85 2.98 0.14 2.29 1.01 -0.98 -0.88 120.40 122.11 3fqe s VAL 385 Ca 0.25 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.69 3fqe s VAL 385 Cb -0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3fqe s VAL 385 CO 0.10 0.46 -0.19 -0.54 0.00 0.00 0.00 175.10 174.93 3fqe s LYS 386 N 1.36 1.21 0.24 2.72 1.02 -0.82 -0.61 119.74 124.87 3fqe s LYS 386 Ca 0.05 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.56 3fqe s LYS 386 Cb -0.14 -1.34 -0.08 0.00 -0.52 0.00 0.00 37.83 35.75 3fqe s LYS 386 CO -0.06 0.29 0.67 0.21 -0.92 0.00 0.00 175.35 175.54 3fqe s LYS 387 N -2.49 4.07 0.13 1.68 2.20 -1.26 -0.63 119.74 123.44 3fqe s LYS 387 Ca 0.12 0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 56.35 3fqe s LYS 387 Cb -0.07 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3fqe s LYS 387 CO 0.06 0.33 0.25 0.41 -0.36 0.00 0.00 175.35 176.04 3fqe n GLY 388 N 0.29 1.70 2.96 5.54 0.00 -0.08 -2.04 105.19 113.57 3fqe n GLY 388 Ca -0.01 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 3fqe n GLY 388 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fqe s TYR 389 N -6.70 0.46 -0.13 1.61 1.51 -0.95 -0.29 117.35 112.85 3fqe s TYR 389 Ca 0.05 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 3fqe s TYR 389 Cb -0.02 -0.29 0.02 0.00 -0.11 0.00 0.00 41.96 41.57 3fqe s TYR 389 CO 0.04 -0.02 -0.11 -0.47 -1.11 0.00 0.00 175.55 173.88 3fqe s TYR 390 N -0.27 1.86 -0.75 2.71 5.04 0.16 -1.52 117.35 124.59 3fqe s TYR 390 Ca 0.00 -1.00 -0.26 0.00 -2.44 0.00 0.00 57.07 53.38 3fqe s TYR 390 Cb -0.03 -1.43 -0.07 0.00 0.35 0.00 0.00 41.96 40.78 3fqe s TYR 390 CO -0.00 -0.59 2.15 -1.14 -1.34 0.00 0.00 175.55 174.63 3fqe s GLN 391 N 1.56 2.19 0.02 4.97 2.00 -0.95 -1.44 119.66 128.01 3fqe s GLN 391 Ca 0.04 0.39 -0.00 0.00 -2.00 0.00 0.00 55.36 53.79 3fqe s GLN 391 Cb -0.13 -4.78 0.01 0.00 0.80 0.00 0.00 33.01 28.91 3fqe s GLN 391 CO -0.09 -3.59 0.02 -1.33 -0.50 0.00 0.00 175.29 169.79 3fqe n MET 392 N 8.93 -1.19 -0.28 1.67 2.81 -0.72 -4.91 117.12 123.43 3fqe n MET 392 Ca 0.38 -0.03 0.17 0.00 -1.81 0.00 0.00 57.70 56.41 3fqe n MET 392 Cb 0.48 -0.03 0.44 0.00 -0.71 0.00 0.00 33.22 33.40 3fqe n MET 392 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3fqe h LYS 393 N 0.00 0.53 0.00 0.03 1.79 -2.02 -3.39 116.57 113.51 3fqe h LYS 393 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3fqe h LYS 393 Cb 0.02 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3fqe h LYS 393 CO 0.00 0.35 0.00 1.17 -1.08 0.00 0.00 179.45 179.89 3fqe n LYS 394 N -4.58 0.00 -2.60 3.15 4.81 -1.26 -5.11 118.16 112.57 3fqe n LYS 394 Ca 0.20 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.33 3fqe n LYS 394 Cb 0.64 -0.34 -0.03 0.00 0.02 0.00 0.00 35.03 35.32 3fqe n LYS 394 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3fqe s VAL 395 N -1.00 4.65 0.03 3.15 -7.23 -1.26 -5.08 120.40 113.66 3fqe s VAL 395 Ca 0.00 0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 60.93 3fqe s VAL 395 Cb 0.00 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 3fqe s VAL 395 CO 0.00 -0.62 0.55 -0.69 -0.31 0.00 0.00 175.10 174.04 3fqe s VAL 396 N -2.52 4.85 -0.11 1.32 1.01 -1.26 -1.76 120.40 121.93 3fqe s VAL 396 Ca 0.55 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.72 3fqe s VAL 396 Cb -0.10 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3fqe s VAL 396 CO 0.32 0.50 -0.18 -0.75 0.00 0.00 0.00 175.10 174.99 3fqe s LYS 397 N -0.72 3.18 0.18 2.72 2.20 -0.52 -4.92 119.74 121.86 3fqe s LYS 397 Ca 0.29 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3fqe s LYS 397 Cb -0.19 -2.47 -0.08 0.00 -1.51 0.00 0.00 37.83 33.59 3fqe s LYS 397 CO 0.17 0.22 1.12 0.99 -0.36 0.00 0.00 175.35 177.50 3fqe s THR 398 N 0.28 3.80 0.09 3.43 2.01 -1.26 -0.66 115.64 123.33 3fqe s THR 398 Ca -0.13 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.43 3fqe s THR 398 Cb -0.16 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 3fqe s THR 398 CO 0.07 0.26 -0.07 0.68 -0.69 0.00 0.00 174.62 174.86 3fqe s VAL 399 N -0.17 0.68 -0.09 3.82 -7.23 0.60 -2.86 120.40 115.16 3fqe s VAL 399 Ca 0.50 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3fqe s VAL 399 Cb -0.30 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3fqe s VAL 399 CO 0.35 -0.76 -0.07 0.00 -0.31 0.00 0.00 175.10 174.32 3fqe s ALA 400 N -3.10 2.95 -0.11 1.32 0.00 -0.11 -0.90 121.76 121.81 3fqe s ALA 400 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3fqe s ALA 400 Cb 0.02 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.86 3fqe s ALA 400 CO -0.03 0.48 -0.20 0.08 0.00 0.00 0.00 175.76 176.09 3fqe s VAL 401 N -0.51 1.84 -0.20 0.00 1.01 0.20 -1.02 120.40 121.72 3fqe s VAL 401 Ca 0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3fqe s VAL 401 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3fqe s VAL 401 CO 0.02 0.51 0.68 -0.54 0.00 0.00 0.00 175.10 175.77 3fqe s LYS 402 N 0.66 4.21 -0.23 2.72 1.02 0.31 -1.95 119.74 126.48 3fqe s LYS 402 Ca -0.12 0.71 0.02 0.00 0.02 0.00 0.00 55.97 56.59 3fqe s LYS 402 Cb -0.16 -3.59 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 3fqe s LYS 402 CO 0.03 -0.30 -0.14 0.42 -0.92 0.00 0.00 175.35 174.43 3fqe s ILE 403 N 2.11 2.16 0.67 2.17 1.01 -0.06 -1.16 121.20 128.10 3fqe s ILE 403 Ca 0.31 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 3fqe s ILE 403 Cb -0.16 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3fqe s ILE 403 CO 0.10 0.21 1.25 -0.76 0.00 0.00 0.00 174.94 175.74 3fqe s LEU 404 N 1.18 3.50 -0.14 2.97 1.43 -1.09 -1.35 118.68 125.20 3fqe s LEU 404 Ca -0.03 2.49 0.16 0.00 -1.03 0.00 0.00 54.13 55.73 3fqe s LEU 404 Cb -0.17 -4.61 -0.24 0.00 0.03 0.00 0.00 46.19 41.20 3fqe s LEU 404 CO -0.08 -2.02 0.29 1.17 0.23 0.00 0.00 176.35 175.94 3fqe n LYS 405 N -2.12 0.67 0.02 1.70 4.81 0.11 -4.82 118.16 118.52 3fqe n LYS 405 Ca 0.15 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.56 3fqe n LYS 405 Cb 0.49 -1.62 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 3fqe n LYS 405 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3fqe h PRO 411 N 0.00 0.10 -0.30 1.64 0.13 -2.06 -3.51 132.00 128.00 3fqe h PRO 411 Ca -0.44 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 3fqe h PRO 411 Cb 2.13 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 33.31 3fqe h PRO 411 CO 0.05 0.84 0.12 0.00 -0.23 0.00 0.00 178.00 178.78 3fqe h ALA 412 N 0.75 0.39 -0.48 -0.56 0.00 -2.06 -2.74 119.26 114.57 3fqe h ALA 412 Ca -0.24 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3fqe h ALA 412 Cb 1.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3fqe h ALA 412 CO 0.11 -0.02 0.31 1.25 0.00 0.00 0.00 179.25 180.91 3fqe h LEU 413 N 0.34 0.54 -0.19 0.00 5.85 -2.00 -2.05 115.31 117.81 3fqe h LEU 413 Ca 0.10 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3fqe h LEU 413 Cb 0.18 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3fqe h LEU 413 CO -0.01 0.39 -0.21 0.11 -0.34 0.00 0.00 178.44 178.38 3fqe h LYS 414 N 0.64 -0.23 -0.46 1.25 6.56 -1.98 -1.91 116.57 120.43 3fqe h LYS 414 Ca 0.18 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.74 3fqe h LYS 414 Cb -0.07 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 3fqe h LYS 414 CO -0.04 -0.16 0.11 -0.44 -2.06 0.00 0.00 179.45 176.87 3fqe h ASP 415 N -0.24 0.63 -0.87 0.86 3.32 -1.34 -2.56 116.42 116.22 3fqe h ASP 415 Ca 0.12 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3fqe h ASP 415 Cb 0.42 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3fqe h ASP 415 CO -0.33 0.63 0.44 -0.33 -1.72 0.00 0.00 179.24 177.93 3fqe h GLU 416 N 0.67 1.23 -0.47 3.56 5.08 -0.83 -1.35 114.58 122.47 3fqe h GLU 416 Ca 0.15 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3fqe h GLU 416 Cb 0.25 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3fqe h GLU 416 CO -0.00 0.93 0.05 1.25 -1.00 0.00 0.00 179.01 180.23 3fqe h LEU 417 N 1.23 0.77 -0.75 1.33 5.85 -1.02 -1.81 115.31 120.91 3fqe h LEU 417 Ca 0.30 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3fqe h LEU 417 Cb 0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3fqe h LEU 417 CO -0.04 0.86 0.29 -0.07 -0.34 0.00 0.00 178.44 179.13 3fqe h LEU 418 N 0.66 1.04 -0.06 2.25 3.38 -1.24 -1.26 115.31 120.08 3fqe h LEU 418 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fqe h LEU 418 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3fqe h LEU 418 CO 0.01 0.94 0.01 0.00 0.09 0.00 0.00 178.44 179.50 3fqe h ALA 419 N 1.15 0.07 -0.77 1.53 0.00 -1.23 -1.02 119.26 118.99 3fqe h ALA 419 Ca 0.25 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3fqe h ALA 419 Cb 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3fqe h ALA 419 CO -0.02 -0.31 0.37 1.49 0.00 0.00 0.00 179.25 180.78 3fqe h GLU 420 N -0.12 0.56 -0.44 0.00 4.81 -1.24 0.00 114.58 118.15 3fqe h GLU 420 Ca 0.02 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 3fqe h GLU 420 Cb 0.23 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3fqe h GLU 420 CO 0.00 0.37 -0.20 0.00 -0.73 0.00 0.00 179.01 178.45 3fqe h ALA 421 N 1.50 0.62 -0.34 2.92 0.00 -1.14 -1.98 119.26 120.83 3fqe h ALA 421 Ca 0.40 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fqe h ALA 421 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3fqe h ALA 421 CO -0.33 0.59 0.12 -0.97 0.00 0.00 0.00 179.25 178.66 3fqe h ASN 422 N 0.75 0.44 -0.13 0.00 -1.24 -0.33 -1.72 115.58 113.35 3fqe h ASN 422 Ca 0.10 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 3fqe h ASN 422 Cb 0.77 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 3fqe h ASN 422 CO 0.06 0.41 -0.10 0.58 -1.29 0.00 0.00 177.43 177.09 3fqe h VAL 423 N 0.49 1.34 -0.14 2.57 2.07 -0.76 -3.31 116.25 118.50 3fqe h VAL 423 Ca 0.12 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 3fqe h VAL 423 Cb 0.12 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3fqe h VAL 423 CO -0.01 0.35 -0.31 0.24 0.02 0.00 0.00 177.57 177.86 3fqe h MET 424 N -0.08 0.27 -0.87 1.57 2.86 -1.14 -2.42 114.93 115.12 3fqe h MET 424 Ca 0.02 -0.10 0.16 0.00 -2.06 0.00 0.00 59.70 57.72 3fqe h MET 424 Cb 0.60 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 3fqe h MET 424 CO 0.03 0.56 0.57 0.37 1.06 0.00 0.00 176.91 179.49 3fqe h GLN 425 N 0.24 0.56 -0.00 1.72 4.15 -1.41 -1.54 115.11 118.83 3fqe h GLN 425 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3fqe h GLN 425 Cb 0.67 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3fqe h GLN 425 CO 0.05 0.37 -0.01 1.04 -1.93 0.00 0.00 178.83 178.35 3fqe n GLN 426 N -4.54 0.10 -3.88 1.69 6.02 -0.91 -4.86 117.38 111.00 3fqe n GLN 426 Ca 0.17 -0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.81 3fqe n GLN 426 Cb 0.53 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.19 3fqe n GLN 426 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fqe s LEU 427 N -2.91 3.77 -0.40 1.08 1.43 -0.58 -5.04 118.68 116.03 3fqe s LEU 427 Ca 0.17 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3fqe s LEU 427 Cb 0.19 -1.98 0.14 0.00 0.03 0.00 0.00 46.19 44.57 3fqe s LEU 427 CO 0.52 0.09 0.22 -0.62 0.23 0.00 0.00 176.35 176.79 3fqe s ASP 428 N 0.87 3.38 -0.13 2.29 2.15 -1.26 -4.95 116.67 119.02 3fqe s ASP 428 Ca 0.04 -2.41 -0.20 0.00 0.43 0.00 0.00 52.55 50.42 3fqe s ASP 428 Cb -0.14 -0.76 0.05 0.00 -0.30 0.00 0.00 42.92 41.77 3fqe s ASP 428 CO 0.03 -0.29 0.50 0.21 -0.17 0.00 0.00 175.17 175.45 3fqe s ASN 429 N 0.69 -0.49 0.62 -0.34 3.84 -1.26 -5.04 114.94 112.96 3fqe s ASN 429 Ca 0.18 0.79 0.41 0.00 0.21 0.00 0.00 52.86 54.44 3fqe s ASN 429 Cb -0.24 0.81 2.14 0.00 -0.55 0.00 0.00 41.25 43.41 3fqe s ASN 429 CO 0.00 -0.31 2.25 -0.65 -2.79 0.00 0.00 177.10 175.60 3fqe h PRO 430 N 4.61 0.00 -0.40 0.43 0.11 -1.99 -2.92 132.00 131.84 3fqe h PRO 430 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fqe h PRO 430 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fqe h PRO 430 CO 0.26 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.71 3fqe n TYR 431 N -3.02 1.26 -4.43 0.65 4.01 -1.26 -4.89 117.16 109.49 3fqe n TYR 431 Ca -0.02 -0.77 -0.23 0.00 -0.16 0.00 0.00 57.90 56.72 3fqe n TYR 431 Cb 0.12 -0.33 -0.17 0.00 -0.31 0.00 0.00 39.34 38.65 3fqe n TYR 431 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3fqe s ILE 432 N -2.49 0.95 0.28 -0.72 1.01 -1.10 -0.80 121.20 118.32 3fqe s ILE 432 Ca 0.45 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3fqe s ILE 432 Cb 0.34 -0.89 -0.13 0.00 0.01 0.00 0.00 42.46 41.78 3fqe s ILE 432 CO 0.13 0.32 1.24 0.52 0.00 0.00 0.00 174.94 177.15 3fqe n VAL 433 N 3.94 1.61 -3.49 2.92 0.31 -0.20 -4.68 118.33 118.74 3fqe n VAL 433 Ca -0.23 -0.40 -0.37 0.00 -0.01 0.00 0.00 64.34 63.33 3fqe n VAL 433 Cb 0.51 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.05 3fqe n VAL 433 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3fqe s ARG 434 N -1.25 4.27 0.00 5.55 3.52 -1.26 -5.00 118.95 124.79 3fqe s ARG 434 Ca 0.61 0.17 -0.27 0.00 -0.13 0.00 0.00 55.73 56.12 3fqe s ARG 434 Cb -0.65 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3fqe s ARG 434 CO 0.57 0.22 0.83 1.41 -0.81 0.00 0.00 175.30 177.53 3fqe s MET 435 N 0.50 4.52 -0.08 5.12 -2.45 -1.26 -1.60 119.30 124.06 3fqe s MET 435 Ca 0.19 1.16 -0.24 0.00 -1.25 0.00 0.00 55.69 55.54 3fqe s MET 435 Cb -0.13 -3.42 -0.29 0.00 1.25 0.00 0.00 34.83 32.24 3fqe s MET 435 CO 0.05 0.10 0.87 0.82 1.05 0.00 0.00 175.02 177.91 3fqe h ILE 436 N 4.53 1.61 0.00 10.11 1.08 -0.17 -3.47 117.51 131.20 3fqe h ILE 436 Ca -0.42 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 61.64 3fqe h ILE 436 Cb 1.21 3.22 0.00 0.00 -3.07 0.00 0.00 36.82 38.17 3fqe h ILE 436 CO 0.74 0.66 0.00 0.61 -0.69 0.00 0.00 178.15 179.47 3fqe n GLY 437 N 1.58 -1.19 3.41 5.37 0.00 -0.87 -4.61 105.19 108.88 3fqe n GLY 437 Ca -0.12 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 3fqe n GLY 437 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fqe s ILE 438 N -3.00 1.65 -0.15 -0.61 -4.36 0.13 -0.59 121.20 114.27 3fqe s ILE 438 Ca 0.00 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.15 3fqe s ILE 438 Cb 0.00 -2.37 0.05 0.00 1.25 0.00 0.00 42.46 41.39 3fqe s ILE 438 CO 0.00 -0.35 0.37 0.00 0.24 0.00 0.00 174.94 175.19 3fqe s GLU 440 N 0.93 2.60 0.00 0.00 2.12 -1.26 -0.40 118.70 122.69 3fqe s GLU 440 Ca -0.06 -1.89 0.00 0.00 0.36 0.00 0.00 54.97 53.38 3fqe s GLU 440 Cb -0.07 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.35 3fqe s GLU 440 CO -0.07 -1.21 0.00 0.00 -0.54 0.00 0.00 175.26 173.44 3fqe n ALA 441 N 4.73 0.00 -0.36 6.30 0.00 -1.26 -4.96 120.51 124.96 3fqe n ALA 441 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3fqe n ALA 441 Cb 0.41 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.93 3fqe n ALA 441 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3fqe h GLU 442 N 0.00 -0.01 0.00 0.00 3.07 -2.03 -3.42 114.58 112.19 3fqe h GLU 442 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 3fqe h GLU 442 Cb 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.82 3fqe h GLU 442 CO 0.00 -0.01 -0.33 -1.13 -1.40 0.00 0.00 179.01 176.14 3fqe n SER 443 N -5.52 0.12 -4.74 1.42 3.41 -1.26 -5.14 113.62 101.92 3fqe n SER 443 Ca 0.12 -2.54 -0.41 0.00 -0.26 0.00 0.00 58.87 55.77 3fqe n SER 443 Cb 0.43 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.34 3fqe n SER 443 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3fqe s TRP 444 N -2.83 3.64 -0.07 7.33 0.52 -1.26 -4.47 118.94 121.80 3fqe s TRP 444 Ca 0.23 1.65 0.02 0.00 0.02 0.00 0.00 56.10 58.02 3fqe s TRP 444 Cb 0.01 -3.23 0.02 0.00 -1.15 0.00 0.00 33.47 29.11 3fqe s TRP 444 CO 0.16 -0.45 -0.11 -1.64 0.02 0.00 0.00 176.95 174.93 3fqe s MET 445 N -0.48 1.59 -0.28 4.98 -1.94 0.46 -2.66 119.30 120.97 3fqe s MET 445 Ca 0.48 -0.37 -0.07 0.00 -1.71 0.00 0.00 55.69 54.02 3fqe s MET 445 Cb -0.29 -1.36 -0.01 0.00 2.01 0.00 0.00 34.83 35.19 3fqe s MET 445 CO 0.35 -0.01 0.09 -1.17 -0.01 0.00 0.00 175.02 174.26 3fqe s LEU 446 N 0.78 3.74 -0.22 -0.03 2.96 -0.31 -0.83 118.68 124.77 3fqe s LEU 446 Ca -0.13 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 3fqe s LEU 446 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3fqe s LEU 446 CO 0.02 -0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.27 3fqe s VAL 447 N 1.56 4.26 0.17 1.68 1.01 0.24 -0.53 120.40 128.78 3fqe s VAL 447 Ca 0.04 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3fqe s VAL 447 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3fqe s VAL 447 CO 0.03 0.39 -0.15 -0.04 0.00 0.00 0.00 175.10 175.34 3fqe s MET 448 N 1.16 1.20 0.68 2.72 -1.94 -0.19 0.58 119.30 123.51 3fqe s MET 448 Ca 0.04 -1.44 -0.17 0.00 -1.71 0.00 0.00 55.69 52.41 3fqe s MET 448 Cb -0.14 -1.06 -0.00 0.00 2.01 0.00 0.00 34.83 35.64 3fqe s MET 448 CO 0.03 0.19 1.12 -0.85 -0.01 0.00 0.00 175.02 175.49 3fqe n GLU 449 N 0.05 0.76 -3.37 2.03 0.28 -0.62 -0.94 120.64 118.83 3fqe n GLU 449 Ca -0.11 0.32 -0.38 0.00 -0.16 0.00 0.00 57.16 56.83 3fqe n GLU 449 Cb 0.59 -2.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.04 3fqe n GLU 449 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3fqe s MET 450 N -3.34 4.30 -0.65 3.44 -2.45 -1.13 -4.23 119.30 115.23 3fqe s MET 450 Ca 0.78 0.37 -0.14 0.00 -1.25 0.00 0.00 55.69 55.45 3fqe s MET 450 Cb -0.36 -3.42 0.17 0.00 1.25 0.00 0.00 34.83 32.46 3fqe s MET 450 CO 0.46 0.20 0.59 0.00 1.05 0.00 0.00 175.02 177.32 3fqe s ALA 451 N 0.51 3.79 0.35 4.11 0.00 -1.26 -4.94 121.76 124.33 3fqe s ALA 451 Ca 0.24 -2.88 0.05 0.00 0.00 0.00 0.00 51.96 49.37 3fqe s ALA 451 Cb -0.15 -3.30 0.71 0.00 0.00 0.00 0.00 23.12 20.39 3fqe s ALA 451 CO 0.09 -2.11 1.95 0.93 0.00 0.00 0.00 175.76 176.61 3fqe h GLU 452 N 8.33 0.77 -0.01 0.00 4.39 -1.74 -2.00 114.58 124.32 3fqe h GLU 452 Ca -0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3fqe h GLU 452 Cb 1.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3fqe h GLU 452 CO 0.89 0.51 -0.14 1.28 -1.16 0.00 0.00 179.01 180.40 3fqe n LEU 453 N -4.48 0.85 0.00 1.33 4.32 -0.45 -5.03 117.00 113.54 3fqe n LEU 453 Ca 0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 3fqe n LEU 453 Cb 0.23 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 3fqe n LEU 453 CO 0.33 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 3fqe n GLY 454 N 1.26 -1.87 3.73 -0.72 0.00 -0.75 -4.74 105.19 102.10 3fqe n GLY 454 Ca 0.15 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3fqe n GLY 454 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fqe n PRO 455 N -0.31 2.76 -0.34 1.61 -0.04 -1.26 -0.74 135.00 136.68 3fqe n PRO 455 Ca 0.00 0.99 0.16 0.00 -0.04 0.00 0.00 63.50 64.62 3fqe n PRO 455 Cb 0.00 -2.83 0.38 0.00 -0.04 0.00 0.00 33.50 31.02 3fqe n PRO 455 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3fqe h LEU 456 N 6.27 0.68 -0.02 1.53 5.85 -0.03 -2.49 115.31 127.10 3fqe h LEU 456 Ca -0.44 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3fqe h LEU 456 Cb 1.21 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3fqe h LEU 456 CO 0.92 0.19 -0.02 -0.55 -0.34 0.00 0.00 178.44 178.63 3fqe h ASN 457 N 0.63 0.06 -0.72 1.25 -1.07 -1.82 -1.98 115.58 111.92 3fqe h ASN 457 Ca 0.60 -0.47 0.09 0.00 0.07 0.00 0.00 56.30 56.58 3fqe h ASN 457 Cb 1.11 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 37.28 3fqe h ASN 457 CO -0.39 0.51 0.38 0.11 0.07 0.00 0.00 177.43 178.11 3fqe h LYS 458 N -0.40 0.63 -0.44 4.14 1.79 -1.84 -1.74 116.57 118.70 3fqe h LYS 458 Ca 0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3fqe h LYS 458 Cb 0.50 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3fqe h LYS 458 CO 0.00 0.42 0.23 -0.92 -1.08 0.00 0.00 179.45 178.10 3fqe h TYR 459 N 0.65 0.61 0.00 -1.35 3.20 -1.37 -2.23 116.97 116.49 3fqe h TYR 459 Ca 0.35 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 3fqe h TYR 459 Cb 0.33 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3fqe h TYR 459 CO -0.09 0.47 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.60 3fqe h LEU 460 N 0.57 0.00 -0.89 2.82 3.38 -1.07 -0.92 115.31 119.20 3fqe h LEU 460 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3fqe h LEU 460 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3fqe h LEU 460 CO -0.02 0.23 -0.55 1.56 0.09 0.00 0.00 178.44 179.74 3fqe h GLN 461 N 0.00 0.00 -0.02 1.13 4.20 -0.86 -3.25 115.11 116.31 3fqe h GLN 461 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fqe h GLN 461 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3fqe h GLN 461 CO 0.03 0.55 -0.18 1.04 -0.67 0.00 0.00 178.83 179.60 3fqe n GLN 462 N -3.87 1.64 -3.21 1.46 6.02 -0.88 -4.63 117.38 113.91 3fqe n GLN 462 Ca -0.01 -1.32 -0.24 0.00 -0.01 0.00 0.00 57.00 55.42 3fqe n GLN 462 Cb 0.56 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 30.38 3fqe n GLN 462 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3fqe n ASN 463 N 0.57 0.50 0.00 1.08 3.02 -0.39 -5.00 115.26 115.05 3fqe n ASN 463 Ca 0.10 -2.76 0.12 0.00 -0.03 0.00 0.00 54.58 52.01 3fqe n ASN 463 Cb 0.45 -0.64 0.71 0.00 -0.61 0.00 0.00 39.78 39.68 3fqe n ASN 463 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fqe n ARG 464 N 1.34 0.73 -0.20 3.52 1.74 -1.25 -2.63 116.66 119.92 3fqe n ARG 464 Ca 0.22 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.38 3fqe n ARG 464 Cb 0.52 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.64 3fqe n ARG 464 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3fqe n HIS 465 N -1.01 0.52 -1.62 -1.55 8.25 -1.26 -4.98 115.22 113.57 3fqe n HIS 465 Ca 0.18 -0.42 -0.51 0.00 -0.26 0.00 0.00 57.72 56.71 3fqe n HIS 465 Cb 0.09 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3fqe n HIS 465 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3fqe n VAL 466 N 0.86 0.05 -1.78 1.59 0.31 -1.08 -4.90 118.33 113.38 3fqe n VAL 466 Ca 0.14 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.14 3fqe n VAL 466 Cb 0.47 -1.06 0.04 0.00 -0.91 0.00 0.00 33.84 32.38 3fqe n VAL 466 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3fqe s LYS 467 N 0.99 2.95 0.25 5.55 -0.14 -1.26 -4.89 119.74 123.19 3fqe s LYS 467 Ca 0.85 1.24 -0.05 0.00 -1.36 0.00 0.00 55.97 56.65 3fqe s LYS 467 Cb -0.89 -1.98 0.33 0.00 -1.68 0.00 0.00 37.83 33.61 3fqe s LYS 467 CO 0.47 -1.11 1.89 0.22 -0.76 0.00 0.00 175.35 176.05 3fqe h ASP 468 N -0.06 1.03 -0.56 2.83 3.58 -1.95 -2.08 116.42 119.21 3fqe h ASP 468 Ca -0.46 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3fqe h ASP 468 Cb 1.23 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 3fqe h ASP 468 CO 0.55 0.69 0.37 0.50 -2.88 0.00 0.00 179.24 178.47 3fqe h LYS 469 N 1.19 0.74 -0.38 0.28 3.64 -1.98 -2.18 116.57 117.88 3fqe h LYS 469 Ca 0.39 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3fqe h LYS 469 Cb 0.05 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3fqe h LYS 469 CO -0.14 0.49 -0.17 -0.97 -2.27 0.00 0.00 179.45 176.39 3fqe h ASN 470 N 0.76 0.80 -0.10 4.20 -0.00 -1.75 -1.74 115.58 117.74 3fqe h ASN 470 Ca 0.20 -0.40 -0.00 0.00 -0.00 0.00 0.00 56.30 56.10 3fqe h ASN 470 Cb -0.08 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 38.01 3fqe h ASN 470 CO -0.04 1.02 0.05 0.40 -0.00 0.00 0.00 177.43 178.85 3fqe h ILE 471 N 0.58 1.13 -0.80 2.57 2.04 -1.22 -1.05 117.51 120.75 3fqe h ILE 471 Ca 0.09 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.66 3fqe h ILE 471 Cb 0.71 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 3fqe h ILE 471 CO 0.05 0.11 0.45 0.40 0.00 0.00 0.00 178.15 179.17 3fqe h ILE 472 N 0.03 0.91 0.07 -0.67 2.04 -1.40 -0.95 117.51 117.54 3fqe h ILE 472 Ca 0.03 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3fqe h ILE 472 Cb 0.14 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3fqe h ILE 472 CO -0.00 0.14 -0.21 -0.08 0.00 0.00 0.00 178.15 178.00 3fqe h GLU 473 N 0.76 -0.36 -0.55 2.37 4.81 -1.07 -0.77 114.58 119.77 3fqe h GLU 473 Ca 0.38 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3fqe h GLU 473 Cb 0.34 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3fqe h GLU 473 CO -0.24 -0.24 0.18 -0.07 -0.73 0.00 0.00 179.01 177.91 3fqe h LEU 474 N -0.38 0.80 -0.79 1.64 3.38 -0.67 -2.44 115.31 116.85 3fqe h LEU 474 Ca 0.04 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3fqe h LEU 474 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3fqe h LEU 474 CO -0.14 0.78 -0.59 -0.37 0.09 0.00 0.00 178.44 178.21 3fqe h VAL 475 N 0.77 1.38 -0.88 1.22 -1.51 -1.13 -2.21 116.25 113.89 3fqe h VAL 475 Ca 0.18 -2.05 -0.02 0.00 -1.23 0.00 0.00 66.70 63.59 3fqe h VAL 475 Cb 0.27 2.12 -0.04 0.00 -2.13 0.00 0.00 31.29 31.50 3fqe h VAL 475 CO -0.01 0.58 0.49 -0.74 -1.23 0.00 0.00 177.57 176.66 3fqe h HIS 476 N 0.00 1.20 -0.47 5.19 -0.00 -0.97 -0.72 115.15 119.38 3fqe h HIS 476 Ca -0.01 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 3fqe h HIS 476 Cb 1.07 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 28.08 3fqe h HIS 476 CO 0.00 0.83 0.05 1.96 -0.00 0.00 0.00 177.93 180.77 3fqe h GLN 477 N 1.23 0.80 -0.55 5.26 4.20 -0.94 0.24 115.11 125.36 3fqe h GLN 477 Ca 0.31 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.85 3fqe h GLN 477 Cb 0.02 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.66 3fqe h GLN 477 CO -0.05 0.83 0.25 0.28 -0.67 0.00 0.00 178.83 179.46 3fqe h VAL 478 N 0.66 0.88 -0.94 -0.54 2.07 -1.23 -1.82 116.25 115.34 3fqe h VAL 478 Ca 0.14 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3fqe h VAL 478 Cb 0.43 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3fqe h VAL 478 CO 0.01 0.09 0.62 0.77 0.02 0.00 0.00 177.57 179.08 3fqe h SER 479 N 0.47 1.05 -0.53 0.57 4.64 -0.16 0.21 113.55 119.79 3fqe h SER 479 Ca 0.26 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 3fqe h SER 479 Cb 0.23 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3fqe h SER 479 CO -0.22 0.74 0.11 0.24 -0.87 0.00 0.00 176.83 176.84 3fqe h MET 480 N 1.23 0.86 -0.41 4.77 2.07 -0.66 0.14 114.93 122.94 3fqe h MET 480 Ca 0.36 -0.22 -0.05 0.00 -2.07 0.00 0.00 59.70 57.72 3fqe h MET 480 Cb -0.08 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.53 3fqe h MET 480 CO -0.09 0.83 0.03 0.78 1.07 0.00 0.00 176.91 179.52 3fqe h GLY 481 N 0.75 0.69 1.67 8.32 0.00 -0.88 -2.43 103.07 111.19 3fqe h GLY 481 Ca 0.16 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 3fqe h GLY 481 CO 0.01 0.39 -0.85 -0.33 0.00 0.00 0.00 176.54 175.75 3fqe h MET 482 N 0.61 0.30 -0.48 4.80 2.86 -0.24 -2.04 114.93 120.75 3fqe h MET 482 Ca 0.13 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3fqe h MET 482 Cb 0.34 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3fqe h MET 482 CO 0.01 0.99 0.31 -0.22 1.06 0.00 0.00 176.91 179.06 3fqe h LYS 483 N 0.18 0.61 -0.23 1.72 3.64 -0.62 -0.78 116.57 121.11 3fqe h LYS 483 Ca -0.05 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3fqe h LYS 483 Cb 1.46 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 3fqe h LYS 483 CO 0.14 0.41 0.11 -0.92 -2.27 0.00 0.00 179.45 176.91 3fqe h TYR 484 N 0.63 0.20 -0.69 1.91 3.20 -1.42 -1.76 116.97 119.04 3fqe h TYR 484 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3fqe h TYR 484 Cb -0.05 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3fqe h TYR 484 CO -0.05 0.11 0.45 1.25 -1.64 0.00 0.00 178.16 178.28 3fqe h LEU 485 N 0.23 0.80 0.67 2.82 5.85 -1.13 -0.40 115.31 124.15 3fqe h LEU 485 Ca 0.09 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3fqe h LEU 485 Cb 0.03 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.87 3fqe h LEU 485 CO -0.07 0.59 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.21 3fqe h GLU 486 N 0.94 -0.86 -1.17 1.25 4.81 -0.89 -2.05 114.58 116.60 3fqe h GLU 486 Ca 0.25 0.06 0.33 0.00 -0.13 0.00 0.00 59.36 59.87 3fqe h GLU 486 Cb -0.10 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 3fqe h GLU 486 CO -0.05 -0.54 0.79 0.93 -0.73 0.00 0.00 179.01 179.41 3fqe h GLU 487 N -1.02 0.18 -0.00 1.92 5.08 -1.02 0.38 114.58 120.10 3fqe h GLU 487 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3fqe h GLU 487 Cb 0.72 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3fqe h GLU 487 CO 0.15 0.12 -0.11 0.43 -1.00 0.00 0.00 179.01 178.60 3fqe n SER 488 N -4.46 0.42 -3.39 1.42 7.64 -0.18 -4.95 113.62 110.11 3fqe n SER 488 Ca 0.28 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 3fqe n SER 488 Cb 1.14 -0.09 0.08 0.00 -1.01 0.00 0.00 64.21 64.33 3fqe n SER 488 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fqe n ASN 489 N -1.02 -5.54 -4.50 6.43 4.13 0.13 -4.90 115.26 109.99 3fqe n ASN 489 Ca 0.14 -0.52 -0.33 0.00 1.68 0.00 0.00 54.58 55.55 3fqe n ASN 489 Cb 0.28 -4.77 -0.13 0.00 -1.54 0.00 0.00 39.78 33.62 3fqe n ASN 489 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3fqe s PHE 490 N -3.31 2.74 -0.00 3.10 0.40 -0.95 -1.17 117.98 118.80 3fqe s PHE 490 Ca 0.47 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 3fqe s PHE 490 Cb -0.21 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3fqe s PHE 490 CO 0.69 0.23 0.07 0.14 0.70 0.00 0.00 175.22 177.04 3fqe s VAL 491 N -0.78 4.61 -0.19 -0.44 -7.23 -0.39 -4.41 120.40 111.57 3fqe s VAL 491 Ca 0.12 -0.46 -0.23 0.00 -1.81 0.00 0.00 61.98 59.60 3fqe s VAL 491 Cb -0.11 -3.10 -0.20 0.00 0.56 0.00 0.00 36.38 33.53 3fqe s VAL 491 CO 0.02 0.35 0.35 -0.74 -0.31 0.00 0.00 175.10 174.76 3fqe h HIS 492 N 4.11 0.00 0.00 2.82 2.76 -1.89 -2.06 115.15 120.89 3fqe h HIS 492 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 3fqe h HIS 492 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3fqe h HIS 492 CO 0.63 1.31 0.00 0.54 -1.30 0.00 0.00 177.93 179.12 3fqe n ARG 493 N -4.49 -0.83 -2.76 5.26 1.74 -1.26 -3.24 116.66 111.07 3fqe n ARG 493 Ca -0.25 0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 3fqe n ARG 493 Cb 0.61 -3.95 0.07 0.00 -1.02 0.00 0.00 32.46 28.17 3fqe n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fqe n ASP 494 N -0.42 -0.75 -4.40 0.55 2.03 -1.26 -4.92 116.55 107.38 3fqe n ASP 494 Ca 0.00 -2.86 -0.44 0.00 0.52 0.00 0.00 54.79 52.01 3fqe n ASP 494 Cb 0.21 0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 41.14 3fqe n ASP 494 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3fqe s LEU 495 N -2.88 5.16 0.07 -2.67 2.96 -1.26 -4.85 118.68 115.21 3fqe s LEU 495 Ca 0.26 -1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 3fqe s LEU 495 Cb 0.39 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3fqe s LEU 495 CO -0.05 -1.08 0.16 0.00 -1.32 0.00 0.00 176.35 174.06 3fqe s ALA 496 N 2.80 -0.16 0.49 5.97 0.00 -1.26 -4.45 121.76 125.15 3fqe s ALA 496 Ca 0.14 -0.61 0.14 0.00 0.00 0.00 0.00 51.96 51.63 3fqe s ALA 496 Cb -0.22 0.40 1.16 0.00 0.00 0.00 0.00 23.12 24.47 3fqe s ALA 496 CO 0.08 -0.45 2.12 0.00 0.00 0.00 0.00 175.76 177.51 3fqe h ALA 497 N 3.01 1.92 0.00 0.00 0.00 -1.93 -0.39 119.26 121.87 3fqe h ALA 497 Ca -0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fqe h ALA 497 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3fqe h ALA 497 CO 0.55 0.07 -0.02 0.07 0.00 0.00 0.00 179.25 179.93 3fqe h ARG 498 N 0.12 0.00 -0.51 0.00 0.11 -1.95 -2.37 114.38 109.78 3fqe h ARG 498 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3fqe h ARG 498 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 3fqe h ARG 498 CO -0.00 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.17 3fqe n ASN 499 N -3.21 3.95 -4.55 0.08 3.02 -0.16 -4.70 115.26 109.69 3fqe n ASN 499 Ca -0.02 -2.34 -0.35 0.00 -0.03 0.00 0.00 54.58 51.84 3fqe n ASN 499 Cb 0.16 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 3fqe n ASN 499 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fqe s VAL 500 N -1.62 4.59 -0.08 2.41 1.01 -0.90 -1.50 120.40 124.31 3fqe s VAL 500 Ca 0.41 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3fqe s VAL 500 Cb 0.26 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3fqe s VAL 500 CO 0.21 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.81 3fqe s LEU 501 N 0.96 2.73 -0.26 3.92 2.01 0.65 0.29 118.68 128.99 3fqe s LEU 501 Ca 0.04 -0.24 -0.09 0.00 0.01 0.00 0.00 54.13 53.85 3fqe s LEU 501 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 46.19 44.44 3fqe s LEU 501 CO 0.03 0.28 0.14 -0.76 1.01 0.00 0.00 176.35 177.05 3fqe s LEU 502 N -0.36 3.83 -0.11 1.79 1.43 0.08 -0.55 118.68 124.79 3fqe s LEU 502 Ca 0.04 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 3fqe s LEU 502 Cb -0.12 -2.04 -0.26 0.00 0.03 0.00 0.00 46.19 43.80 3fqe s LEU 502 CO 0.02 -0.01 0.87 0.58 0.23 0.00 0.00 176.35 178.05 3fqe h VAL 503 N 5.33 1.69 -3.61 -1.59 2.07 -0.91 -1.17 116.25 118.05 3fqe h VAL 503 Ca -0.37 -2.18 -0.22 0.00 0.82 0.00 0.00 66.70 64.75 3fqe h VAL 503 Cb 1.18 3.15 -0.05 0.00 -1.52 0.00 0.00 31.29 34.05 3fqe h VAL 503 CO 0.59 0.58 -0.19 0.35 0.02 0.00 0.00 177.57 178.91 3fqe n THR 504 N -4.57 0.00 0.61 2.57 -2.24 -1.12 -4.34 114.28 105.18 3fqe n THR 504 Ca -0.10 -0.99 0.11 0.00 -2.27 0.00 0.00 64.05 60.80 3fqe n THR 504 Cb 0.49 0.39 0.44 0.00 -2.10 0.00 0.00 70.33 69.55 3fqe n THR 504 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3fqe n GLN 505 N -0.35 0.09 -0.07 -0.78 7.27 -1.26 -2.80 117.38 119.48 3fqe n GLN 505 Ca -0.01 0.23 0.06 0.00 0.07 0.00 0.00 57.00 57.35 3fqe n GLN 505 Cb 0.25 -1.64 0.08 0.00 2.41 0.00 0.00 30.24 31.34 3fqe n GLN 505 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3fqe n HIS 506 N -1.80 0.00 -3.56 3.69 8.25 -1.26 -4.93 115.22 115.62 3fqe n HIS 506 Ca 0.04 -0.73 -0.25 0.00 -0.26 0.00 0.00 57.72 56.53 3fqe n HIS 506 Cb 0.26 -0.10 -0.15 0.00 1.12 0.00 0.00 29.99 31.12 3fqe n HIS 506 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3fqe s TYR 507 N -1.95 0.10 0.05 4.41 6.04 -1.12 -4.94 117.35 119.94 3fqe s TYR 507 Ca 0.18 -0.37 0.05 0.00 0.04 0.00 0.00 57.07 56.97 3fqe s TYR 507 Cb 0.16 -0.68 -0.04 0.00 -1.04 0.00 0.00 41.96 40.36 3fqe s TYR 507 CO 0.02 -0.64 -0.07 0.00 -1.54 0.00 0.00 175.55 173.31 3fqe s ALA 508 N 2.18 3.01 0.03 3.97 0.00 -1.26 -0.24 121.76 129.44 3fqe s ALA 508 Ca 0.05 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3fqe s ALA 508 Cb -0.16 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 3fqe s ALA 508 CO -0.19 0.63 -0.05 0.15 0.00 0.00 0.00 175.76 176.30 3fqe s LYS 509 N -1.76 0.40 -0.01 0.00 1.02 0.28 -4.71 119.74 114.97 3fqe s LYS 509 Ca 0.19 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.39 3fqe s LYS 509 Cb -0.11 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.98 3fqe s LYS 509 CO 0.11 0.03 0.70 0.42 -0.92 0.00 0.00 175.35 175.68 3fqe s ILE 510 N -1.08 4.89 0.00 2.17 1.01 0.02 -0.25 121.20 127.96 3fqe s ILE 510 Ca -0.09 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3fqe s ILE 510 Cb -0.08 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3fqe s ILE 510 CO -0.00 0.33 0.00 -1.54 0.00 0.00 0.00 174.94 173.73 3fqe n SER 511 N 3.16 0.59 -2.87 3.58 3.41 -0.56 -1.03 113.62 119.89 3fqe n SER 511 Ca -0.03 -0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 3fqe n SER 511 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3fqe n SER 511 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fqe n ASP 512 N -0.08 -7.26 -1.89 4.04 8.00 -1.26 -4.86 116.55 113.25 3fqe n ASP 512 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3fqe n ASP 512 Cb 0.00 -4.90 0.33 0.00 -0.02 0.00 0.00 41.12 36.53 3fqe n ASP 512 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fqe n PHE 513 N -1.47 2.17 0.29 1.24 3.72 -1.26 -4.65 117.46 117.50 3fqe n PHE 513 Ca 0.02 -0.92 0.14 0.00 -0.05 0.00 0.00 57.45 56.64 3fqe n PHE 513 Cb 0.49 -0.58 0.88 0.00 -0.94 0.00 0.00 39.48 39.32 3fqe n PHE 513 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3fqe h GLY 514 N 3.45 0.00 -2.46 1.37 0.00 -1.90 -1.90 103.07 101.62 3fqe h GLY 514 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3fqe h GLY 514 CO 0.59 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.17 3fqe n LEU 515 N -3.87 3.71 -4.79 3.11 4.77 -1.26 -4.86 117.00 113.81 3fqe n LEU 515 Ca -0.03 -1.80 -0.36 0.00 -0.03 0.00 0.00 56.01 53.80 3fqe n LEU 515 Cb 0.10 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3fqe n LEU 515 CO 0.28 0.88 0.74 -0.44 -1.33 0.00 0.00 177.39 177.52 3fqe s SER 516 N -1.18 6.52 -0.02 -1.43 0.01 -0.72 -4.61 113.70 112.27 3fqe s SER 516 Ca 0.43 2.03 0.01 0.00 1.31 0.00 0.00 55.95 59.74 3fqe s SER 516 Cb 0.24 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3fqe s SER 516 CO 0.32 -0.66 -0.04 -0.54 0.41 0.00 0.00 173.24 172.72 3fqe s LYS 517 N -2.80 0.50 -0.13 12.44 -0.14 -0.77 -4.97 119.74 123.87 3fqe s LYS 517 Ca 0.62 -0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 54.84 3fqe s LYS 517 Cb -0.21 -0.52 -0.02 0.00 -1.68 0.00 0.00 37.83 35.40 3fqe s LYS 517 CO 0.26 0.03 0.89 0.00 -0.76 0.00 0.00 175.35 175.77 3fqe s ALA 518 N 0.31 3.45 0.46 5.17 0.00 -1.26 -1.26 121.76 128.63 3fqe s ALA 518 Ca -0.03 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 3fqe s ALA 518 Cb -0.07 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3fqe s ALA 518 CO -0.00 -0.57 1.18 -0.51 0.00 0.00 0.00 175.76 175.86 3fqe s LEU 519 N 1.94 4.01 0.40 0.00 1.43 -0.32 -4.99 118.68 121.15 3fqe s LEU 519 Ca 0.43 2.35 -0.26 0.00 -1.03 0.00 0.00 54.13 55.62 3fqe s LEU 519 Cb -0.17 -4.22 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3fqe s LEU 519 CO 0.15 -0.95 1.27 -0.13 0.23 0.00 0.00 176.35 176.92 3fqe s ARG 520 N -2.68 4.03 0.53 1.70 0.52 -1.26 -4.89 118.95 116.89 3fqe s ARG 520 Ca 0.64 2.08 0.19 0.00 -0.52 0.00 0.00 55.73 58.11 3fqe s ARG 520 Cb -0.30 -2.77 1.02 0.00 0.52 0.00 0.00 34.95 33.43 3fqe s ARG 520 CO 0.36 -0.41 1.53 0.00 0.02 0.00 0.00 175.30 176.79 3fqe h ALA 521 N 2.74 1.37 -0.24 2.13 0.00 -1.98 -1.59 119.26 121.70 3fqe h ALA 521 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fqe h ALA 521 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fqe h ALA 521 CO 0.63 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3fqe n ASP 522 N -2.48 2.87 -4.02 0.00 5.75 -1.26 -5.02 116.55 112.38 3fqe n ASP 522 Ca -0.01 -2.25 -0.14 0.00 -0.01 0.00 0.00 54.79 52.38 3fqe n ASP 522 Cb 0.45 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.17 3fqe n ASP 522 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3fqe s GLU 523 N -1.45 0.48 0.00 0.11 0.41 -0.60 -5.02 118.70 112.63 3fqe s GLU 523 Ca 0.22 -0.57 0.25 0.00 -0.41 0.00 0.00 54.97 54.45 3fqe s GLU 523 Cb 0.14 -0.30 0.36 0.00 -1.78 0.00 0.00 34.13 32.55 3fqe s GLU 523 CO 0.10 0.06 1.34 0.09 -0.49 0.00 0.00 175.26 176.36 3fqe n ASN 524 N 1.92 2.26 -3.87 -0.19 4.13 -1.26 -4.50 115.26 113.76 3fqe n ASN 524 Ca -0.20 -1.66 -0.09 0.00 1.68 0.00 0.00 54.58 54.31 3fqe n ASN 524 Cb 0.56 0.14 -0.07 0.00 -1.54 0.00 0.00 39.78 38.87 3fqe n ASN 524 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 3fqe s TYR 525 N -2.18 0.19 -0.11 3.10 -0.85 -1.26 -4.48 117.35 111.76 3fqe s TYR 525 Ca 0.27 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 3fqe s TYR 525 Cb 0.20 -0.00 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 3fqe s TYR 525 CO 0.40 -0.64 -0.10 -0.47 -1.52 0.00 0.00 175.55 173.22 3fqe s TYR 526 N -3.90 2.86 -0.37 -3.49 6.14 0.76 -4.82 117.35 114.53 3fqe s TYR 526 Ca 0.10 -0.35 -0.13 0.00 0.64 0.00 0.00 57.07 57.32 3fqe s TYR 526 Cb 0.04 -1.80 0.00 0.00 0.42 0.00 0.00 41.96 40.62 3fqe s TYR 526 CO -0.07 0.01 0.25 0.21 0.64 0.00 0.00 175.55 176.59 3fqe s LYS 527 N -0.08 3.18 0.91 4.97 2.47 -1.26 -0.60 119.74 129.33 3fqe s LYS 527 Ca -0.01 -0.86 -0.12 0.00 -1.56 0.00 0.00 55.97 53.42 3fqe s LYS 527 Cb -0.14 -3.85 0.14 0.00 -1.46 0.00 0.00 37.83 32.52 3fqe s LYS 527 CO 0.03 -0.60 1.11 0.00 0.16 0.00 0.00 175.35 176.05 3fqe s ALA 528 N 1.68 1.62 0.00 3.13 0.00 -0.14 -5.03 121.76 123.01 3fqe s ALA 528 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3fqe s ALA 528 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3fqe s ALA 528 CO 0.10 -2.33 0.41 1.04 0.00 0.00 0.00 175.76 174.98 3fqe n GLN 529 N -3.82 0.00 -1.79 0.00 6.02 -1.26 -4.97 117.38 111.56 3fqe n GLN 529 Ca 0.06 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 3fqe n GLN 529 Cb 0.58 -0.36 -0.03 0.00 1.02 0.00 0.00 30.24 31.44 3fqe n GLN 529 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3fqe s LYS 533 N 0.00 4.16 0.01 -1.09 2.20 -1.26 -5.27 119.74 118.49 3fqe s LYS 533 Ca 0.00 2.52 0.08 0.00 -0.36 0.00 0.00 55.97 58.20 3fqe s LYS 533 Cb 0.00 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3fqe s LYS 533 CO 0.00 -0.78 -0.23 -1.58 -0.36 0.00 0.00 175.35 172.39 3fqe s TRP 534 N 2.30 2.08 -0.74 4.03 0.51 -1.26 -5.04 118.94 120.83 3fqe s TRP 534 Ca 0.77 -0.39 -0.22 0.00 -2.12 0.00 0.00 56.10 54.14 3fqe s TRP 534 Cb -0.45 -1.30 -0.17 0.00 -0.81 0.00 0.00 33.47 30.75 3fqe s TRP 534 CO 0.34 0.03 1.91 -0.35 -0.51 0.00 0.00 176.95 178.37 3fqe n PRO 535 N 2.20 1.44 -0.31 4.98 -0.04 -1.26 -4.79 135.00 137.21 3fqe n PRO 535 Ca -0.16 -1.80 0.12 0.00 -0.04 0.00 0.00 63.50 61.61 3fqe n PRO 535 Cb 0.52 -2.89 0.34 0.00 -0.04 0.00 0.00 33.50 31.43 3fqe n PRO 535 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3fqe h VAL 536 N 4.49 0.80 0.00 0.52 2.07 -1.96 -1.68 116.25 120.50 3fqe h VAL 536 Ca 0.42 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.68 3fqe h VAL 536 Cb 0.67 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3fqe h VAL 536 CO 1.97 0.14 0.00 0.29 0.02 0.00 0.00 177.57 179.98 3fqe n LYS 537 N -4.62 0.10 0.00 1.57 5.02 -1.26 -1.51 118.16 117.46 3fqe n LYS 537 Ca 0.20 0.18 0.07 0.00 -2.02 0.00 0.00 58.31 56.74 3fqe n LYS 537 Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 3fqe n LYS 537 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3fqe n TRP 538 N -1.41 0.00 -3.37 2.13 8.01 -0.63 -4.98 117.44 117.19 3fqe n TRP 538 Ca 0.06 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.86 3fqe n TRP 538 Cb 0.16 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.40 3fqe n TRP 538 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3fqe s TYR 539 N -1.94 3.76 0.69 -5.99 4.12 -0.57 -3.58 117.35 113.83 3fqe s TYR 539 Ca 0.10 1.13 -0.13 0.00 0.02 0.00 0.00 57.07 58.19 3fqe s TYR 539 Cb 0.12 -2.41 0.01 0.00 -1.52 0.00 0.00 41.96 38.16 3fqe s TYR 539 CO 0.43 0.59 1.10 0.00 0.02 0.00 0.00 175.55 177.68 3fqe s ALA 540 N -0.98 2.44 0.27 3.71 0.00 -1.26 -4.90 121.76 121.03 3fqe s ALA 540 Ca 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 3fqe s ALA 540 Cb -0.18 -3.29 0.54 0.00 0.00 0.00 0.00 23.12 20.19 3fqe s ALA 540 CO 0.16 -1.38 1.77 -1.35 0.00 0.00 0.00 175.76 174.96 3fqe h PRO 541 N -0.34 0.63 0.00 0.00 0.11 -1.95 -1.97 132.00 128.47 3fqe h PRO 541 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3fqe h PRO 541 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fqe h PRO 541 CO 0.54 0.42 -0.21 1.05 -0.21 0.00 0.00 178.00 179.58 3fqe h GLU 542 N 0.65 0.00 -0.11 1.05 9.09 -1.88 -0.48 114.58 122.89 3fqe h GLU 542 Ca 0.47 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.83 3fqe h GLU 542 Cb 0.65 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3fqe h GLU 542 CO -0.36 0.21 -0.11 0.00 0.05 0.00 0.00 179.01 178.80 3fqe h ILE 544 N -0.12 1.27 0.11 0.00 1.08 -1.27 -1.09 117.51 117.49 3fqe h ILE 544 Ca 0.02 -0.97 -0.29 0.00 -0.39 0.00 0.00 64.86 63.23 3fqe h ILE 544 Cb 0.64 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 3fqe h ILE 544 CO 0.03 0.30 -1.40 0.78 -0.69 0.00 0.00 178.15 177.16 3fqe h ASN 545 N 0.11 0.36 0.00 1.72 2.35 -1.19 -3.40 115.58 115.53 3fqe h ASN 545 Ca 0.05 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3fqe h ASN 545 Cb 0.46 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3fqe h ASN 545 CO 0.02 1.37 0.00 -1.22 -1.65 0.00 0.00 177.43 175.94 3fqe n TYR 546 N -3.46 0.00 -2.52 1.19 4.02 -0.32 -5.03 117.16 111.05 3fqe n TYR 546 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.56 3fqe n TYR 546 Cb 1.03 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.35 3fqe n TYR 546 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3fqe n TYR 547 N -0.00 -1.21 -3.89 -0.72 4.01 -0.41 -4.88 117.16 110.07 3fqe n TYR 547 Ca 0.00 0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.48 3fqe n TYR 547 Cb 0.07 -3.95 -0.14 0.00 -0.31 0.00 0.00 39.34 35.01 3fqe n TYR 547 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3fqe s LYS 548 N -5.17 3.36 -0.17 -0.72 1.02 -1.17 -0.97 119.74 115.93 3fqe s LYS 548 Ca 0.05 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.41 3fqe s LYS 548 Cb -0.02 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3fqe s LYS 548 CO 0.07 -0.22 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.06 3fqe s PHE 549 N 1.49 2.79 0.38 3.18 0.08 0.23 -3.73 117.98 122.39 3fqe s PHE 549 Ca 0.05 -1.24 0.05 0.00 0.12 0.00 0.00 56.93 55.92 3fqe s PHE 549 Cb -0.15 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3fqe s PHE 549 CO -0.02 -0.60 0.20 -1.54 -0.10 0.00 0.00 175.22 173.16 3fqe s SER 550 N 1.04 2.29 0.26 1.36 1.04 -1.26 -0.17 113.70 118.26 3fqe s SER 550 Ca -0.01 -1.72 -0.04 0.00 0.48 0.00 0.00 55.95 54.66 3fqe s SER 550 Cb -0.15 0.55 0.34 0.00 0.10 0.00 0.00 66.02 66.87 3fqe s SER 550 CO -0.04 -1.00 1.92 0.28 0.98 0.00 0.00 173.24 175.38 3fqe h SER 551 N 1.94 1.08 -0.41 7.02 0.02 -1.89 -1.07 113.55 120.23 3fqe h SER 551 Ca -0.31 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3fqe h SER 551 Cb 1.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3fqe h SER 551 CO 0.47 0.76 0.28 0.11 -1.14 0.00 0.00 176.83 177.31 3fqe h LYS 552 N 1.26 0.24 -0.51 3.45 1.79 -1.94 -0.92 116.57 119.95 3fqe h LYS 552 Ca 0.38 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.74 3fqe h LYS 552 Cb -0.05 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 3fqe h LYS 552 CO -0.11 0.16 -0.05 0.77 -1.08 0.00 0.00 179.45 179.14 3fqe h SER 553 N 0.25 0.88 0.37 0.86 0.02 -1.57 -2.25 113.55 112.11 3fqe h SER 553 Ca 0.19 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3fqe h SER 553 Cb 0.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3fqe h SER 553 CO -0.04 0.97 -0.48 0.44 -1.14 0.00 0.00 176.83 176.58 3fqe h ASP 554 N 0.82 0.14 0.01 3.07 3.32 -1.09 -2.84 116.42 119.85 3fqe h ASP 554 Ca 0.14 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fqe h ASP 554 Cb 0.56 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3fqe h ASP 554 CO 0.03 0.61 -0.01 0.58 -1.72 0.00 0.00 179.24 178.73 3fqe h VAL 555 N 0.11 0.99 -0.62 -1.35 2.07 -0.88 0.59 116.25 117.16 3fqe h VAL 555 Ca 0.00 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3fqe h VAL 555 Cb 0.90 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 3fqe h VAL 555 CO 0.07 0.00 -0.22 -0.25 0.02 0.00 0.00 177.57 177.19 3fqe h TRP 556 N -0.02 -0.54 -0.35 1.57 2.91 -1.30 -1.62 115.95 116.60 3fqe h TRP 556 Ca -0.00 0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.02 3fqe h TRP 556 Cb 0.02 0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 3fqe h TRP 556 CO -0.08 -0.32 -0.04 0.77 -1.03 0.00 0.00 178.44 177.74 3fqe h SER 557 N -0.06 0.55 -0.87 2.65 0.02 -1.22 -1.71 113.55 112.90 3fqe h SER 557 Ca 0.28 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3fqe h SER 557 Cb 0.50 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 3fqe h SER 557 CO -0.67 0.65 0.56 0.15 -1.14 0.00 0.00 176.83 176.39 3fqe h PHE 558 N 0.54 0.98 0.03 3.45 3.57 0.01 0.40 116.94 125.93 3fqe h PHE 558 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3fqe h PHE 558 Cb 0.41 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3fqe h PHE 558 CO 0.02 0.51 -0.15 0.78 -2.23 0.00 0.00 178.31 177.24 3fqe h GLY 559 N 0.97 -0.22 1.01 2.40 0.00 -0.48 0.17 103.07 106.91 3fqe h GLY 559 Ca 0.37 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3fqe h GLY 559 CO -0.14 -0.15 0.55 -2.08 0.00 0.00 0.00 176.54 174.72 3fqe h VAL 560 N -0.27 1.22 -0.29 4.60 2.07 -1.17 -1.60 116.25 120.81 3fqe h VAL 560 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3fqe h VAL 560 Cb 0.31 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3fqe h VAL 560 CO -0.12 0.22 0.13 0.25 0.02 0.00 0.00 177.57 178.07 3fqe h LEU 561 N 1.15 0.19 -0.18 2.57 6.46 0.31 -0.53 115.31 125.27 3fqe h LEU 561 Ca 0.31 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 3fqe h LEU 561 Cb -0.11 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 3fqe h LEU 561 CO -0.06 0.15 -0.11 0.24 -0.62 0.00 0.00 178.44 178.04 3fqe h MET 562 N 0.29 -0.09 -0.69 1.25 2.86 -0.32 0.13 114.93 118.35 3fqe h MET 562 Ca 0.12 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 3fqe h MET 562 Cb 0.06 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 3fqe h MET 562 CO -0.10 -0.06 0.27 2.35 1.06 0.00 0.00 176.91 180.43 3fqe h TRP 563 N -0.10 0.47 -0.07 -0.22 7.01 -0.93 0.26 115.95 122.37 3fqe h TRP 563 Ca 0.10 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3fqe h TRP 563 Cb 0.25 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3fqe h TRP 563 CO -0.25 0.10 0.04 0.93 -2.79 0.00 0.00 178.44 176.46 3fqe h GLU 564 N 0.45 0.09 -0.33 2.65 5.08 -0.30 0.08 114.58 122.30 3fqe h GLU 564 Ca 0.36 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.76 3fqe h GLU 564 Cb 0.48 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3fqe h GLU 564 CO -0.35 0.10 0.03 0.00 -1.00 0.00 0.00 179.01 177.79 3fqe h ALA 565 N 0.99 0.32 0.00 3.43 0.00 0.35 -0.77 119.26 123.57 3fqe h ALA 565 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fqe h ALA 565 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fqe h ALA 565 CO -0.00 -0.38 0.00 0.74 0.00 0.00 0.00 179.25 179.61 3fqe h PHE 566 N 0.13 0.00 -0.49 0.00 0.04 -0.40 -2.54 116.94 113.68 3fqe h PHE 566 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3fqe h PHE 566 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3fqe h PHE 566 CO -0.21 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 177.93 3fqe n SER 567 N -2.48 2.75 -3.49 2.17 7.64 0.00 -4.71 113.62 115.51 3fqe n SER 567 Ca 0.03 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.70 3fqe n SER 567 Cb 0.34 -0.33 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 3fqe n SER 567 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3fqe n TYR 568 N 1.00 -2.79 -0.26 1.43 4.01 -0.88 -3.27 117.16 116.40 3fqe n TYR 568 Ca 0.17 0.98 0.00 0.00 -0.16 0.00 0.00 57.90 58.90 3fqe n TYR 568 Cb 0.44 -4.90 0.00 0.00 -0.31 0.00 0.00 39.34 34.57 3fqe n TYR 568 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fqe n GLY 569 N -1.96 0.78 3.77 2.72 0.00 -0.35 -2.94 105.19 107.20 3fqe n GLY 569 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3fqe n GLY 569 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fqe s GLN 570 N -0.74 4.32 0.41 1.61 -0.21 -1.20 -4.87 119.66 118.98 3fqe s GLN 570 Ca 0.00 2.01 -0.26 0.00 0.02 0.00 0.00 55.36 57.13 3fqe s GLN 570 Cb 0.00 -2.97 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 3fqe s GLN 570 CO 0.00 -0.15 1.40 0.15 -2.12 0.00 0.00 175.29 174.57 3fqe s LYS 571 N -1.87 3.92 0.65 2.91 1.02 -1.26 -4.67 119.74 120.42 3fqe s LYS 571 Ca 0.51 2.37 -0.11 0.00 0.02 0.00 0.00 55.97 58.76 3fqe s LYS 571 Cb -0.35 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3fqe s LYS 571 CO 0.46 -0.61 1.04 -1.25 -0.92 0.00 0.00 175.35 174.07 3fqe s PRO 572 N -2.26 3.28 -1.48 -1.68 0.04 -1.26 -4.06 135.00 127.58 3fqe s PRO 572 Ca 0.57 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 3fqe s PRO 572 Cb -0.43 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.05 3fqe s PRO 572 CO 0.56 -0.74 0.26 0.66 0.04 0.00 0.00 177.00 177.78 3fqe n TYR 573 N -2.82 -1.48 -1.76 0.56 4.02 -1.26 -4.80 117.16 109.62 3fqe n TYR 573 Ca 0.06 0.69 -0.41 0.00 -0.01 0.00 0.00 57.90 58.24 3fqe n TYR 573 Cb 0.55 -3.30 0.01 0.00 -0.02 0.00 0.00 39.34 36.58 3fqe n TYR 573 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3fqe n ARG 574 N -4.47 2.40 -1.54 -0.72 1.85 -1.26 -2.48 116.66 110.43 3fqe n ARG 574 Ca -0.30 0.85 -0.14 0.00 -1.00 0.00 0.00 57.85 57.26 3fqe n ARG 574 Cb 0.68 -2.61 -0.05 0.00 -1.05 0.00 0.00 32.46 29.43 3fqe n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fqe n GLY 575 N 0.55 1.19 3.35 2.89 0.00 -1.26 -5.01 105.19 106.91 3fqe n GLY 575 Ca 0.04 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3fqe n GLY 575 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fqe s MET 576 N -3.42 2.14 0.53 1.61 -1.94 -1.03 -5.14 119.30 112.05 3fqe s MET 576 Ca 0.00 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 52.96 3fqe s MET 576 Cb 0.00 -2.10 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 3fqe s MET 576 CO 0.00 0.57 0.92 0.15 -0.01 0.00 0.00 175.02 176.65 3fqe s LYS 577 N -0.76 3.69 0.28 2.03 1.02 -1.26 -4.92 119.74 119.82 3fqe s LYS 577 Ca 0.11 0.62 0.01 0.00 0.02 0.00 0.00 55.97 56.73 3fqe s LYS 577 Cb -0.10 -2.21 0.64 0.00 -0.52 0.00 0.00 37.83 35.64 3fqe s LYS 577 CO -0.00 -0.34 1.69 0.78 -0.92 0.00 0.00 175.35 176.56 3fqe h GLY 578 N 0.31 1.35 2.00 -3.33 0.00 -1.99 -0.60 103.07 100.81 3fqe h GLY 578 Ca -0.46 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3fqe h GLY 578 CO 0.62 -0.26 -0.37 1.48 0.00 0.00 0.00 176.54 178.02 3fqe h SER 579 N 0.34 0.00 -0.28 0.19 4.64 -2.00 -2.81 113.55 113.62 3fqe h SER 579 Ca 0.51 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.65 3fqe h SER 579 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3fqe h SER 579 CO -0.54 0.37 -0.53 -0.33 -0.87 0.00 0.00 176.83 174.93 3fqe h GLU 580 N 0.00 0.87 -0.04 4.77 5.08 -1.51 -2.68 114.58 121.08 3fqe h GLU 580 Ca -0.00 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3fqe h GLU 580 Cb 0.88 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3fqe h GLU 580 CO 0.05 1.17 -0.04 0.28 -1.00 0.00 0.00 179.01 179.47 3fqe h VAL 581 N 0.67 0.87 -0.65 3.13 2.07 -1.26 0.46 116.25 121.55 3fqe h VAL 581 Ca 0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 3fqe h VAL 581 Cb 1.13 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 3fqe h VAL 581 CO 0.12 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.43 3fqe h THR 582 N -0.06 0.45 -0.55 2.57 2.02 -1.54 -0.63 112.91 115.16 3fqe h THR 582 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3fqe h THR 582 Cb 0.11 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3fqe h THR 582 CO -0.07 0.02 0.34 0.00 0.37 0.00 0.00 175.52 176.17 3fqe h ALA 583 N 1.60 0.70 -0.10 6.16 0.00 -1.03 -2.12 119.26 124.48 3fqe h ALA 583 Ca 0.34 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3fqe h ALA 583 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fqe h ALA 583 CO -0.57 0.18 0.05 1.98 0.00 0.00 0.00 179.25 180.90 3fqe h MET 584 N 0.74 0.11 -0.49 0.00 -1.53 0.16 -2.75 114.93 111.17 3fqe h MET 584 Ca 0.20 -0.01 -0.09 0.00 -3.44 0.00 0.00 59.70 56.36 3fqe h MET 584 Cb -0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 3fqe h MET 584 CO -0.04 0.07 -0.06 -0.07 0.14 0.00 0.00 176.91 176.96 3fqe h LEU 585 N 0.11 0.84 -1.03 3.39 3.38 -1.00 -2.05 115.31 118.95 3fqe h LEU 585 Ca 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3fqe h LEU 585 Cb 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3fqe h LEU 585 CO -0.03 0.93 0.37 -0.08 0.09 0.00 0.00 178.44 179.73 3fqe h GLU 586 N 0.78 1.06 0.00 1.13 4.81 -1.31 -0.64 114.58 120.40 3fqe h GLU 586 Ca 0.14 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fqe h GLU 586 Cb 0.55 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3fqe h GLU 586 CO 0.03 0.81 0.00 1.63 -0.73 0.00 0.00 179.01 180.75 3fqe n LYS 587 N -4.33 0.02 -0.62 1.92 5.02 -1.05 -4.85 118.16 114.26 3fqe n LYS 587 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3fqe n LYS 587 Cb 0.13 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3fqe n LYS 587 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fqe n GLY 588 N -0.74 0.64 3.83 0.72 0.00 -0.25 -5.07 105.19 104.32 3fqe n GLY 588 Ca 0.02 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 3fqe n GLY 588 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqe s GLU 589 N -1.01 4.10 0.05 1.61 2.02 -0.80 -5.02 118.70 119.66 3fqe s GLU 589 Ca 0.00 0.67 0.02 0.00 0.02 0.00 0.00 54.97 55.68 3fqe s GLU 589 Cb 0.00 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3fqe s GLU 589 CO 0.00 0.43 -0.08 1.03 0.02 0.00 0.00 175.26 176.65 3fqe s ARG 590 N -2.01 0.58 0.40 1.61 1.81 -1.26 -4.10 118.95 115.98 3fqe s ARG 590 Ca 0.41 -0.82 -0.26 0.00 -1.72 0.00 0.00 55.73 53.34 3fqe s ARG 590 Cb -0.16 -0.35 -0.11 0.00 -0.45 0.00 0.00 34.95 33.89 3fqe s ARG 590 CO 0.20 0.06 1.18 -1.33 -0.68 0.00 0.00 175.30 174.73 3fqe n MET 591 N 1.33 1.75 -1.31 3.54 2.81 -1.26 -4.97 117.12 119.01 3fqe n MET 591 Ca -0.22 0.62 -0.30 0.00 -1.81 0.00 0.00 57.70 56.00 3fqe n MET 591 Cb 0.55 -2.24 0.13 0.00 -0.71 0.00 0.00 33.22 30.95 3fqe n MET 591 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3fqe s GLY 592 N -0.56 1.62 0.15 3.03 0.00 -1.26 -4.98 107.32 105.32 3fqe s GLY 592 Ca 0.61 -0.12 -0.31 0.00 0.00 0.00 0.00 44.72 44.90 3fqe s GLY 592 CO 0.58 0.36 1.72 0.00 0.00 0.00 0.00 173.10 175.76 3fqe s PRO 594 N 1.86 3.07 0.21 0.00 0.02 -1.26 -4.94 135.00 133.96 3fqe s PRO 594 Ca 0.76 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 63.16 3fqe s PRO 594 Cb -0.46 -1.96 -0.15 0.00 0.02 0.00 0.00 34.50 31.95 3fqe s PRO 594 CO 0.33 -1.09 1.14 0.00 -0.33 0.00 0.00 177.00 177.05 3fqe n ALA 595 N -1.60 -0.48 -0.76 -1.55 0.00 -1.26 -2.04 120.51 112.82 3fqe n ALA 595 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3fqe n ALA 595 Cb 0.50 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3fqe n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fqe n GLY 596 N 1.84 0.28 3.70 0.00 0.00 -1.26 -4.94 105.19 104.82 3fqe n GLY 596 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fqe n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqe n PRO 598 N 4.60 0.85 -0.12 0.00 -0.02 -1.26 -4.87 135.00 134.18 3fqe n PRO 598 Ca 0.09 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 3fqe n PRO 598 Cb 0.48 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3fqe n PRO 598 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fqe h ARG 599 N 0.24 0.53 0.00 -0.52 2.43 -1.99 -2.68 114.38 112.39 3fqe h ARG 599 Ca -0.49 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 58.54 3fqe h ARG 599 Cb 1.34 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3fqe h ARG 599 CO 0.50 0.52 -0.18 1.05 -1.51 0.00 0.00 179.97 180.36 3fqe h GLU 600 N 0.43 0.00 -0.05 0.20 9.09 -1.99 0.19 114.58 122.46 3fqe h GLU 600 Ca 0.12 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.37 3fqe h GLU 600 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3fqe h GLU 600 CO -0.01 0.18 -0.68 0.52 0.05 0.00 0.00 179.01 179.07 3fqe h MET 601 N 0.00 0.21 -0.09 1.06 2.86 -1.87 -1.48 114.93 115.62 3fqe h MET 601 Ca -0.00 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.29 3fqe h MET 601 Cb 0.35 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3fqe h MET 601 CO 0.02 0.81 -0.71 -0.92 1.06 0.00 0.00 176.91 177.17 3fqe h TYR 602 N 0.15 0.57 -0.51 -0.22 3.20 -0.73 -1.73 116.97 117.69 3fqe h TYR 602 Ca -0.02 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3fqe h TYR 602 Cb 1.21 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3fqe h TYR 602 CO 0.02 1.00 0.33 -0.44 -1.64 0.00 0.00 178.16 177.43 3fqe h ASP 603 N 0.30 0.60 -0.41 -2.11 3.32 -0.59 -1.56 116.42 115.97 3fqe h ASP 603 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3fqe h ASP 603 Cb 1.28 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3fqe h ASP 603 CO 0.12 0.44 0.26 0.25 -1.72 0.00 0.00 179.24 178.59 3fqe h LEU 604 N 0.69 0.48 -0.39 1.55 5.85 -1.16 -1.03 115.31 121.30 3fqe h LEU 604 Ca 0.19 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3fqe h LEU 604 Cb -0.06 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 3fqe h LEU 604 CO -0.04 0.37 -0.18 0.24 -0.34 0.00 0.00 178.44 178.50 3fqe h MET 605 N 0.54 -0.10 -0.58 1.25 2.86 -1.08 -0.10 114.93 117.71 3fqe h MET 605 Ca 0.15 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3fqe h MET 605 Cb -0.03 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3fqe h MET 605 CO -0.03 -0.07 0.18 -0.91 1.06 0.00 0.00 176.91 177.15 3fqe h ASN 606 N -0.10 0.81 -0.55 1.22 2.35 -0.98 -1.50 115.58 116.82 3fqe h ASN 606 Ca 0.19 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fqe h ASN 606 Cb 0.40 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3fqe h ASN 606 CO -0.46 0.76 0.36 0.25 -1.65 0.00 0.00 177.43 176.69 3fqe h LEU 607 N 0.85 0.64 -1.76 1.61 5.85 -0.75 -1.98 115.31 119.77 3fqe h LEU 607 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3fqe h LEU 607 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3fqe h LEU 607 CO -0.01 0.48 0.02 0.00 -0.34 0.00 0.00 178.44 178.58 3fqe n TRP 609 N -4.45 1.10 -1.83 0.00 8.01 -0.63 -3.73 117.44 115.92 3fqe n TRP 609 Ca -0.01 -0.81 -0.42 0.00 -1.31 0.00 0.00 57.50 54.94 3fqe n TRP 609 Cb 0.13 -0.45 -0.03 0.00 -2.01 0.00 0.00 31.31 28.96 3fqe n TRP 609 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3fqe s THR 610 N -1.42 3.28 0.18 -0.99 2.01 -0.77 -4.89 115.64 113.04 3fqe s THR 610 Ca 0.22 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 3fqe s THR 610 Cb 0.18 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 69.52 3fqe s THR 610 CO 0.05 -0.06 1.76 0.22 -0.69 0.00 0.00 174.62 175.89 3fqe h TYR 611 N 10.94 0.33 -3.35 4.92 3.20 -1.91 -3.41 116.97 127.68 3fqe h TYR 611 Ca -0.43 0.02 -0.59 0.00 3.14 0.00 0.00 58.73 60.87 3fqe h TYR 611 Cb 1.21 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 39.31 3fqe h TYR 611 CO 0.93 0.13 0.53 0.34 -1.64 0.00 0.00 178.16 178.44 3fqe s ASP 612 N -5.41 6.78 0.27 -2.11 2.15 -1.26 -4.73 116.67 112.36 3fqe s ASP 612 Ca -0.13 0.87 -0.00 0.00 0.43 0.00 0.00 52.55 53.72 3fqe s ASP 612 Cb 0.14 -2.45 0.54 0.00 -0.30 0.00 0.00 42.92 40.85 3fqe s ASP 612 CO 0.73 -0.65 1.78 0.58 -0.17 0.00 0.00 175.17 177.44 3fqe h VAL 613 N 5.58 0.78 -0.60 1.11 2.07 -1.95 -2.22 116.25 121.02 3fqe h VAL 613 Ca -0.23 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.16 3fqe h VAL 613 Cb 1.09 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 3fqe h VAL 613 CO 0.92 0.13 0.09 -0.33 0.02 0.00 0.00 177.57 178.40 3fqe h GLU 614 N 0.73 0.21 -0.01 1.57 4.39 -1.95 -2.72 114.58 116.79 3fqe h GLU 614 Ca 0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3fqe h GLU 614 Cb 0.62 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3fqe h GLU 614 CO -0.33 0.14 -0.31 0.09 -1.16 0.00 0.00 179.01 177.43 3fqe n ASN 615 N -5.17 1.56 -4.76 1.42 3.02 -0.88 -4.91 115.26 105.54 3fqe n ASN 615 Ca 0.09 -1.24 -0.40 0.00 -0.03 0.00 0.00 54.58 53.00 3fqe n ASN 615 Cb 0.34 0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 3fqe n ASN 615 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3fqe s ARG 616 N -2.43 4.48 0.66 3.52 3.52 -0.91 -5.00 118.95 122.79 3fqe s ARG 616 Ca 0.23 1.90 -0.15 0.00 -0.13 0.00 0.00 55.73 57.58 3fqe s ARG 616 Cb 0.19 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3fqe s ARG 616 CO 0.52 0.04 1.12 -1.25 -0.81 0.00 0.00 175.30 174.91 3fqe s PRO 617 N -1.67 2.78 0.79 5.12 0.04 -1.26 -5.00 135.00 135.79 3fqe s PRO 617 Ca 0.47 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 3fqe s PRO 617 Cb -0.33 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.39 3fqe s PRO 617 CO 0.43 -1.27 1.09 0.20 0.04 0.00 0.00 177.00 177.50 3fqe s GLY 618 N -2.53 1.76 0.39 0.56 0.00 -1.26 -4.81 107.32 101.43 3fqe s GLY 618 Ca 0.67 -1.40 0.14 0.00 0.00 0.00 0.00 44.72 44.14 3fqe s GLY 618 CO 0.41 -0.81 1.87 0.74 0.00 0.00 0.00 173.10 175.31 3fqe h PHE 619 N -0.87 0.00 -0.17 1.90 -1.00 -1.91 -2.36 116.94 112.54 3fqe h PHE 619 Ca -0.41 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.43 3fqe h PHE 619 Cb 1.27 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.76 3fqe h PHE 619 CO -0.38 0.32 -0.28 0.00 -1.61 0.00 0.00 178.31 176.37 3fqe h ALA 620 N 1.68 -0.26 -0.50 2.45 0.00 -1.92 0.70 119.26 121.41 3fqe h ALA 620 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fqe h ALA 620 Cb 0.59 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3fqe h ALA 620 CO 0.04 -0.73 0.31 0.00 0.00 0.00 0.00 179.25 178.87 3fqe h ALA 621 N 0.60 0.63 -0.11 0.00 0.00 -1.91 -1.09 119.26 117.38 3fqe h ALA 621 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fqe h ALA 621 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fqe h ALA 621 CO -0.36 0.11 0.04 0.28 0.00 0.00 0.00 179.25 179.32 3fqe h VAL 622 N 0.67 1.17 -0.65 0.00 2.07 -0.94 -1.80 116.25 116.76 3fqe h VAL 622 Ca 0.18 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3fqe h VAL 622 Cb -0.02 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3fqe h VAL 622 CO -0.03 0.15 0.31 -0.08 0.02 0.00 0.00 177.57 177.94 3fqe h GLU 623 N -0.00 0.94 -0.35 1.57 4.22 0.44 -1.45 114.58 119.95 3fqe h GLU 623 Ca 0.04 -0.14 0.02 0.00 0.08 0.00 0.00 59.36 59.35 3fqe h GLU 623 Cb 0.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3fqe h GLU 623 CO -0.00 0.75 0.20 1.25 -2.18 0.00 0.00 179.01 179.03 3fqe h LEU 624 N 0.90 0.31 -1.01 1.64 5.85 -1.09 0.14 115.31 122.06 3fqe h LEU 624 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3fqe h LEU 624 Cb 0.12 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3fqe h LEU 624 CO -0.03 0.23 0.32 -0.09 -0.34 0.00 0.00 178.44 178.53 3fqe h ARG 625 N 0.40 1.03 -0.10 1.25 2.43 -1.12 -1.46 114.38 116.80 3fqe h ARG 625 Ca 0.14 -0.15 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 3fqe h ARG 625 Cb 0.01 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3fqe h ARG 625 CO -0.07 0.81 -0.81 -0.07 -1.51 0.00 0.00 179.97 178.32 3fqe h LEU 626 N 1.01 0.79 0.03 3.80 3.38 -0.85 -2.38 115.31 121.09 3fqe h LEU 626 Ca 0.24 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3fqe h LEU 626 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3fqe h LEU 626 CO -0.03 1.33 -0.06 -0.09 0.09 0.00 0.00 178.44 179.68 3fqe h ARG 627 N 0.43 -0.12 -0.53 1.13 2.43 -0.47 -1.45 114.38 115.80 3fqe h ARG 627 Ca -0.06 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3fqe h ARG 627 Cb 1.43 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 3fqe h ARG 627 CO 0.16 -0.08 0.11 -0.91 -1.51 0.00 0.00 179.97 177.73 3fqe h ASN 628 N -0.13 0.82 -0.42 -3.80 2.35 -1.32 -2.46 115.58 110.63 3fqe h ASN 628 Ca 0.02 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 3fqe h ASN 628 Cb 0.14 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3fqe h ASN 628 CO -0.05 0.86 -0.01 0.22 -1.65 0.00 0.00 177.43 176.80 3fqe h TYR 629 N 0.75 0.88 -0.18 1.19 3.20 -1.34 -2.10 116.97 119.37 3fqe h TYR 629 Ca 0.16 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3fqe h TYR 629 Cb 0.37 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3fqe h TYR 629 CO 0.03 0.81 0.00 -0.92 -1.64 0.00 0.00 178.16 176.44 3fqe h TYR 630 N 0.77 0.26 -0.12 -3.82 3.20 -1.14 -2.44 116.97 113.68 3fqe h TYR 630 Ca 0.15 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 3fqe h TYR 630 Cb 0.47 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3fqe h TYR 630 CO 0.03 0.28 -0.64 1.88 -1.64 0.00 0.00 178.16 178.06 3fqe h TYR 631 N 0.26 0.58 -0.72 -3.82 0.05 -0.90 -1.66 116.97 110.76 3fqe h TYR 631 Ca 0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 3fqe h TYR 631 Cb 0.18 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3fqe h TYR 631 CO 0.00 0.96 0.32 -0.44 -1.05 0.00 0.00 178.16 177.96 3fqe h ASP 632 N 0.32 0.96 0.31 3.88 5.19 -1.31 -1.82 116.42 123.97 3fqe h ASP 632 Ca -0.01 -0.15 -0.18 0.00 -0.62 0.00 0.00 57.03 56.07 3fqe h ASP 632 Cb 1.20 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 3fqe h ASP 632 CO 0.11 0.85 -0.71 0.58 -3.12 0.00 0.00 179.24 176.95 3fqe h VAL 633 N 1.02 1.39 -0.34 -1.35 2.07 -1.33 0.50 116.25 118.21 3fqe h VAL 633 Ca 0.24 -2.15 -0.15 0.00 0.82 0.00 0.00 66.70 65.46 3fqe h VAL 633 Cb 0.16 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3fqe h VAL 633 CO -0.03 0.64 -0.40 0.58 0.02 0.00 0.00 177.57 178.38 3fqe h VAL 634 N 0.24 1.28 -0.52 2.57 2.07 -1.28 -2.25 116.25 118.36 3fqe h VAL 634 Ca -0.03 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 3fqe h VAL 634 Cb 1.27 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3fqe h VAL 634 CO 0.12 0.52 0.13 -1.13 0.02 0.00 0.00 177.57 177.23 3fqe h ASN 635 N 0.67 0.79 -0.09 0.57 -1.24 -1.19 -2.96 115.58 112.13 3fqe h ASN 635 Ca 0.05 -0.23 0.03 0.00 0.71 0.00 0.00 56.30 56.86 3fqe h ASN 635 Cb 0.97 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.78 3fqe h ASN 635 CO 0.09 0.81 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.84 3fqe h GLU 636 N 0.72 -0.16 -0.56 6.67 4.81 -0.83 -1.71 114.58 123.52 3fqe h GLU 636 Ca 0.16 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 3fqe h GLU 636 Cb 0.33 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 3fqe h GLU 636 CO 0.00 -0.11 0.13 0.78 -0.73 0.00 0.00 179.01 179.08 3fqe h GLY 637 N -0.16 0.71 1.36 1.92 0.00 -1.36 -1.23 103.07 104.30 3fqe h GLY 637 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3fqe h GLY 637 CO -0.19 -0.09 0.09 0.45 0.00 0.00 0.00 176.54 176.80 3fqe h HIS 638 N 0.26 0.83 0.00 5.60 3.86 -1.35 -3.52 115.15 120.84 3fqe h HIS 638 Ca 0.29 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3fqe h HIS 638 Cb 0.41 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3fqe h HIS 638 CO -0.23 0.72 0.00 0.72 0.86 0.00 0.00 177.93 180.00