#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg1 s HIS 373 N 0.00 3.24 0.15 -1.40 0.09 -1.26 -0.57 115.29 115.54 3fg1 s HIS 373 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 55.06 55.18 3fg1 s HIS 373 Cb 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 32.58 30.94 3fg1 s HIS 373 CO 0.00 0.53 -0.13 0.00 -0.00 0.00 0.00 174.74 175.13 3fg1 s ALA 374 N -1.58 1.64 -0.19 -1.40 0.00 0.21 -4.54 121.76 115.90 3fg1 s ALA 374 Ca 0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 3fg1 s ALA 374 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3fg1 s ALA 374 CO 0.24 0.05 0.01 0.42 0.00 0.00 0.00 175.76 176.48 3fg1 s ILE 375 N -2.62 4.12 -0.20 0.00 -1.09 -1.26 -1.81 121.20 118.34 3fg1 s ILE 375 Ca 0.14 -0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.27 3fg1 s ILE 375 Cb -0.02 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3fg1 s ILE 375 CO 0.04 0.45 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.81 3fg1 s TYR 376 N 0.75 2.93 -0.28 3.97 1.51 0.73 -0.58 117.35 126.38 3fg1 s TYR 376 Ca 0.00 -0.87 -0.20 0.00 -1.01 0.00 0.00 57.07 55.00 3fg1 s TYR 376 Cb -0.14 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3fg1 s TYR 376 CO 0.02 -0.46 0.61 -0.80 -1.11 0.00 0.00 175.55 173.82 3fg1 s ASN 377 N 1.17 6.53 -0.15 2.29 0.01 0.55 -1.19 114.94 124.14 3fg1 s ASN 377 Ca 0.02 0.57 -0.00 0.00 -0.71 0.00 0.00 52.86 52.74 3fg1 s ASN 377 Cb -0.14 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 3fg1 s ASN 377 CO -0.02 -0.40 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.34 3fg1 s VAL 378 N 2.52 2.80 -0.14 1.60 1.01 -0.01 -1.47 120.40 126.70 3fg1 s VAL 378 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3fg1 s VAL 378 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3fg1 s VAL 378 CO 0.10 0.51 -0.18 -0.70 0.00 0.00 0.00 175.10 174.83 3fg1 s GLU 379 N 0.76 3.16 -0.12 2.72 2.12 -0.16 -0.40 118.70 126.78 3fg1 s GLU 379 Ca -0.06 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3fg1 s GLU 379 Cb -0.15 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 3fg1 s GLU 379 CO 0.01 0.05 -0.16 0.08 -0.54 0.00 0.00 175.26 174.69 3fg1 s VAL 380 N 0.71 2.74 -0.30 3.70 1.01 -0.10 -0.77 120.40 127.39 3fg1 s VAL 380 Ca -0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3fg1 s VAL 380 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3fg1 s VAL 380 CO 0.01 0.54 0.11 -1.61 0.00 0.00 0.00 175.10 174.14 3fg1 s GLU 381 N 0.33 3.16 -0.03 2.72 2.02 -0.00 -1.21 118.70 125.68 3fg1 s GLU 381 Ca -0.13 -0.82 -0.15 0.00 0.02 0.00 0.00 54.97 53.89 3fg1 s GLU 381 Cb -0.17 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 3fg1 s GLU 381 CO 0.07 -0.44 0.39 0.99 0.02 0.00 0.00 175.26 176.29 3fg1 s THR 382 N 1.54 5.10 0.77 3.63 2.01 -0.31 -0.21 115.64 128.16 3fg1 s THR 382 Ca 0.03 0.79 -0.14 0.00 0.31 0.00 0.00 61.69 62.68 3fg1 s THR 382 Cb -0.17 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.70 3fg1 s THR 382 CO 0.04 0.54 1.20 -0.83 -0.69 0.00 0.00 174.62 174.88 3fg1 s GLY 383 N -0.75 2.23 0.00 4.40 0.00 0.39 -1.94 107.32 111.65 3fg1 s GLY 383 Ca 0.23 0.84 0.29 0.00 0.00 0.00 0.00 44.72 46.07 3fg1 s GLY 383 CO 0.12 1.25 1.91 1.22 0.00 0.00 0.00 173.10 177.59 3fg1 n ASP 384 N -3.03 0.20 -4.75 1.64 8.00 -1.26 -1.09 116.55 116.26 3fg1 n ASP 384 Ca 0.13 -0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 3fg1 n ASP 384 Cb 0.50 -0.21 0.08 0.00 -0.02 0.00 0.00 41.12 41.47 3fg1 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ARG 385 N -2.67 2.38 0.24 -1.24 1.70 -1.26 -4.67 118.95 113.44 3fg1 s ARG 385 Ca 0.24 1.49 -0.31 0.00 -0.47 0.00 0.00 55.73 56.68 3fg1 s ARG 385 Cb 0.20 -1.89 -0.13 0.00 -0.57 0.00 0.00 34.95 32.55 3fg1 s ARG 385 CO 0.50 -1.59 1.42 -1.91 -1.08 0.00 0.00 175.30 172.64 3fg1 n GLU 386 N -2.79 2.07 -1.10 3.89 2.13 -1.26 -1.37 120.64 122.20 3fg1 n GLU 386 Ca 0.11 0.74 -0.04 0.00 0.66 0.00 0.00 57.16 58.63 3fg1 n GLU 386 Cb 0.52 -2.40 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 3fg1 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg1 n HIS 387 N 1.93 0.00 0.26 4.31 8.25 -1.26 -4.66 115.22 124.04 3fg1 n HIS 387 Ca 0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.65 3fg1 n HIS 387 Cb 0.32 -1.67 0.63 0.00 1.12 0.00 0.00 29.99 30.39 3fg1 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg1 h ALA 388 N 0.00 1.89 -2.36 -1.41 0.00 -1.50 -3.43 119.26 112.45 3fg1 h ALA 388 Ca -0.07 -0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.34 3fg1 h ALA 388 Cb 0.75 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.67 3fg1 h ALA 388 CO 0.11 0.05 0.34 0.20 0.00 0.00 0.00 179.25 179.95 3fg1 s GLY 389 N -4.10 1.63 -0.01 0.00 0.00 -1.26 -0.53 107.32 103.05 3fg1 s GLY 389 Ca -0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.78 3fg1 s GLY 389 CO 0.66 -0.14 0.27 -1.08 0.00 0.00 0.00 173.10 172.81 3fg1 s THR 390 N -3.48 0.07 -0.46 0.90 -1.32 -0.52 -4.52 115.64 106.30 3fg1 s THR 390 Ca 0.67 -0.54 0.13 0.00 -1.21 0.00 0.00 61.69 60.73 3fg1 s THR 390 Cb -0.11 -0.58 0.38 0.00 -1.51 0.00 0.00 72.50 70.68 3fg1 s THR 390 CO 0.52 -0.30 1.30 -0.90 -2.21 0.00 0.00 174.62 173.04 3fg1 n ASP 391 N 1.28 3.24 -4.73 8.08 5.75 -1.26 -4.02 116.55 124.89 3fg1 n ASP 391 Ca -0.22 -2.54 -0.33 0.00 -0.01 0.00 0.00 54.79 51.69 3fg1 n ASP 391 Cb 0.56 -0.37 0.09 0.00 -1.03 0.00 0.00 41.12 40.37 3fg1 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg1 s ALA 392 N -1.96 2.16 -0.09 2.12 0.00 -1.26 -4.78 121.76 117.95 3fg1 s ALA 392 Ca 0.31 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3fg1 s ALA 392 Cb 0.22 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3fg1 s ALA 392 CO 0.10 -1.78 1.10 0.99 0.00 0.00 0.00 175.76 176.17 3fg1 s THR 393 N -2.24 4.53 -0.07 0.00 2.01 -1.26 -4.93 115.64 113.68 3fg1 s THR 393 Ca 0.70 1.83 0.02 0.00 0.31 0.00 0.00 61.69 64.54 3fg1 s THR 393 Cb -0.25 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 3fg1 s THR 393 CO 0.46 -0.01 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 3fg1 s ILE 394 N 2.22 3.38 0.15 1.82 -1.09 -1.26 -1.94 121.20 124.47 3fg1 s ILE 394 Ca 0.52 -0.59 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 3fg1 s ILE 394 Cb -0.21 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3fg1 s ILE 394 CO 0.19 0.58 -0.14 0.42 -1.23 0.00 0.00 174.94 174.75 3fg1 s THR 395 N -0.57 1.49 -0.01 2.92 -4.23 -0.39 -1.48 115.64 113.37 3fg1 s THR 395 Ca 0.08 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.75 3fg1 s THR 395 Cb -0.12 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3fg1 s THR 395 CO 0.02 -0.48 -0.20 -0.51 -0.54 0.00 0.00 174.62 172.91 3fg1 s ILE 396 N -2.45 1.62 -0.09 2.99 2.07 0.03 -1.15 121.20 124.22 3fg1 s ILE 396 Ca 0.14 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.50 3fg1 s ILE 396 Cb -0.03 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 3fg1 s ILE 396 CO 0.04 0.43 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.73 3fg1 s ARG 397 N -0.55 2.92 -0.15 3.50 3.52 -0.07 -0.70 118.95 127.42 3fg1 s ARG 397 Ca 0.08 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3fg1 s ARG 397 Cb -0.08 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 3fg1 s ARG 397 CO -0.01 0.37 -0.07 0.42 -0.81 0.00 0.00 175.30 175.20 3fg1 s ILE 398 N -0.08 3.56 -0.10 4.11 1.01 -1.26 -1.01 121.20 127.44 3fg1 s ILE 398 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3fg1 s ILE 398 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3fg1 s ILE 398 CO 0.04 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.42 3fg1 s THR 399 N 0.49 2.77 0.00 2.92 2.01 -0.16 -1.08 115.64 122.61 3fg1 s THR 399 Ca -0.05 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3fg1 s THR 399 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.25 3fg1 s THR 399 CO 0.03 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3fg1 n GLY 400 N 3.15 3.42 0.25 4.40 0.00 -0.16 0.39 105.19 116.65 3fg1 n GLY 400 Ca -0.18 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.63 3fg1 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 401 N 1.46 1.92 -0.26 4.61 0.00 -0.38 -2.87 119.26 123.75 3fg1 h ALA 401 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fg1 h ALA 401 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fg1 h ALA 401 CO 0.00 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.93 3fg1 n LYS 402 N -4.48 2.12 -0.78 0.00 5.02 0.46 -5.02 118.16 115.48 3fg1 n LYS 402 Ca -0.03 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.29 3fg1 n LYS 402 Cb 0.12 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3fg1 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg1 n GLY 403 N 1.15 0.67 3.01 0.72 0.00 -1.08 -4.88 105.19 104.77 3fg1 n GLY 403 Ca 0.15 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 3fg1 n GLY 403 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg1 s ARG 404 N -2.00 0.65 0.91 1.61 0.52 -1.26 -0.98 118.95 118.40 3fg1 s ARG 404 Ca 0.00 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 3fg1 s ARG 404 Cb 0.00 -0.62 0.14 0.00 0.52 0.00 0.00 34.95 34.99 3fg1 s ARG 404 CO 0.00 0.17 1.09 0.95 0.02 0.00 0.00 175.30 177.53 3fg1 s THR 405 N -0.28 2.59 1.18 0.02 -4.23 -0.24 -4.92 115.64 109.76 3fg1 s THR 405 Ca 0.02 0.19 -0.17 0.00 -1.18 0.00 0.00 61.69 60.55 3fg1 s THR 405 Cb -0.04 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.44 3fg1 s THR 405 CO -0.00 -0.25 1.06 -1.81 -0.54 0.00 0.00 174.62 173.08 3fg1 s ASP 406 N -3.35 1.01 -0.26 3.99 1.01 -1.26 -4.60 116.67 113.20 3fg1 s ASP 406 Ca 0.64 0.95 -0.29 0.00 0.71 0.00 0.00 52.55 54.56 3fg1 s ASP 406 Cb -0.18 -1.43 0.00 0.00 1.01 0.00 0.00 42.92 42.32 3fg1 s ASP 406 CO 0.57 -4.10 1.16 -0.31 0.21 0.00 0.00 175.17 172.70 3fg1 s TYR 407 N -2.78 3.01 -0.14 4.23 1.51 -1.26 -4.54 117.35 117.38 3fg1 s TYR 407 Ca 0.69 1.13 -0.09 0.00 -1.01 0.00 0.00 57.07 57.79 3fg1 s TYR 407 Cb -0.15 -3.61 -0.04 0.00 -0.11 0.00 0.00 41.96 38.04 3fg1 s TYR 407 CO 0.58 -1.14 0.16 -0.51 -1.11 0.00 0.00 175.55 173.53 3fg1 s LEU 408 N 3.69 4.33 0.14 -1.29 1.43 0.13 -4.83 118.68 122.28 3fg1 s LEU 408 Ca 0.50 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.72 3fg1 s LEU 408 Cb -0.16 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 3fg1 s LEU 408 CO 0.15 0.32 1.53 -0.54 0.23 0.00 0.00 176.35 178.03 3fg1 s LYS 409 N -0.53 4.24 -0.86 1.70 3.01 -1.26 -0.79 119.74 125.25 3fg1 s LYS 409 Ca 0.14 2.27 -0.05 0.00 -1.01 0.00 0.00 55.97 57.32 3fg1 s LYS 409 Cb -0.12 -3.24 0.22 0.00 -1.01 0.00 0.00 37.83 33.68 3fg1 s LYS 409 CO 0.03 -0.58 0.76 -0.51 0.51 0.00 0.00 175.35 175.56 3fg1 s LEU 410 N 1.33 5.82 -0.42 3.17 1.43 -0.55 -4.92 118.68 124.55 3fg1 s LEU 410 Ca 0.69 -3.33 0.06 0.00 -1.03 0.00 0.00 54.13 50.52 3fg1 s LEU 410 Cb -0.41 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.01 3fg1 s LEU 410 CO 0.31 -0.31 0.47 -0.67 0.23 0.00 0.00 176.35 176.38 3fg1 n ASP 411 N 2.94 -0.61 -3.07 2.29 2.03 -1.26 -4.37 116.55 114.49 3fg1 n ASP 411 Ca 0.17 -2.58 0.03 0.00 0.52 0.00 0.00 54.79 52.93 3fg1 n ASP 411 Cb 0.39 -0.28 -0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3fg1 n ASP 411 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3fg1 s LYS 412 N -0.31 0.40 0.32 -0.67 2.20 -1.26 -5.12 119.74 115.29 3fg1 s LYS 412 Ca 0.33 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 3fg1 s LYS 412 Cb 0.10 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3fg1 s LYS 412 CO -0.16 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 3fg1 n GLY 413 N 4.67 -2.50 3.99 5.54 0.00 -1.26 -4.98 105.19 110.65 3fg1 n GLY 413 Ca 0.08 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 3fg1 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 414 N -2.58 5.69 -0.70 1.61 1.04 -1.26 -5.07 113.70 112.43 3fg1 s SER 414 Ca 0.00 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.34 3fg1 s SER 414 Cb 0.00 -1.03 0.17 0.00 0.10 0.00 0.00 66.02 65.26 3fg1 s SER 414 CO 0.00 -0.75 0.50 -0.36 0.98 0.00 0.00 173.24 173.61 3fg1 s PHE 418 N -2.44 3.55 0.50 5.02 2.99 -1.26 -4.97 117.98 121.37 3fg1 s PHE 418 Ca 0.51 -3.23 -0.05 0.00 0.00 0.00 0.00 56.93 54.17 3fg1 s PHE 418 Cb -0.10 -2.85 -0.03 0.00 0.00 0.00 0.00 43.02 40.04 3fg1 s PHE 418 CO 0.35 -0.63 0.80 -1.21 -0.00 0.00 0.00 175.22 174.53 3fg1 s GLU 419 N -1.15 3.42 0.18 0.44 0.41 -1.26 -1.44 118.70 119.30 3fg1 s GLU 419 Ca 0.23 0.15 -0.33 0.00 -0.41 0.00 0.00 54.97 54.61 3fg1 s GLU 419 Cb -0.10 -2.36 -0.14 0.00 -1.78 0.00 0.00 34.13 29.75 3fg1 s GLU 419 CO -0.12 -0.30 1.49 0.00 -0.49 0.00 0.00 175.26 175.84 3fg1 n ALA 420 N -2.32 1.03 -0.98 5.21 0.00 -1.26 -1.82 120.51 120.38 3fg1 n ALA 420 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3fg1 n ALA 420 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3fg1 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg1 n GLY 421 N 2.89 1.05 3.82 0.00 0.00 -0.25 -4.83 105.19 107.87 3fg1 n GLY 421 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3fg1 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 422 N -3.02 6.45 -0.24 1.61 1.04 -0.76 -4.78 113.70 114.00 3fg1 s SER 422 Ca 0.00 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.17 3fg1 s SER 422 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3fg1 s SER 422 CO 0.00 -0.70 -0.09 -0.54 0.98 0.00 0.00 173.24 172.89 3fg1 s LYS 423 N -3.71 2.03 -0.03 4.02 3.01 -1.26 -1.17 119.74 122.64 3fg1 s LYS 423 Ca 0.62 -1.17 0.07 0.00 -1.01 0.00 0.00 55.97 54.48 3fg1 s LYS 423 Cb -0.12 -2.74 -0.02 0.00 -1.01 0.00 0.00 37.83 33.93 3fg1 s LYS 423 CO 0.26 -0.56 -0.23 -1.21 0.51 0.00 0.00 175.35 174.12 3fg1 s GLU 424 N 1.23 2.19 0.01 1.68 0.41 -0.35 -4.94 118.70 118.93 3fg1 s GLU 424 Ca -0.07 -0.88 0.07 0.00 -0.41 0.00 0.00 54.97 53.68 3fg1 s GLU 424 Cb -0.19 -2.11 -0.03 0.00 -1.78 0.00 0.00 34.13 30.02 3fg1 s GLU 424 CO -0.06 0.57 -0.21 -0.65 -0.49 0.00 0.00 175.26 174.43 3fg1 s GLN 425 N -0.64 2.12 0.02 1.61 -0.21 -1.26 -0.93 119.66 120.37 3fg1 s GLN 425 Ca 0.10 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.55 3fg1 s GLN 425 Cb -0.10 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 3fg1 s GLN 425 CO -0.01 0.56 -0.03 0.71 -2.12 0.00 0.00 175.29 174.40 3fg1 s TYR 426 N -0.79 0.25 -0.17 0.91 1.51 0.47 -5.01 117.35 114.52 3fg1 s TYR 426 Ca 0.12 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3fg1 s TYR 426 Cb -0.10 -0.18 0.04 0.00 -0.11 0.00 0.00 41.96 41.61 3fg1 s TYR 426 CO 0.02 -0.15 -0.07 0.99 -1.11 0.00 0.00 175.55 175.23 3fg1 s THR 427 N -1.20 1.28 0.05 -0.71 2.01 -1.26 -0.83 115.64 114.98 3fg1 s THR 427 Ca -0.13 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3fg1 s THR 427 Cb -0.08 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3fg1 s THR 427 CO -0.01 0.16 -0.19 0.68 -0.69 0.00 0.00 174.62 174.57 3fg1 s VAL 428 N 1.56 1.56 -0.06 3.82 -7.23 -0.33 -4.97 120.40 114.76 3fg1 s VAL 428 Ca 0.00 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 3fg1 s VAL 428 Cb -0.15 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3fg1 s VAL 428 CO -0.08 0.15 0.11 -1.58 -0.31 0.00 0.00 175.10 173.39 3fg1 s GLN 429 N -1.23 3.27 0.23 4.82 0.74 -1.26 -0.19 119.66 126.04 3fg1 s GLN 429 Ca 0.06 -0.31 -0.15 0.00 0.05 0.00 0.00 55.36 55.01 3fg1 s GLN 429 Cb -0.09 -3.02 0.06 0.00 1.10 0.00 0.00 33.01 31.06 3fg1 s GLN 429 CO 0.02 0.71 0.77 0.41 -0.55 0.00 0.00 175.29 176.65 3fg1 n GLY 430 N 1.54 0.90 3.67 2.59 0.00 -0.75 -4.99 105.19 108.15 3fg1 n GLY 430 Ca -0.16 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 3fg1 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fg1 n PHE 431 N -0.53 2.19 -2.09 1.61 -0.00 -1.26 -0.62 117.46 116.76 3fg1 n PHE 431 Ca -0.04 0.38 -0.43 0.00 -0.00 0.00 0.00 57.45 57.36 3fg1 n PHE 431 Cb 0.49 -2.49 -0.03 0.00 -0.00 0.00 0.00 39.48 37.45 3fg1 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg1 s ASP 432 N 0.54 6.23 0.00 -2.13 2.15 0.27 -4.53 116.67 119.20 3fg1 s ASP 432 Ca 0.73 1.49 0.25 0.00 0.43 0.00 0.00 52.55 55.45 3fg1 s ASP 432 Cb -0.67 -2.53 0.76 0.00 -0.30 0.00 0.00 42.92 40.17 3fg1 s ASP 432 CO 0.45 -1.40 1.57 1.33 -0.17 0.00 0.00 175.17 176.95 3fg1 n VAL 433 N 6.74 0.11 -4.44 1.11 0.24 -1.26 -4.73 118.33 116.09 3fg1 n VAL 433 Ca 0.20 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3fg1 n VAL 433 Cb 0.46 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3fg1 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg1 n GLY 434 N 1.23 1.05 3.69 7.63 0.00 -1.26 -0.40 105.19 117.12 3fg1 n GLY 434 Ca 0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3fg1 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg1 s ASP 435 N -4.00 6.47 0.02 1.61 2.15 -1.26 -4.71 116.67 116.95 3fg1 s ASP 435 Ca 0.00 2.69 -0.30 0.00 0.43 0.00 0.00 52.55 55.37 3fg1 s ASP 435 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 3fg1 s ASP 435 CO 0.00 -0.98 1.05 -0.63 -0.17 0.00 0.00 175.17 174.45 3fg1 s ILE 436 N 2.74 4.60 -0.06 4.11 1.01 -1.26 -1.77 121.20 130.56 3fg1 s ILE 436 Ca 0.79 1.87 0.11 0.00 0.00 0.00 0.00 60.65 63.42 3fg1 s ILE 436 Cb -0.44 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.67 3fg1 s ILE 436 CO 0.35 0.14 0.15 0.00 0.00 0.00 0.00 174.94 175.58 3fg1 n GLN 437 N 3.94 1.28 -3.57 2.79 6.02 0.16 -4.95 117.38 123.05 3fg1 n GLN 437 Ca 0.07 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 3fg1 n GLN 437 Cb 0.49 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 3fg1 n GLN 437 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fg1 s LEU 438 N -4.31 -0.47 0.22 1.08 0.20 -1.05 -4.44 118.68 109.92 3fg1 s LEU 438 Ca -0.05 0.56 0.03 0.00 0.69 0.00 0.00 54.13 55.36 3fg1 s LEU 438 Cb 0.05 2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 47.83 3fg1 s LEU 438 CO 0.47 -0.40 0.00 0.27 -0.29 0.00 0.00 176.35 176.41 3fg1 s ILE 439 N -0.97 0.93 -0.01 6.68 -4.36 -0.84 -0.98 121.20 121.64 3fg1 s ILE 439 Ca -0.04 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3fg1 s ILE 439 Cb -0.01 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.39 3fg1 s ILE 439 CO 0.03 -0.33 0.03 -1.61 0.24 0.00 0.00 174.94 173.30 3fg1 s GLU 440 N -3.88 0.03 -0.06 0.37 2.02 -0.18 -0.19 118.70 116.80 3fg1 s GLU 440 Ca 0.28 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.34 3fg1 s GLU 440 Cb 0.06 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 3fg1 s GLU 440 CO 0.08 -0.03 -0.06 -0.51 0.02 0.00 0.00 175.26 174.77 3fg1 s LEU 441 N 0.17 3.24 -0.04 1.80 1.43 0.31 -0.89 118.68 124.70 3fg1 s LEU 441 Ca -0.01 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3fg1 s LEU 441 Cb -0.02 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 3fg1 s LEU 441 CO -0.00 0.36 -0.15 -2.28 0.23 0.00 0.00 176.35 174.50 3fg1 s HIS 442 N -0.84 1.55 -0.07 0.29 5.65 -0.30 -0.97 115.29 120.59 3fg1 s HIS 442 Ca 0.13 -0.44 0.04 0.00 0.25 0.00 0.00 55.06 55.04 3fg1 s HIS 442 Cb -0.11 -1.06 -0.02 0.00 -1.18 0.00 0.00 32.58 30.22 3fg1 s HIS 442 CO 0.02 -0.16 -0.19 0.45 -0.65 0.00 0.00 174.74 174.21 3fg1 s SER 443 N 0.10 3.56 0.00 9.88 0.15 0.24 -1.27 113.70 126.37 3fg1 s SER 443 Ca -0.04 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 56.52 3fg1 s SER 443 Cb -0.11 -1.00 1.62 0.00 -1.71 0.00 0.00 66.02 64.82 3fg1 s SER 443 CO 0.02 0.26 2.05 -0.90 1.20 0.00 0.00 173.24 175.87 3fg1 n ASP 444 N 2.86 0.00 0.00 5.45 5.75 -0.82 -4.65 116.55 125.15 3fg1 n ASP 444 Ca -0.17 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 3fg1 n ASP 444 Cb 0.52 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3fg1 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg1 n GLY 445 N 0.97 0.56 0.00 6.12 0.00 -1.26 -4.90 105.19 106.68 3fg1 n GLY 445 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3fg1 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 446 N -2.85 -1.08 0.00 -0.02 0.00 -1.26 -4.72 105.19 95.26 3fg1 n GLY 446 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3fg1 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 447 N -0.85 1.00 0.37 -0.02 0.00 -1.26 -4.92 105.19 99.50 3fg1 n GLY 447 Ca 0.00 -1.98 0.16 0.00 0.00 0.00 0.00 46.02 44.20 3fg1 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg1 h TYR 448 N -0.28 0.91 -0.17 1.61 5.03 -2.03 -2.44 116.97 119.59 3fg1 h TYR 448 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fg1 h TYR 448 Cb 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.01 3fg1 h TYR 448 CO 0.00 0.16 0.00 0.91 -1.32 0.00 0.00 178.16 177.91 3fg1 n TRP 449 N -4.72 0.22 -2.52 -3.82 7.02 -1.26 -4.94 117.44 107.43 3fg1 n TRP 449 Ca 0.24 -0.11 -0.42 0.00 -1.02 0.00 0.00 57.50 56.19 3fg1 n TRP 449 Cb 0.68 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.53 3fg1 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg1 s SER 450 N -1.57 7.20 -0.15 -0.99 0.01 -0.92 -4.97 113.70 112.30 3fg1 s SER 450 Ca 0.33 1.95 -0.15 0.00 1.31 0.00 0.00 55.95 59.39 3fg1 s SER 450 Cb 0.18 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.70 3fg1 s SER 450 CO 0.27 -0.35 0.17 1.23 0.41 0.00 0.00 173.24 174.97 3fg1 h GLY 451 N 6.31 0.00 -6.32 3.44 0.00 -1.92 -3.45 103.07 101.13 3fg1 h GLY 451 Ca -0.42 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.32 3fg1 h GLY 451 CO 0.77 0.00 -0.97 1.34 0.00 0.00 0.00 176.54 177.68 3fg1 n ASP 452 N -4.59 0.05 0.32 0.19 2.03 -1.26 -5.00 116.55 108.29 3fg1 n ASP 452 Ca -0.14 -2.54 0.20 0.00 0.52 0.00 0.00 54.79 52.83 3fg1 n ASP 452 Cb 0.38 -0.59 1.10 0.00 -0.72 0.00 0.00 41.12 41.29 3fg1 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg1 h PRO 453 N 5.17 0.00 -6.76 -0.67 0.13 -1.86 -3.44 132.00 124.57 3fg1 h PRO 453 Ca 0.21 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.77 3fg1 h PRO 453 Cb 0.88 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.13 3fg1 h PRO 453 CO 0.43 0.01 0.43 -0.25 -0.23 0.00 0.00 178.00 178.39 3fg1 n ASP 454 N -3.31 2.37 -3.88 1.44 10.43 -1.26 -4.65 116.55 117.69 3fg1 n ASP 454 Ca -0.03 1.14 -0.24 0.00 2.57 0.00 0.00 54.79 58.23 3fg1 n ASP 454 Cb 0.09 -1.46 -0.17 0.00 1.84 0.00 0.00 41.12 41.42 3fg1 n ASP 454 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fg1 s TRP 455 N -1.17 1.13 -0.40 1.24 -0.00 -0.72 -4.56 118.94 114.47 3fg1 s TRP 455 Ca 0.59 -0.46 -0.15 0.00 -0.00 0.00 0.00 56.10 56.07 3fg1 s TRP 455 Cb -0.55 -1.00 0.01 0.00 -0.00 0.00 0.00 33.47 31.94 3fg1 s TRP 455 CO 0.59 -0.38 0.34 0.12 -0.00 0.00 0.00 176.95 177.63 3fg1 s PHE 456 N 1.50 3.22 -0.15 5.86 5.36 0.31 0.98 117.98 135.07 3fg1 s PHE 456 Ca -0.00 -0.44 -0.05 0.00 -0.96 0.00 0.00 56.93 55.47 3fg1 s PHE 456 Cb -0.13 -2.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.84 3fg1 s PHE 456 CO -0.04 -0.59 0.04 0.08 -1.46 0.00 0.00 175.22 173.25 3fg1 s VAL 457 N 1.84 4.59 -0.13 3.12 1.01 -1.05 -0.46 120.40 129.33 3fg1 s VAL 457 Ca 0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3fg1 s VAL 457 Cb -0.18 -3.02 -0.13 0.00 0.00 0.00 0.00 36.38 33.05 3fg1 s VAL 457 CO 0.11 0.52 0.37 0.78 0.00 0.00 0.00 175.10 176.88 3fg1 h ASN 458 N 6.16 0.00 -4.95 3.32 -0.26 -0.89 0.50 115.58 119.46 3fg1 h ASN 458 Ca -0.41 -0.50 -0.05 0.00 -0.56 0.00 0.00 56.30 54.78 3fg1 h ASN 458 Cb 1.18 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.26 3fg1 h ASN 458 CO 0.64 0.79 0.21 -0.60 -1.06 0.00 0.00 177.43 177.42 3fg1 s ARG 459 N -1.93 1.06 -0.04 0.81 3.52 -1.11 -0.28 118.95 120.98 3fg1 s ARG 459 Ca -0.11 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3fg1 s ARG 459 Cb -0.01 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 3fg1 s ARG 459 CO 0.36 -0.35 -0.21 0.08 -0.81 0.00 0.00 175.30 174.38 3fg1 s VAL 460 N -1.47 1.71 -0.08 7.11 1.01 -0.47 -0.82 120.40 127.38 3fg1 s VAL 460 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3fg1 s VAL 460 Cb -0.00 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3fg1 s VAL 460 CO 0.07 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 3fg1 s ILE 461 N -0.19 1.74 -0.04 2.22 1.01 0.05 -0.28 121.20 125.71 3fg1 s ILE 461 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3fg1 s ILE 461 Cb -0.11 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3fg1 s ILE 461 CO 0.02 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.65 3fg1 s ILE 462 N 0.35 1.36 -0.14 2.92 1.01 -0.21 -0.99 121.20 125.50 3fg1 s ILE 462 Ca -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3fg1 s ILE 462 Cb -0.16 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3fg1 s ILE 462 CO 0.06 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.55 3fg1 s ILE 463 N -0.03 2.11 -0.04 2.92 1.01 -0.54 -1.24 121.20 125.39 3fg1 s ILE 463 Ca -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 3fg1 s ILE 463 Cb -0.10 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 3fg1 s ILE 463 CO 0.01 0.55 0.43 -0.55 0.00 0.00 0.00 174.94 175.38 3fg1 s SER 464 N 0.80 6.77 0.50 3.58 0.15 -1.26 -0.33 113.70 123.90 3fg1 s SER 464 Ca -0.07 0.91 0.34 0.00 0.70 0.00 0.00 55.95 57.83 3fg1 s SER 464 Cb -0.16 -2.26 1.77 0.00 -1.71 0.00 0.00 66.02 63.66 3fg1 s SER 464 CO -0.01 0.22 2.03 0.77 1.20 0.00 0.00 173.24 177.45 3fg1 h SER 465 N 5.37 0.00 -0.05 5.45 4.64 -1.21 -2.48 113.55 125.26 3fg1 h SER 465 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fg1 h SER 465 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3fg1 h SER 465 CO 0.66 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.97 3fg1 n THR 466 N -2.73 0.04 -4.65 2.95 -2.24 -1.26 -4.94 114.28 101.44 3fg1 n THR 466 Ca -0.02 -0.52 -0.24 0.00 -2.27 0.00 0.00 64.05 61.01 3fg1 n THR 466 Cb 0.10 1.45 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 3fg1 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg1 s GLN 467 N -1.91 1.42 -1.21 -0.78 -1.52 -0.93 -5.00 119.66 109.73 3fg1 s GLN 467 Ca 0.28 -0.48 -0.07 0.00 -1.95 0.00 0.00 55.36 53.14 3fg1 s GLN 467 Cb 0.20 -1.27 0.21 0.00 -0.22 0.00 0.00 33.01 31.93 3fg1 s GLN 467 CO 0.29 0.19 1.80 -3.47 -0.25 0.00 0.00 175.29 173.85 3fg1 n ASP 468 N 3.20 5.87 -3.64 5.90 4.64 -1.26 -4.54 116.55 126.71 3fg1 n ASP 468 Ca -0.18 -3.23 -0.13 0.00 -1.38 0.00 0.00 54.79 49.87 3fg1 n ASP 468 Cb 0.53 -1.39 -0.06 0.00 -1.04 0.00 0.00 41.12 39.17 3fg1 n ASP 468 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3fg1 s ARG 469 N -0.96 0.96 -0.18 -0.67 1.81 -1.26 -5.14 118.95 113.52 3fg1 s ARG 469 Ca 0.38 -0.40 -0.01 0.00 -1.72 0.00 0.00 55.73 53.99 3fg1 s ARG 469 Cb 0.09 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 35.03 3fg1 s ARG 469 CO 0.02 -0.34 -0.14 0.08 -0.68 0.00 0.00 175.30 174.24 3fg1 s VAL 470 N -2.69 2.67 -0.20 3.52 1.01 -1.26 -4.56 120.40 118.90 3fg1 s VAL 470 Ca -0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3fg1 s VAL 470 Cb -0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3fg1 s VAL 470 CO -0.04 0.50 0.10 -0.31 0.00 0.00 0.00 175.10 175.35 3fg1 s TYR 471 N 1.12 3.31 -0.15 5.22 1.51 -0.37 -4.98 117.35 123.02 3fg1 s TYR 471 Ca 0.01 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 3fg1 s TYR 471 Cb -0.14 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 3fg1 s TYR 471 CO -0.05 0.18 -0.14 0.45 -1.11 0.00 0.00 175.55 174.88 3fg1 s SER 472 N 0.46 3.79 -0.54 2.29 0.15 -1.26 -1.04 113.70 117.55 3fg1 s SER 472 Ca 0.05 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.33 3fg1 s SER 472 Cb -0.12 -1.58 0.14 0.00 -1.71 0.00 0.00 66.02 62.75 3fg1 s SER 472 CO -0.00 0.11 0.29 -0.36 1.20 0.00 0.00 173.24 174.49 3fg1 s PHE 473 N 0.64 3.16 0.53 3.44 0.40 0.61 -0.63 117.98 126.14 3fg1 s PHE 473 Ca -0.08 -3.16 -0.21 0.00 -0.60 0.00 0.00 56.93 52.89 3fg1 s PHE 473 Cb -0.16 -2.74 -0.05 0.00 0.51 0.00 0.00 43.02 40.58 3fg1 s PHE 473 CO 0.03 -0.71 1.21 -1.25 0.70 0.00 0.00 175.22 175.19 3fg1 s PRO 474 N -0.43 3.33 0.00 0.24 0.04 -1.26 -1.37 135.00 135.55 3fg1 s PRO 474 Ca 0.18 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3fg1 s PRO 474 Cb -0.23 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3fg1 s PRO 474 CO -0.02 -0.92 0.00 0.00 0.04 0.00 0.00 177.00 176.09 3fg1 n PHE 476 N -2.01 -2.37 -4.02 0.00 3.01 0.16 -4.90 117.46 107.33 3fg1 n PHE 476 Ca 0.00 0.93 -0.09 0.00 1.01 0.00 0.00 57.45 59.30 3fg1 n PHE 476 Cb 0.00 -4.48 -0.09 0.00 -0.01 0.00 0.00 39.48 34.90 3fg1 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg1 s ARG 477 N -6.26 0.89 0.01 -1.08 0.52 -1.21 -5.01 118.95 106.81 3fg1 s ARG 477 Ca 0.43 -1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.13 3fg1 s ARG 477 Cb -0.21 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 3fg1 s ARG 477 CO 0.79 -0.27 1.06 -1.58 0.02 0.00 0.00 175.30 175.32 3fg1 s TRP 478 N -3.95 3.57 -0.37 -0.53 0.52 -1.26 -2.54 118.94 114.38 3fg1 s TRP 478 Ca 0.14 1.55 -0.20 0.00 0.02 0.00 0.00 56.10 57.62 3fg1 s TRP 478 Cb 0.06 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 3fg1 s TRP 478 CO -0.05 -0.46 0.59 0.08 0.02 0.00 0.00 176.95 177.13 3fg1 s VAL 479 N 1.10 4.93 -0.10 4.03 1.01 0.28 -4.94 120.40 126.71 3fg1 s VAL 479 Ca 0.54 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 3fg1 s VAL 479 Cb -0.24 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3fg1 s VAL 479 CO 0.28 -0.32 -0.17 -0.38 0.00 0.00 0.00 175.10 174.51 3fg1 n ILE 480 N 5.56 0.83 0.00 2.22 2.08 -1.26 -1.76 119.36 127.04 3fg1 n ILE 480 Ca -0.03 0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.59 3fg1 n ILE 480 Cb 0.49 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 3fg1 n ILE 480 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3fg1 n LYS 481 N -3.60 0.00 -4.26 0.38 3.00 -1.26 -4.60 118.16 107.81 3fg1 n LYS 481 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.07 3fg1 n LYS 481 Cb 0.25 -0.43 -0.14 0.00 0.00 0.00 0.00 35.03 34.72 3fg1 n LYS 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fg1 s ASP 482 N -4.87 1.06 -0.10 3.14 1.11 -1.26 -0.60 116.67 115.15 3fg1 s ASP 482 Ca 0.00 -0.29 -0.04 0.00 0.18 0.00 0.00 52.55 52.40 3fg1 s ASP 482 Cb 0.00 -0.07 0.05 0.00 1.07 0.00 0.00 42.92 43.97 3fg1 s ASP 482 CO 0.00 0.02 0.19 -0.32 1.18 0.00 0.00 175.17 176.24 3fg1 s MET 483 N -0.67 0.07 -0.05 8.23 1.75 -0.15 -4.98 119.30 123.50 3fg1 s MET 483 Ca 0.00 0.59 -0.22 0.00 -1.25 0.00 0.00 55.69 54.81 3fg1 s MET 483 Cb -0.05 -0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.30 3fg1 s MET 483 CO 0.00 -0.32 0.65 0.08 -0.65 0.00 0.00 175.02 174.78 3fg1 s VAL 484 N 2.32 5.01 -0.10 10.11 1.01 -1.26 -0.53 120.40 136.96 3fg1 s VAL 484 Ca 0.03 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.39 3fg1 s VAL 484 Cb -0.12 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3fg1 s VAL 484 CO -0.07 0.31 -0.24 -0.76 0.00 0.00 0.00 175.10 174.35 3fg1 s LEU 485 N 0.45 2.08 0.22 3.92 1.43 0.73 -4.99 118.68 122.53 3fg1 s LEU 485 Ca 0.34 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3fg1 s LEU 485 Cb -0.18 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 3fg1 s LEU 485 CO 0.17 0.16 0.49 -0.36 0.23 0.00 0.00 176.35 177.04 3fg1 s PHE 486 N 0.33 3.46 -0.15 0.29 0.08 -1.26 -1.98 117.98 118.75 3fg1 s PHE 486 Ca -0.18 0.64 -0.02 0.00 0.12 0.00 0.00 56.93 57.48 3fg1 s PHE 486 Cb -0.18 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3fg1 s PHE 486 CO 0.09 0.29 -0.07 -1.25 -0.10 0.00 0.00 175.22 174.18 3fg1 s PRO 487 N -3.10 3.55 5.06 0.24 0.04 -1.26 -4.33 135.00 135.19 3fg1 s PRO 487 Ca 0.43 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.89 3fg1 s PRO 487 Cb -0.11 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3fg1 s PRO 487 CO 0.26 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.91 3fg1 n GLY 488 N 3.62 0.60 3.83 0.56 0.00 0.20 -4.95 105.19 109.06 3fg1 n GLY 488 Ca -0.18 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3fg1 n GLY 488 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg1 s GLU 489 N 0.00 3.65 0.55 1.61 4.04 -1.26 -4.70 118.70 122.59 3fg1 s GLU 489 Ca 0.00 0.99 -0.21 0.00 0.04 0.00 0.00 54.97 55.80 3fg1 s GLU 489 Cb 0.00 -2.09 -0.05 0.00 0.02 0.00 0.00 34.13 32.02 3fg1 s GLU 489 CO 0.00 -0.52 1.27 0.00 -1.84 0.00 0.00 175.26 174.16 3fg1 s ALA 490 N -2.69 2.72 0.03 -0.84 0.00 -1.26 -5.04 121.76 114.68 3fg1 s ALA 490 Ca 0.60 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.72 3fg1 s ALA 490 Cb -0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3fg1 s ALA 490 CO 0.38 -1.18 -0.08 0.95 0.00 0.00 0.00 175.76 175.83 3fg1 s THR 491 N -1.45 0.59 0.46 0.00 -4.23 -0.21 -4.85 115.64 105.95 3fg1 s THR 491 Ca 0.73 -0.87 -0.20 0.00 -1.18 0.00 0.00 61.69 60.16 3fg1 s THR 491 Cb -0.35 -0.61 -0.10 0.00 1.34 0.00 0.00 72.50 72.79 3fg1 s THR 491 CO 0.40 -0.22 0.98 -0.76 -0.54 0.00 0.00 174.62 174.48 3fg1 s LEU 492 N -1.19 3.87 0.60 4.79 1.43 -1.26 -3.95 118.68 122.97 3fg1 s LEU 492 Ca -0.06 1.75 0.30 0.00 -1.03 0.00 0.00 54.13 55.09 3fg1 s LEU 492 Cb -0.08 -4.54 1.65 0.00 0.03 0.00 0.00 46.19 43.25 3fg1 s LEU 492 CO 0.00 -0.53 2.05 1.55 0.23 0.00 0.00 176.35 179.65 3fg1 h PRO 493 N 1.67 0.00 -0.01 1.29 0.13 -1.97 -0.51 132.00 132.60 3fg1 h PRO 493 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3fg1 h PRO 493 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fg1 h PRO 493 CO 0.60 0.00 -0.52 1.97 -0.23 0.00 0.00 178.00 179.83 3fg1 n PHE 494 N -3.64 0.00 -1.76 1.56 1.16 -1.26 -4.92 117.46 108.60 3fg1 n PHE 494 Ca 0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.20 3fg1 n PHE 494 Cb 0.40 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 3fg1 n PHE 494 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3fg1 n ASN 495 N -0.77 3.54 -4.66 5.98 5.03 -0.20 -4.88 115.26 119.30 3fg1 n ASN 495 Ca 0.08 1.19 -0.42 0.00 0.87 0.00 0.00 54.58 56.31 3fg1 n ASN 495 Cb 0.38 -1.60 -0.03 0.00 -1.02 0.00 0.00 39.78 37.51 3fg1 n ASN 495 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3fg1 s GLU 496 N -2.18 4.18 0.00 3.52 4.04 -1.26 -4.97 118.70 122.03 3fg1 s GLU 496 Ca 0.56 2.20 -0.10 0.00 0.04 0.00 0.00 54.97 57.67 3fg1 s GLU 496 Cb -0.48 -3.97 0.01 0.00 0.02 0.00 0.00 34.13 29.71 3fg1 s GLU 496 CO 0.62 -0.84 0.19 0.08 -1.84 0.00 0.00 175.26 173.47 3fg1 s VAL 497 N 3.98 0.08 0.60 1.83 1.01 -1.26 -5.14 120.40 121.50 3fg1 s VAL 497 Ca 0.74 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 3fg1 s VAL 497 Cb -0.34 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3fg1 s VAL 497 CO 0.30 -0.37 0.92 -2.65 0.00 0.00 0.00 175.10 173.30 3fg1 n PRO 498 N 1.28 0.84 -0.31 2.72 -0.02 -1.26 -4.75 135.00 133.50 3fg1 n PRO 498 Ca -0.22 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.65 3fg1 n PRO 498 Cb 0.56 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 32.13 3fg1 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg1 h ALA 499 N 0.42 1.34 -0.16 3.55 0.00 -2.00 -1.02 119.26 121.39 3fg1 h ALA 499 Ca -0.48 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3fg1 h ALA 499 Cb 1.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3fg1 h ALA 499 CO 0.50 0.04 -0.19 0.97 0.00 0.00 0.00 179.25 180.57 3fg1 h ILE 500 N 0.77 1.21 -0.13 0.00 6.09 -1.99 -0.57 117.51 122.89 3fg1 h ILE 500 Ca 0.46 -0.97 -0.04 0.00 -1.37 0.00 0.00 64.86 62.95 3fg1 h ILE 500 Cb 0.56 1.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.15 3fg1 h ILE 500 CO -0.31 0.30 -0.07 0.58 -3.07 0.00 0.00 178.15 175.58 3fg1 h VAL 501 N 0.25 1.32 -0.69 2.19 2.07 -1.55 -1.07 116.25 118.77 3fg1 h VAL 501 Ca 0.05 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3fg1 h VAL 501 Cb 0.48 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3fg1 h VAL 501 CO 0.03 0.32 0.42 0.28 0.02 0.00 0.00 177.57 178.65 3fg1 h SER 502 N -0.06 0.69 -0.51 0.57 0.02 -1.08 -0.65 113.55 112.53 3fg1 h SER 502 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3fg1 h SER 502 Cb 0.54 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3fg1 h SER 502 CO 0.02 0.48 0.22 -0.33 -1.14 0.00 0.00 176.83 176.08 3fg1 h GLU 503 N 0.83 0.76 -0.14 3.45 5.08 -1.04 -1.96 114.58 121.55 3fg1 h GLU 503 Ca 0.28 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3fg1 h GLU 503 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3fg1 h GLU 503 CO -0.11 0.66 -0.47 1.96 -1.00 0.00 0.00 179.01 180.04 3fg1 h GLN 504 N 0.68 0.35 -0.78 2.33 1.08 -0.90 -1.54 115.11 116.34 3fg1 h GLN 504 Ca 0.17 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3fg1 h GLN 504 Cb 0.17 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 3fg1 h GLN 504 CO -0.02 0.75 0.51 -0.09 -0.95 0.00 0.00 178.83 179.03 3fg1 h ARG 505 N 0.28 1.04 -0.44 1.46 2.43 -0.88 0.84 114.38 119.12 3fg1 h ARG 505 Ca 0.02 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3fg1 h ARG 505 Cb 0.94 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3fg1 h ARG 505 CO 0.08 0.70 0.03 1.96 -1.51 0.00 0.00 179.97 181.23 3fg1 h GLN 506 N 1.07 0.76 -0.52 0.20 4.20 -1.09 -2.10 115.11 117.61 3fg1 h GLN 506 Ca 0.29 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3fg1 h GLN 506 Cb -0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3fg1 h GLN 506 CO -0.06 0.81 0.06 -0.22 -0.67 0.00 0.00 178.83 178.75 3fg1 h LYS 507 N 0.61 0.84 -0.20 1.46 1.63 -0.95 -0.73 116.57 119.23 3fg1 h LYS 507 Ca 0.13 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3fg1 h LYS 507 Cb 0.45 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3fg1 h LYS 507 CO 0.02 0.81 0.08 1.49 -3.45 0.00 0.00 179.45 178.39 3fg1 h GLU 508 N 0.80 0.18 0.00 1.90 4.81 -0.58 -1.35 114.58 120.34 3fg1 h GLU 508 Ca 0.16 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3fg1 h GLU 508 Cb 0.39 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3fg1 h GLU 508 CO 0.01 0.12 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.04 3fg1 h LEU 509 N 0.18 0.00 -0.32 1.64 3.38 -0.93 0.32 115.31 119.59 3fg1 h LEU 509 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3fg1 h LEU 509 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fg1 h LEU 509 CO -0.08 0.30 -0.56 -0.33 0.09 0.00 0.00 178.44 177.86 3fg1 h GLU 510 N 0.00 0.84 -0.53 1.13 5.08 -0.76 -2.69 114.58 117.66 3fg1 h GLU 510 Ca -0.00 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3fg1 h GLU 510 Cb 0.54 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3fg1 h GLU 510 CO 0.04 1.17 -0.13 0.37 -1.00 0.00 0.00 179.01 179.46 3fg1 h GLN 511 N 0.64 1.03 -0.60 2.33 5.75 -0.84 -2.99 115.11 120.43 3fg1 h GLN 511 Ca 0.01 -0.39 0.12 0.00 -0.15 0.00 0.00 58.65 58.24 3fg1 h GLN 511 Cb 1.16 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.56 3fg1 h GLN 511 CO 0.12 1.08 0.10 0.00 -2.65 0.00 0.00 178.83 177.49 3fg1 h ARG 512 N 0.90 0.22 0.00 1.69 2.47 -0.85 -1.13 114.38 117.68 3fg1 h ARG 512 Ca 0.14 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3fg1 h ARG 512 Cb 0.70 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3fg1 h ARG 512 CO 0.05 0.15 -0.04 0.87 0.56 0.00 0.00 179.97 181.56 3fg1 h LYS 513 N 0.23 0.00 0.15 0.04 1.57 -1.33 0.60 116.57 117.83 3fg1 h LYS 513 Ca 0.32 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.78 3fg1 h LYS 513 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3fg1 h LYS 513 CO -0.42 0.04 -1.57 -0.07 -0.57 0.00 0.00 179.45 176.85 3fg1 h LEU 514 N 0.00 0.49 0.04 2.94 4.07 -1.26 -3.37 115.31 118.22 3fg1 h LEU 514 Ca -0.00 -0.67 -0.23 0.00 0.08 0.00 0.00 57.88 57.06 3fg1 h LEU 514 Cb 0.29 -0.16 0.02 0.00 1.08 0.00 0.00 40.66 41.89 3fg1 h LEU 514 CO 0.00 1.55 -0.92 0.74 -1.08 0.00 0.00 178.44 178.74 3fg1 h THR 515 N 0.09 1.35 -3.42 0.22 2.02 -0.51 -3.42 112.91 109.24 3fg1 h THR 515 Ca -0.27 -2.27 -0.72 0.00 0.77 0.00 0.00 66.41 63.92 3fg1 h THR 515 Cb 2.05 2.61 -0.31 0.00 -1.74 0.00 0.00 68.15 70.76 3fg1 h THR 515 CO 0.18 0.68 -0.35 -0.31 0.37 0.00 0.00 175.52 176.08 3fg1 s TYR 516 N -3.11 3.48 0.12 3.16 1.51 0.20 -4.94 117.35 117.76 3fg1 s TYR 516 Ca -0.11 -2.12 0.08 0.00 -1.01 0.00 0.00 57.07 53.91 3fg1 s TYR 516 Cb 0.05 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.41 3fg1 s TYR 516 CO 0.88 -0.96 -0.11 -0.65 -1.11 0.00 0.00 175.55 173.60 3fg1 s GLN 517 N 0.94 2.05 0.42 -0.62 -0.21 -1.26 -4.62 119.66 116.36 3fg1 s GLN 517 Ca 0.09 -1.08 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 3fg1 s GLN 517 Cb -0.23 -2.25 -0.08 0.00 1.00 0.00 0.00 33.01 31.44 3fg1 s GLN 517 CO -0.03 0.49 1.14 -1.58 -2.12 0.00 0.00 175.29 173.20 3fg1 s TRP 518 N -1.25 3.06 0.17 0.91 0.52 -1.26 -0.62 118.94 120.46 3fg1 s TRP 518 Ca 0.21 1.57 -0.09 0.00 0.02 0.00 0.00 56.10 57.81 3fg1 s TRP 518 Cb -0.11 -3.32 -0.01 0.00 -1.15 0.00 0.00 33.47 28.88 3fg1 s TRP 518 CO 0.13 -1.20 0.29 0.34 0.02 0.00 0.00 176.95 176.54 3fg1 s ASP 519 N -1.31 0.03 -0.06 2.95 -1.08 0.32 -4.55 116.67 112.97 3fg1 s ASP 519 Ca 0.59 -0.87 -0.04 0.00 -0.52 0.00 0.00 52.55 51.71 3fg1 s ASP 519 Cb -0.28 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 41.65 3fg1 s ASP 519 CO 0.35 -0.90 0.15 -0.31 0.52 0.00 0.00 175.17 174.98 3fg1 s TYR 520 N -3.97 -0.17 0.25 -5.34 1.51 -1.26 -0.33 117.35 108.04 3fg1 s TYR 520 Ca 0.17 0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 56.68 3fg1 s TYR 520 Cb 0.03 -0.00 0.31 0.00 -0.11 0.00 0.00 41.96 42.19 3fg1 s TYR 520 CO 0.00 -0.12 1.68 0.28 -1.11 0.00 0.00 175.55 176.28 3fg1 h VAL 521 N 5.45 1.27 -2.21 0.71 2.07 -1.88 -3.48 116.25 118.19 3fg1 h VAL 521 Ca -0.33 -1.32 0.23 0.00 0.82 0.00 0.00 66.70 66.09 3fg1 h VAL 521 Cb 1.17 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 3fg1 h VAL 521 CO 0.42 0.43 0.67 -0.94 0.02 0.00 0.00 177.57 178.17 3fg1 s SER 522 N -6.79 -0.04 0.54 0.57 1.04 -1.26 -5.01 113.70 102.75 3fg1 s SER 522 Ca -0.08 -0.43 0.36 0.00 0.48 0.00 0.00 55.95 56.28 3fg1 s SER 522 Cb 0.13 0.37 1.76 0.00 0.10 0.00 0.00 66.02 68.38 3fg1 s SER 522 CO 0.81 -0.71 2.08 0.44 0.98 0.00 0.00 173.24 176.84 3fg1 h ASP 523 N 2.00 0.00 -0.36 7.02 3.32 -2.01 -3.02 116.42 123.37 3fg1 h ASP 523 Ca -0.26 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3fg1 h ASP 523 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 3fg1 h ASP 523 CO 0.31 0.00 0.03 0.47 -1.72 0.00 0.00 179.24 178.33 3fg1 n ASP 524 N -2.88 3.84 -4.28 6.45 8.00 -1.26 -4.79 116.55 121.64 3fg1 n ASP 524 Ca -0.01 -3.19 -0.21 0.00 0.71 0.00 0.00 54.79 52.10 3fg1 n ASP 524 Cb 0.16 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 3fg1 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg1 s MET 525 N -2.93 1.11 0.62 -1.24 -1.94 -1.14 -4.41 119.30 109.37 3fg1 s MET 525 Ca 0.45 -1.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.01 3fg1 s MET 525 Cb 0.37 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.03 3fg1 s MET 525 CO 0.08 0.24 1.15 -1.25 -0.01 0.00 0.00 175.02 175.24 3fg1 s PRO 526 N -2.43 2.89 0.40 2.03 0.04 -1.26 -4.79 135.00 131.87 3fg1 s PRO 526 Ca 0.09 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 3fg1 s PRO 526 Cb -0.07 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3fg1 s PRO 526 CO 0.04 -1.22 1.34 0.20 0.04 0.00 0.00 177.00 177.41 3fg1 s GLY 527 N -2.04 2.94 0.41 0.56 0.00 0.66 -4.71 107.32 105.14 3fg1 s GLY 527 Ca 0.72 1.31 0.05 0.00 0.00 0.00 0.00 44.72 46.81 3fg1 s GLY 527 CO 0.36 1.93 0.02 0.54 0.00 0.00 0.00 173.10 175.95 3fg1 s ASN 528 N -0.59 3.57 0.31 1.64 4.22 0.55 -3.69 114.94 120.96 3fg1 s ASN 528 Ca 0.55 -1.43 -0.29 0.00 -2.14 0.00 0.00 52.86 49.55 3fg1 s ASN 528 Cb -0.40 -0.14 -0.10 0.00 1.28 0.00 0.00 41.25 41.89 3fg1 s ASN 528 CO 0.52 -0.57 1.13 -0.51 -2.04 0.00 0.00 177.10 175.63 3fg1 s ILE 529 N -2.88 3.36 -0.20 0.54 2.07 -1.26 -0.52 121.20 122.31 3fg1 s ILE 529 Ca 0.30 1.33 -0.29 0.00 -1.41 0.00 0.00 60.65 60.57 3fg1 s ILE 529 Cb 0.08 -3.83 -0.00 0.00 0.13 0.00 0.00 42.46 38.84 3fg1 s ILE 529 CO 0.15 0.28 1.18 -0.75 -1.91 0.00 0.00 174.94 173.90 3fg1 s LYS 530 N -1.64 4.23 -0.30 3.50 2.20 0.21 -4.66 119.74 123.27 3fg1 s LYS 530 Ca 0.47 1.53 -0.19 0.00 -0.36 0.00 0.00 55.97 57.42 3fg1 s LYS 530 Cb -0.32 -3.73 0.19 0.00 -1.51 0.00 0.00 37.83 32.46 3fg1 s LYS 530 CO 0.42 -0.70 1.26 0.00 -0.36 0.00 0.00 175.35 175.97 3fg1 s ALA 531 N 3.43 -3.25 0.08 3.13 0.00 -1.26 -4.77 121.76 119.12 3fg1 s ALA 531 Ca 0.51 1.80 -0.19 0.00 0.00 0.00 0.00 51.96 54.07 3fg1 s ALA 531 Cb -0.19 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 3fg1 s ALA 531 CO 0.12 -0.99 1.52 0.87 0.00 0.00 0.00 175.76 177.28 3fg1 h LYS 532 N 7.13 0.39 -4.75 0.00 1.57 -1.92 -3.46 116.57 115.51 3fg1 h LYS 532 Ca -0.13 -0.12 -0.31 0.00 -1.87 0.00 0.00 60.65 58.22 3fg1 h LYS 532 Cb 1.13 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.25 3fg1 h LYS 532 CO 0.06 0.56 -0.61 0.95 -0.57 0.00 0.00 179.45 179.84 3fg1 s THR 533 N -5.04 0.28 0.31 -0.16 -4.23 -1.26 -4.92 115.64 100.63 3fg1 s THR 533 Ca -0.14 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 3fg1 s THR 533 Cb 0.07 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.64 3fg1 s THR 533 CO 0.74 0.00 1.88 -0.74 -0.54 0.00 0.00 174.62 175.96 3fg1 h HIS 534 N 2.47 1.00 0.00 3.99 2.76 -1.90 -1.58 115.15 121.90 3fg1 h HIS 534 Ca -0.37 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3fg1 h HIS 534 Cb 1.25 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3fg1 h HIS 534 CO 0.47 0.45 0.00 -0.25 -1.30 0.00 0.00 177.93 177.30 3fg1 n ASP 535 N -4.54 0.00 0.03 3.26 10.43 -1.26 -1.60 116.55 122.88 3fg1 n ASP 535 Ca 0.16 0.28 0.14 0.00 2.57 0.00 0.00 54.79 57.93 3fg1 n ASP 535 Cb 0.31 -0.42 0.55 0.00 1.84 0.00 0.00 41.12 43.40 3fg1 n ASP 535 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3fg1 n ASP 536 N -1.42 0.26 -4.80 -2.24 8.00 -0.59 -4.89 116.55 110.87 3fg1 n ASP 536 Ca 0.08 0.52 -0.35 0.00 0.71 0.00 0.00 54.79 55.76 3fg1 n ASP 536 Cb 0.26 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 3fg1 n ASP 536 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fg1 s LEU 537 N -3.48 3.95 0.40 0.64 1.43 -0.62 -4.94 118.68 116.05 3fg1 s LEU 537 Ca 0.13 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 54.91 3fg1 s LEU 537 Cb 0.17 -4.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.84 3fg1 s LEU 537 CO 0.55 -0.64 1.05 -2.65 0.23 0.00 0.00 176.35 174.89 3fg1 n PRO 538 N -0.64 1.46 0.23 1.29 -0.02 -1.26 -4.80 135.00 131.26 3fg1 n PRO 538 Ca 0.08 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 3fg1 n PRO 538 Cb 0.52 -2.06 0.61 0.00 -0.02 0.00 0.00 33.50 32.54 3fg1 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg1 h ARG 539 N 1.72 0.05 0.00 -0.52 2.43 -1.95 -0.93 114.38 115.19 3fg1 h ARG 539 Ca -0.44 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3fg1 h ARG 539 Cb 1.33 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fg1 h ARG 539 CO 0.58 0.05 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.63 3fg1 h ASP 540 N 0.06 0.00 -0.12 -3.80 3.32 -1.94 -2.34 116.42 111.60 3fg1 h ASP 540 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3fg1 h ASP 540 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3fg1 h ASP 540 CO -0.00 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 3fg1 n VAL 541 N -3.61 0.67 -1.66 -1.35 0.24 -0.39 -4.99 118.33 107.23 3fg1 n VAL 541 Ca -0.03 -0.83 -0.31 0.00 -2.04 0.00 0.00 64.34 61.13 3fg1 n VAL 541 Cb 0.11 0.71 0.04 0.00 -1.47 0.00 0.00 33.84 33.23 3fg1 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg1 s GLN 542 N -0.82 3.00 0.36 7.34 -0.21 -0.88 -3.50 119.66 124.94 3fg1 s GLN 542 Ca 0.10 0.83 -0.27 0.00 0.02 0.00 0.00 55.36 56.05 3fg1 s GLN 542 Cb 0.06 -2.01 -0.12 0.00 1.00 0.00 0.00 33.01 31.94 3fg1 s GLN 542 CO 0.08 -1.02 1.13 1.19 -2.12 0.00 0.00 175.29 174.54 3fg1 n PHE 543 N -3.06 1.66 -0.97 0.91 3.72 -1.26 -4.86 117.46 113.60 3fg1 n PHE 543 Ca 0.07 0.59 -0.34 0.00 -0.05 0.00 0.00 57.45 57.72 3fg1 n PHE 543 Cb 0.54 -2.31 0.12 0.00 -0.94 0.00 0.00 39.48 36.89 3fg1 n PHE 543 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fg1 n THR 544 N -0.01 0.90 0.04 4.37 -2.24 -1.26 -4.75 114.28 111.33 3fg1 n THR 544 Ca 0.08 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3fg1 n THR 544 Cb 0.36 -0.82 0.48 0.00 -2.10 0.00 0.00 70.33 68.25 3fg1 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fg1 h ASP 545 N -1.16 0.36 -0.28 3.42 5.19 -1.94 -1.23 116.42 120.78 3fg1 h ASP 545 Ca -0.45 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3fg1 h ASP 545 Cb 1.30 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 3fg1 h ASP 545 CO 0.40 0.25 0.17 -0.33 -3.12 0.00 0.00 179.24 176.61 3fg1 h GLU 546 N 0.42 0.38 -0.59 3.56 3.07 -1.91 -1.17 114.58 118.34 3fg1 h GLU 546 Ca 0.14 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 3fg1 h GLU 546 Cb 0.06 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3fg1 h GLU 546 CO -0.03 0.29 0.03 0.87 -1.40 0.00 0.00 179.01 178.77 3fg1 h LYS 547 N 0.36 1.00 -0.74 2.33 1.57 -1.78 0.20 116.57 119.50 3fg1 h LYS 547 Ca 0.10 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3fg1 h LYS 547 Cb 0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3fg1 h LYS 547 CO -0.02 0.96 0.45 0.77 -0.57 0.00 0.00 179.45 181.04 3fg1 h SER 548 N 0.92 0.89 -0.23 0.86 0.02 -1.11 0.13 113.55 115.04 3fg1 h SER 548 Ca 0.17 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3fg1 h SER 548 Cb 0.50 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3fg1 h SER 548 CO 0.02 0.69 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.28 3fg1 h ARG 549 N 1.01 0.42 -0.36 3.45 2.43 -0.96 0.11 114.38 120.49 3fg1 h ARG 549 Ca 0.27 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3fg1 h ARG 549 Cb -0.04 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 3fg1 h ARG 549 CO -0.05 0.64 0.01 1.03 -1.51 0.00 0.00 179.97 180.09 3fg1 h SER 550 N 0.17 -0.13 0.12 -3.80 0.87 -0.64 0.16 113.55 110.31 3fg1 h SER 550 Ca 0.06 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3fg1 h SER 550 Cb 0.48 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3fg1 h SER 550 CO 0.02 -0.03 -0.06 0.22 -0.53 0.00 0.00 176.83 176.45 3fg1 h TYR 551 N 0.11 -0.15 -0.61 2.24 3.20 -0.86 -1.53 116.97 119.36 3fg1 h TYR 551 Ca 0.17 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 3fg1 h TYR 551 Cb 0.24 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3fg1 h TYR 551 CO -0.24 0.05 0.09 1.96 -1.64 0.00 0.00 178.16 178.38 3fg1 h GLN 552 N -0.34 1.02 -0.40 1.82 1.08 -0.40 -1.79 115.11 116.11 3fg1 h GLN 552 Ca -0.02 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.85 3fg1 h GLN 552 Cb 0.27 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3fg1 h GLN 552 CO 0.03 0.96 0.02 0.93 -0.95 0.00 0.00 178.83 179.82 3fg1 h GLU 553 N 0.93 0.62 -0.27 1.46 4.39 -0.72 -1.03 114.58 119.96 3fg1 h GLU 553 Ca 0.18 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 3fg1 h GLU 553 Cb 0.44 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3fg1 h GLU 553 CO 0.01 0.63 -0.23 0.66 -1.16 0.00 0.00 179.01 178.93 3fg1 h SER 554 N 0.60 0.51 -0.49 1.42 4.64 -0.81 0.12 113.55 119.53 3fg1 h SER 554 Ca 0.13 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 3fg1 h SER 554 Cb 0.34 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3fg1 h SER 554 CO 0.01 0.74 -0.10 0.03 -0.87 0.00 0.00 176.83 176.63 3fg1 h ARG 555 N 0.45 0.93 0.12 4.77 2.47 -0.74 -0.74 114.38 121.64 3fg1 h ARG 555 Ca 0.07 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 3fg1 h ARG 555 Cb 0.64 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3fg1 h ARG 555 CO 0.05 1.01 -0.06 0.87 0.56 0.00 0.00 179.97 182.40 3fg1 h LYS 556 N 0.79 -0.15 -0.96 0.04 1.57 -0.95 -2.23 116.57 114.67 3fg1 h LYS 556 Ca 0.13 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 3fg1 h LYS 556 Cb 0.66 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.92 3fg1 h LYS 556 CO 0.05 0.12 0.60 0.00 -0.57 0.00 0.00 179.45 179.65 3fg1 h ALA 557 N 0.43 1.42 -0.31 3.86 0.00 -0.75 -1.30 119.26 122.62 3fg1 h ALA 557 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fg1 h ALA 557 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fg1 h ALA 557 CO 0.03 0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.67 3fg1 h ALA 558 N 1.51 0.40 -0.79 0.00 0.00 -1.03 0.11 119.26 119.46 3fg1 h ALA 558 Ca 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3fg1 h ALA 558 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fg1 h ALA 558 CO -0.25 -0.09 0.36 -0.07 0.00 0.00 0.00 179.25 179.20 3fg1 h LEU 559 N 0.39 1.04 -0.11 0.00 3.38 -0.87 -0.68 115.31 118.46 3fg1 h LEU 559 Ca 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fg1 h LEU 559 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3fg1 h LEU 559 CO -0.02 0.89 -0.05 0.58 0.09 0.00 0.00 178.44 179.93 3fg1 h VAL 560 N 1.13 1.32 -0.93 1.22 2.07 -0.89 -0.87 116.25 119.30 3fg1 h VAL 560 Ca 0.27 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3fg1 h VAL 560 Cb 0.14 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3fg1 h VAL 560 CO -0.03 0.31 0.61 0.78 0.02 0.00 0.00 177.57 179.26 3fg1 h ASN 561 N -0.13 1.02 -0.41 0.57 2.35 -0.69 0.11 115.58 118.41 3fg1 h ASN 561 Ca 0.02 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3fg1 h ASN 561 Cb 0.51 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3fg1 h ASN 561 CO 0.02 0.71 0.03 -0.07 -1.65 0.00 0.00 177.43 176.47 3fg1 h LEU 562 N 1.19 0.68 -0.38 1.61 3.38 -1.06 0.61 115.31 121.33 3fg1 h LEU 562 Ca 0.36 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fg1 h LEU 562 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3fg1 h LEU 562 CO -0.10 0.79 -0.00 1.23 0.09 0.00 0.00 178.44 180.45 3fg1 h GLY 563 N 0.54 0.73 0.87 0.83 0.00 -0.72 0.28 103.07 105.60 3fg1 h GLY 563 Ca 0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3fg1 h GLY 563 CO 0.01 0.50 0.06 -2.22 0.00 0.00 0.00 176.54 174.89 3fg1 h ILE 564 N 0.50 1.16 -0.67 2.60 2.04 -0.77 -2.07 117.51 120.31 3fg1 h ILE 564 Ca 0.11 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3fg1 h ILE 564 Cb 0.47 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3fg1 h ILE 564 CO 0.02 0.15 0.31 1.23 0.00 0.00 0.00 178.15 179.86 3fg1 h GLY 565 N 0.09 1.02 0.97 5.37 0.00 -0.78 -0.80 103.07 108.95 3fg1 h GLY 565 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fg1 h GLY 565 CO -0.00 0.47 0.18 0.23 0.00 0.00 0.00 176.54 177.42 3fg1 h SER 566 N 0.95 0.36 -0.68 0.19 0.87 -0.34 -1.14 113.55 113.77 3fg1 h SER 566 Ca 0.23 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3fg1 h SER 566 Cb 0.12 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3fg1 h SER 566 CO -0.03 0.32 0.25 -0.07 -0.53 0.00 0.00 176.83 176.76 3fg1 h LEU 567 N 0.38 0.95 -0.52 2.23 3.38 -1.03 -1.06 115.31 119.64 3fg1 h LEU 567 Ca 0.11 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3fg1 h LEU 567 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3fg1 h LEU 567 CO -0.02 0.88 -0.04 0.15 0.09 0.00 0.00 178.44 179.51 3fg1 h PHE 568 N 0.97 1.04 -0.30 1.13 3.04 -0.92 -3.17 116.94 118.73 3fg1 h PHE 568 Ca 0.22 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3fg1 h PHE 568 Cb 0.25 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.49 3fg1 h PHE 568 CO 0.02 0.97 0.00 0.25 -2.02 0.00 0.00 178.31 177.53 3fg1 n THR 569 N -4.25 0.38 -0.27 4.41 -2.24 -0.45 -4.69 114.28 107.17 3fg1 n THR 569 Ca 0.01 -0.64 0.08 0.00 -2.27 0.00 0.00 64.05 61.24 3fg1 n THR 569 Cb 0.35 0.91 0.23 0.00 -2.10 0.00 0.00 70.33 69.72 3fg1 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg1 h MET 570 N 4.05 0.30 -0.39 -0.78 4.05 -1.16 -1.47 114.93 119.53 3fg1 h MET 570 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3fg1 h MET 570 Cb 0.89 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 3fg1 h MET 570 CO 0.00 0.20 0.00 1.19 0.23 0.00 0.00 176.91 178.53 3fg1 n PHE 571 N -5.12 1.35 -2.98 1.39 3.01 -1.26 -4.96 117.46 108.89 3fg1 n PHE 571 Ca 0.17 -0.81 -0.40 0.00 1.01 0.00 0.00 57.45 57.43 3fg1 n PHE 571 Cb 0.53 -0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 39.57 3fg1 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg1 s GLU 572 N -2.73 4.54 -0.24 -1.08 2.02 -0.56 -5.05 118.70 115.60 3fg1 s GLU 572 Ca 0.46 1.12 -0.09 0.00 0.02 0.00 0.00 54.97 56.49 3fg1 s GLU 572 Cb 0.36 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3fg1 s GLU 572 CO 0.12 0.43 0.12 0.54 0.02 0.00 0.00 175.26 176.49 3fg1 s ASN 573 N -0.62 5.62 -0.04 -0.19 6.03 -1.26 -5.07 114.94 119.42 3fg1 s ASN 573 Ca 0.37 -0.05 -0.27 0.00 -1.03 0.00 0.00 52.86 51.88 3fg1 s ASN 573 Cb -0.22 -2.01 -0.03 0.00 -3.03 0.00 0.00 41.25 35.96 3fg1 s ASN 573 CO 0.25 0.02 0.85 0.26 -2.03 0.00 0.00 177.10 176.44 3fg1 s TRP 574 N 1.34 3.61 -0.01 1.54 0.52 -1.26 -4.89 118.94 119.79 3fg1 s TRP 574 Ca 0.06 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.67 3fg1 s TRP 574 Cb -0.15 -2.97 0.03 0.00 -1.15 0.00 0.00 33.47 29.23 3fg1 s TRP 574 CO 0.05 0.02 0.84 -0.40 0.02 0.00 0.00 176.95 177.49 3fg1 n ASP 575 N 3.92 1.23 -3.83 2.95 5.68 -1.26 -5.03 116.55 120.21 3fg1 n ASP 575 Ca 0.03 -1.76 -0.10 0.00 -0.50 0.00 0.00 54.79 52.46 3fg1 n ASP 575 Cb 0.51 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.36 3fg1 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg1 s SER 576 N -0.84 0.05 0.30 -1.12 1.04 -1.26 -4.98 113.70 106.90 3fg1 s SER 576 Ca 0.03 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 3fg1 s SER 576 Cb 0.03 0.33 0.51 0.00 0.10 0.00 0.00 66.02 66.98 3fg1 s SER 576 CO 0.00 -0.67 1.93 1.88 0.98 0.00 0.00 173.24 177.37 3fg1 h TYR 577 N 3.02 1.03 0.00 5.02 0.99 -1.97 -2.88 116.97 122.17 3fg1 h TYR 577 Ca -0.33 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.42 3fg1 h TYR 577 Cb 1.20 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.59 3fg1 h TYR 577 CO 0.45 0.58 0.00 -0.44 -0.00 0.00 0.00 178.16 178.75 3fg1 h ASP 578 N 1.05 0.00 -0.37 3.88 3.32 -2.01 -1.38 116.42 120.91 3fg1 h ASP 578 Ca 0.35 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.51 3fg1 h ASP 578 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3fg1 h ASP 578 CO -0.11 0.00 0.30 0.44 -1.72 0.00 0.00 179.24 178.15 3fg1 h ASP 579 N 0.00 0.00 0.93 6.45 3.45 -1.92 -2.27 116.42 123.06 3fg1 h ASP 579 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fg1 h ASP 579 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3fg1 h ASP 579 CO 0.00 0.00 0.00 1.88 -1.57 0.00 0.00 179.24 179.55 3fg1 h TYR 580 N 0.00 0.00 0.00 4.55 0.05 -1.43 -3.11 116.97 117.03 3fg1 h TYR 580 Ca 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 3fg1 h TYR 580 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 3fg1 h TYR 580 CO 0.00 0.00 -0.11 0.45 -1.05 0.00 0.00 178.16 177.45 3fg1 h HIS 581 N 0.00 0.00 0.00 4.88 3.86 -1.60 -2.11 115.15 120.18 3fg1 h HIS 581 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fg1 h HIS 581 Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3fg1 h HIS 581 CO 0.00 0.11 -0.01 0.97 0.86 0.00 0.00 177.93 179.86 3fg1 h ILE 582 N 0.00 0.73 0.00 2.45 2.10 -1.74 -3.12 117.51 117.94 3fg1 h ILE 582 Ca -0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3fg1 h ILE 582 Cb 0.22 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 3fg1 h ILE 582 CO 0.01 0.01 0.00 -0.07 -1.08 0.00 0.00 178.15 177.02 3fg1 h LEU 583 N 0.00 0.00 -1.47 2.19 3.38 -1.61 -1.81 115.31 115.98 3fg1 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 583 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fg1 h LEU 583 CO 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.38 3fg1 n TYR 584 N -2.71 0.00 -0.20 1.13 0.18 -1.18 -4.67 117.16 109.71 3fg1 n TYR 584 Ca 0.03 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.71 3fg1 n TYR 584 Cb 0.36 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.34 3fg1 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg1 h ARG 585 N 3.31 1.01 -0.89 -3.48 2.43 -1.41 -2.88 114.38 112.48 3fg1 h ARG 585 Ca 0.00 -0.32 -0.24 0.00 -0.81 0.00 0.00 59.98 58.61 3fg1 h ARG 585 Cb 0.78 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.09 3fg1 h ARG 585 CO 0.00 1.00 0.31 0.27 -1.51 0.00 0.00 179.97 180.04 3fg1 n ASN 586 N -4.23 3.89 -4.33 -3.80 6.94 -1.26 -4.89 115.26 107.57 3fg1 n ASN 586 Ca 0.02 -2.99 -0.29 0.00 -0.02 0.00 0.00 54.58 51.30 3fg1 n ASN 586 Cb 0.33 -0.71 -0.15 0.00 -2.36 0.00 0.00 39.78 36.90 3fg1 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg1 s TRP 587 N -2.36 2.23 -0.55 -2.53 0.52 -1.09 -4.91 118.94 110.25 3fg1 s TRP 587 Ca 0.41 -0.41 -0.20 0.00 0.02 0.00 0.00 56.10 55.92 3fg1 s TRP 587 Cb 0.33 -1.34 0.07 0.00 -1.15 0.00 0.00 33.47 31.38 3fg1 s TRP 587 CO 0.09 0.12 0.73 0.42 0.02 0.00 0.00 176.95 178.34 3fg1 s ILE 588 N -0.81 4.72 -0.86 2.03 1.01 -1.26 -4.91 121.20 121.13 3fg1 s ILE 588 Ca 0.11 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.40 3fg1 s ILE 588 Cb -0.10 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3fg1 s ILE 588 CO 0.02 -1.00 0.60 0.18 0.00 0.00 0.00 174.94 174.74 3fg1 n LEU 589 N 6.59 1.06 -4.56 2.97 4.77 -1.26 -4.96 117.00 121.61 3fg1 n LEU 589 Ca -0.06 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.85 3fg1 n LEU 589 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 3fg1 n LEU 589 CO 0.58 0.22 -0.19 -0.83 -1.33 0.00 0.00 177.39 175.83 3fg1 s GLY 590 N -1.56 1.90 0.00 -0.72 0.00 -1.26 -4.96 107.32 100.72 3fg1 s GLY 590 Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3fg1 s GLY 590 CO 0.31 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.65 3fg1 n GLY 591 N 5.03 3.94 3.54 0.20 0.00 -1.26 -5.05 105.19 111.59 3fg1 n GLY 591 Ca -0.14 -1.29 -0.50 0.00 0.00 0.00 0.00 46.02 44.09 3fg1 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg1 n THR 592 N -0.15 0.92 -1.62 2.61 -1.04 -1.26 -4.85 114.28 108.89 3fg1 n THR 592 Ca 0.00 -0.23 -0.53 0.00 -2.04 0.00 0.00 64.05 61.25 3fg1 n THR 592 Cb 0.00 -0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 3fg1 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg1 n PRO 593 N 1.57 1.16 0.00 -2.82 -0.02 -1.26 -4.81 135.00 128.82 3fg1 n PRO 593 Ca 0.16 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3fg1 n PRO 593 Cb 0.22 -2.07 0.64 0.00 -0.02 0.00 0.00 33.50 32.26 3fg1 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg1 n ASN 594 N 3.14 0.00 -0.99 2.55 2.04 -1.26 -1.30 115.26 119.44 3fg1 n ASN 594 Ca 0.20 -0.39 0.12 0.00 -0.44 0.00 0.00 54.58 54.07 3fg1 n ASN 594 Cb 0.18 -0.15 0.12 0.00 -2.53 0.00 0.00 39.78 37.40 3fg1 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg1 n MET 595 N -1.15 2.36 -0.07 -3.83 2.81 -1.26 -4.61 117.12 111.38 3fg1 n MET 595 Ca 0.14 -1.98 0.02 0.00 -1.81 0.00 0.00 57.70 54.06 3fg1 n MET 595 Cb 0.13 -1.47 0.33 0.00 -0.71 0.00 0.00 33.22 31.50 3fg1 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg1 h ALA 596 N 4.68 1.52 -0.01 3.04 0.00 -1.50 -0.41 119.26 126.58 3fg1 h ALA 596 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fg1 h ALA 596 Cb 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3fg1 h ALA 596 CO 0.00 0.39 -0.11 -0.40 0.00 0.00 0.00 179.25 179.13 3fg1 n ASP 597 N -4.40 1.29 0.00 0.00 3.85 -1.26 -4.38 116.55 111.65 3fg1 n ASP 597 Ca 0.04 -1.23 0.00 0.00 -0.71 0.00 0.00 54.79 52.89 3fg1 n ASP 597 Cb 0.11 0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3fg1 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg1 n ARG 598 N -0.18 0.00 0.05 0.11 1.85 -0.87 -4.89 116.66 112.72 3fg1 n ARG 598 Ca 0.16 -0.21 0.20 0.00 -1.00 0.00 0.00 57.85 57.00 3fg1 n ARG 598 Cb 0.35 -0.37 0.72 0.00 -1.05 0.00 0.00 32.46 32.11 3fg1 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg1 h TRP 599 N 0.00 0.00 -0.00 2.89 5.08 -1.29 -1.96 115.95 120.67 3fg1 h TRP 599 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fg1 h TRP 599 Cb 0.78 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.94 3fg1 h TRP 599 CO 0.00 0.00 -0.25 -2.39 -1.28 0.00 0.00 178.44 174.52 3fg1 n HIS 600 N -4.16 0.00 -3.18 0.12 1.44 -1.26 -4.44 115.22 103.74 3fg1 n HIS 600 Ca 0.08 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.40 3fg1 n HIS 600 Cb 0.57 -0.29 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 3fg1 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fg1 s GLU 601 N -2.84 4.39 0.23 -1.40 2.02 -0.74 -4.98 118.70 115.39 3fg1 s GLU 601 Ca 0.17 0.67 -0.06 0.00 0.02 0.00 0.00 54.97 55.77 3fg1 s GLU 601 Cb 0.19 -3.44 0.39 0.00 0.10 0.00 0.00 34.13 31.36 3fg1 s GLU 601 CO 0.59 0.10 1.74 -0.44 0.02 0.00 0.00 175.26 177.27 3fg1 h ASP 602 N 6.75 0.29 -0.81 -0.19 3.32 -1.88 0.10 116.42 124.00 3fg1 h ASP 602 Ca -0.41 0.09 0.12 0.00 0.02 0.00 0.00 57.03 56.86 3fg1 h ASP 602 Cb 1.19 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 3fg1 h ASP 602 CO 0.75 0.14 0.42 -0.09 -1.72 0.00 0.00 179.24 178.75 3fg1 h ARG 603 N 0.46 0.64 0.00 3.56 1.12 -1.94 -0.23 114.38 117.99 3fg1 h ARG 603 Ca 0.38 -0.04 -0.21 0.00 -1.11 0.00 0.00 59.98 59.00 3fg1 h ARG 603 Cb 0.52 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 3fg1 h ARG 603 CO -0.36 0.42 -1.11 -1.49 -3.11 0.00 0.00 179.97 174.32 3fg1 h TRP 604 N 0.66 0.00 -0.14 2.20 4.06 -1.45 -0.28 115.95 120.99 3fg1 h TRP 604 Ca 0.42 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.40 3fg1 h TRP 604 Cb 0.52 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.65 3fg1 h TRP 604 CO -0.09 0.87 -0.04 0.35 -3.56 0.00 0.00 178.44 175.97 3fg1 h PHE 605 N 0.00 -0.09 -0.59 0.49 3.57 -0.58 -3.10 116.94 116.64 3fg1 h PHE 605 Ca -0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 3fg1 h PHE 605 Cb 1.74 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.51 3fg1 h PHE 605 CO 0.00 -0.07 0.11 0.78 -2.23 0.00 0.00 178.31 176.91 3fg1 h GLY 606 N -0.01 1.05 0.21 2.40 0.00 -0.88 -3.05 103.07 102.79 3fg1 h GLY 606 Ca 0.07 -0.68 0.18 0.00 0.00 0.00 0.00 47.33 46.90 3fg1 h GLY 606 CO -0.15 0.63 0.62 -1.82 0.00 0.00 0.00 176.54 175.82 3fg1 h TYR 607 N 0.88 1.03 0.00 5.60 3.20 -0.99 -1.70 116.97 124.99 3fg1 h TYR 607 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3fg1 h TYR 607 Cb 0.40 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3fg1 h TYR 607 CO 0.03 0.27 0.00 1.04 -1.64 0.00 0.00 178.16 177.86 3fg1 n GLN 608 N -4.71 0.15 0.08 1.82 6.02 -1.15 -1.61 117.38 117.98 3fg1 n GLN 608 Ca 0.22 0.35 0.12 0.00 -0.01 0.00 0.00 57.00 57.68 3fg1 n GLN 608 Cb 0.54 -1.76 0.45 0.00 1.02 0.00 0.00 30.24 30.49 3fg1 n GLN 608 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fg1 n PHE 609 N -2.03 0.57 -0.11 1.08 3.01 -0.64 -1.33 117.46 118.01 3fg1 n PHE 609 Ca 0.03 0.20 -0.17 0.00 1.01 0.00 0.00 57.45 58.52 3fg1 n PHE 609 Cb 0.23 -0.82 -0.10 0.00 -0.01 0.00 0.00 39.48 38.78 3fg1 n PHE 609 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3fg1 n LEU 610 N -2.00 2.77 0.00 4.37 4.77 -0.65 -4.48 117.00 121.78 3fg1 n LEU 610 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3fg1 n LEU 610 Cb 0.29 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3fg1 n LEU 610 CO 0.22 0.81 0.38 0.59 -1.33 0.00 0.00 177.39 178.06 3fg1 n ASN 611 N -3.29 1.18 -0.46 -1.43 3.02 -0.63 -4.25 115.26 109.40 3fg1 n ASN 611 Ca -0.40 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3fg1 n ASN 611 Cb 0.90 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 3fg1 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg1 n GLY 612 N -0.28 1.56 0.24 7.41 0.00 -0.44 -4.94 105.19 108.75 3fg1 n GLY 612 Ca 0.00 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.21 3fg1 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 613 N -1.15 0.99 -1.82 4.61 0.00 -1.82 -3.36 119.26 116.70 3fg1 h ALA 613 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 3fg1 h ALA 613 Cb 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 3fg1 h ALA 613 CO 0.00 0.04 -0.80 -1.71 0.00 0.00 0.00 179.25 176.77 3fg1 n ASN 614 N -3.12 3.79 -1.11 0.00 4.05 -1.26 -4.36 115.26 113.26 3fg1 n ASN 614 Ca 0.02 -3.51 0.00 0.00 0.45 0.00 0.00 54.58 51.54 3fg1 n ASN 614 Cb 0.44 -0.53 0.00 0.00 1.23 0.00 0.00 39.78 40.92 3fg1 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg1 n PRO 615 N -0.25 0.96 -0.00 1.20 -0.04 -1.26 -4.07 135.00 131.54 3fg1 n PRO 615 Ca 0.31 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 3fg1 n PRO 615 Cb 0.57 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.99 3fg1 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg1 n VAL 616 N 0.73 0.00 -0.04 0.52 0.24 -1.26 -4.71 118.33 113.81 3fg1 n VAL 616 Ca 0.00 -0.42 0.01 0.00 -2.04 0.00 0.00 64.34 61.89 3fg1 n VAL 616 Cb 0.48 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.73 3fg1 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg1 n ILE 617 N -1.08 0.46 -1.87 1.34 3.06 -1.26 -4.97 119.36 115.04 3fg1 n ILE 617 Ca 0.01 -0.47 -0.41 0.00 -2.50 0.00 0.00 62.75 59.37 3fg1 n ILE 617 Cb 0.05 -0.21 -0.02 0.00 0.54 0.00 0.00 39.64 40.00 3fg1 n ILE 617 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3fg1 s LEU 618 N -4.54 4.36 0.11 9.51 2.96 -1.26 -4.71 118.68 125.11 3fg1 s LEU 618 Ca -0.06 2.85 0.03 0.00 -0.22 0.00 0.00 54.13 56.73 3fg1 s LEU 618 Cb 0.07 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 3fg1 s LEU 618 CO 0.62 -0.83 -0.09 0.42 -1.32 0.00 0.00 176.35 175.15 3fg1 s THR 619 N -0.07 0.92 0.22 3.68 -4.23 0.05 -4.92 115.64 111.30 3fg1 s THR 619 Ca 0.61 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 58.97 3fg1 s THR 619 Cb -0.45 -1.60 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 3fg1 s THR 619 CO 0.47 -0.72 1.39 -0.60 -0.54 0.00 0.00 174.62 174.63 3fg1 s ARG 620 N -3.40 4.31 -0.31 3.99 3.52 0.42 -0.44 118.95 127.05 3fg1 s ARG 620 Ca 0.11 2.20 -0.17 0.00 -0.13 0.00 0.00 55.73 57.74 3fg1 s ARG 620 Cb 0.01 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3fg1 s ARG 620 CO -0.01 -0.36 0.45 0.00 -0.81 0.00 0.00 175.30 174.56 3fg1 n ASP 622 N 5.52 0.64 -3.62 0.00 8.00 -1.26 -4.75 116.55 121.07 3fg1 n ASP 622 Ca -0.06 -0.03 -0.04 0.00 0.71 0.00 0.00 54.79 55.36 3fg1 n ASP 622 Cb 0.50 0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 3fg1 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ALA 623 N -3.24 -2.07 0.29 2.24 0.00 -1.26 -4.91 121.76 112.81 3fg1 s ALA 623 Ca 0.03 1.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 3fg1 s ALA 623 Cb 0.13 -1.19 -0.10 0.00 0.00 0.00 0.00 23.12 21.96 3fg1 s ALA 623 CO 0.79 -0.29 1.24 -0.51 0.00 0.00 0.00 175.76 176.98 3fg1 s LEU 624 N -1.14 4.47 0.60 0.00 2.01 -1.26 -4.97 118.68 118.38 3fg1 s LEU 624 Ca 0.06 2.50 -0.20 0.00 0.01 0.00 0.00 54.13 56.51 3fg1 s LEU 624 Cb -0.01 -3.64 -0.03 0.00 0.01 0.00 0.00 46.19 42.52 3fg1 s LEU 624 CO -0.05 -0.40 1.26 -2.65 1.01 0.00 0.00 176.35 175.52 3fg1 n PRO 625 N 1.21 1.31 0.10 1.29 -0.02 -1.26 -4.89 135.00 132.74 3fg1 n PRO 625 Ca 0.01 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.04 3fg1 n PRO 625 Cb 0.43 -2.48 0.52 0.00 -0.02 0.00 0.00 33.50 31.95 3fg1 n PRO 625 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg1 h SER 626 N 0.89 0.27 -0.33 2.55 4.64 -2.01 -1.11 113.55 118.44 3fg1 h SER 626 Ca -0.50 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3fg1 h SER 626 Cb 1.33 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fg1 h SER 626 CO 0.54 0.19 0.00 -0.46 -0.87 0.00 0.00 176.83 176.23 3fg1 n ASN 627 N -4.50 1.82 -3.45 4.97 2.04 -1.26 -4.42 115.26 110.46 3fg1 n ASN 627 Ca 0.01 -2.02 -0.26 0.00 -0.44 0.00 0.00 54.58 51.87 3fg1 n ASN 627 Cb 0.09 -0.23 -0.09 0.00 -2.53 0.00 0.00 39.78 37.01 3fg1 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3fg1 n PHE 628 N 0.46 0.70 -1.45 -2.53 7.35 -0.42 -4.03 117.46 117.54 3fg1 n PHE 628 Ca 0.11 -3.70 -0.39 0.00 -0.76 0.00 0.00 57.45 52.71 3fg1 n PHE 628 Cb 0.29 -0.18 -0.02 0.00 0.35 0.00 0.00 39.48 39.91 3fg1 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg1 n PRO 629 N 2.03 3.88 -2.67 -7.13 -0.04 -1.26 -4.47 135.00 125.34 3fg1 n PRO 629 Ca 0.26 -2.45 -0.42 0.00 -0.04 0.00 0.00 63.50 60.85 3fg1 n PRO 629 Cb 0.46 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.11 3fg1 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg1 s VAL 630 N 1.52 4.63 0.43 0.52 1.01 -1.26 -5.05 120.40 122.20 3fg1 s VAL 630 Ca 0.67 1.96 0.07 0.00 0.00 0.00 0.00 61.98 64.68 3fg1 s VAL 630 Cb 0.18 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3fg1 s VAL 630 CO -0.07 0.19 0.23 0.42 0.00 0.00 0.00 175.10 175.88 3fg1 s THR 631 N 0.73 2.22 0.37 3.92 -4.23 -1.26 -5.00 115.64 112.39 3fg1 s THR 631 Ca 0.52 -1.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.48 3fg1 s THR 631 Cb -0.23 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.06 3fg1 s THR 631 CO 0.29 0.00 1.93 -1.13 -0.54 0.00 0.00 174.62 175.17 3fg1 h ASN 632 N 1.27 0.63 -0.86 3.99 -1.24 -1.98 -2.28 115.58 115.12 3fg1 h ASN 632 Ca -0.42 0.02 0.05 0.00 0.71 0.00 0.00 56.30 56.66 3fg1 h ASN 632 Cb 1.26 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 40.14 3fg1 h ASN 632 CO 0.67 0.38 0.54 -0.33 -1.29 0.00 0.00 177.43 177.39 3fg1 h GLU 633 N 0.70 0.97 -0.89 6.67 3.07 -2.00 0.54 114.58 123.64 3fg1 h GLU 633 Ca 0.35 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 3fg1 h GLU 633 Cb 0.45 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 3fg1 h GLU 633 CO -0.13 0.64 0.49 0.45 -1.40 0.00 0.00 179.01 179.06 3fg1 h HIS 634 N 1.00 1.22 -0.01 4.33 3.86 -1.80 -3.34 115.15 120.41 3fg1 h HIS 634 Ca 0.36 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3fg1 h HIS 634 Cb 0.12 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3fg1 h HIS 634 CO -0.03 0.84 0.00 1.33 0.86 0.00 0.00 177.93 180.94 3fg1 n VAL 635 N -4.33 0.20 -0.23 2.45 0.24 -1.05 -4.75 118.33 110.85 3fg1 n VAL 635 Ca 0.09 -0.60 0.09 0.00 -2.04 0.00 0.00 64.34 61.89 3fg1 n VAL 635 Cb 0.10 0.93 0.36 0.00 -1.47 0.00 0.00 33.84 33.76 3fg1 n VAL 635 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3fg1 h ASN 636 N 0.37 0.67 0.47 -1.34 -1.24 -1.02 0.83 115.58 114.32 3fg1 h ASN 636 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3fg1 h ASN 636 Cb 0.17 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3fg1 h ASN 636 CO 0.00 0.39 0.00 0.00 -1.29 0.00 0.00 177.43 176.53 3fg1 h ALA 637 N 1.60 1.00 0.00 1.57 0.00 -1.85 -2.10 119.26 119.48 3fg1 h ALA 637 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3fg1 h ALA 637 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fg1 h ALA 637 CO -0.15 0.00 -0.96 0.43 0.00 0.00 0.00 179.25 178.57 3fg1 n SER 638 N -2.32 0.65 -4.82 0.00 7.64 0.28 -4.93 113.62 110.12 3fg1 n SER 638 Ca 0.01 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3fg1 n SER 638 Cb 0.16 0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 3fg1 n SER 638 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fg1 s LEU 639 N -4.30 4.36 0.00 -3.43 1.43 -0.79 -4.97 118.68 110.99 3fg1 s LEU 639 Ca 0.03 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3fg1 s LEU 639 Cb 0.13 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3fg1 s LEU 639 CO 0.78 0.06 0.72 -0.90 0.23 0.00 0.00 176.35 177.24 3fg1 n ASP 640 N 0.82 0.00 -0.92 2.29 5.75 -1.26 -4.84 116.55 118.39 3fg1 n ASP 640 Ca -0.03 -1.52 0.08 0.00 -0.01 0.00 0.00 54.79 53.31 3fg1 n ASP 640 Cb 0.51 -0.10 0.22 0.00 -1.03 0.00 0.00 41.12 40.72 3fg1 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg1 n ARG 641 N 0.00 2.83 -0.76 0.11 1.74 -1.26 -4.67 116.66 114.65 3fg1 n ARG 641 Ca 0.00 -2.30 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 3fg1 n ARG 641 Cb 0.60 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 3fg1 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg1 n GLY 642 N 0.95 0.65 3.34 -0.13 0.00 -1.26 -5.07 105.19 103.68 3fg1 n GLY 642 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3fg1 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg1 s LYS 643 N -0.24 1.31 0.75 1.61 1.02 -1.26 -5.16 119.74 117.77 3fg1 s LYS 643 Ca 0.00 -1.46 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 3fg1 s LYS 643 Cb 0.00 -1.34 0.12 0.00 -0.52 0.00 0.00 37.83 36.09 3fg1 s LYS 643 CO 0.00 0.26 1.04 -0.80 -0.92 0.00 0.00 175.35 174.93 3fg1 s ASN 644 N -2.81 4.28 0.19 2.83 0.01 -1.26 -4.78 114.94 113.40 3fg1 s ASN 644 Ca 0.18 -0.09 -0.13 0.00 -0.71 0.00 0.00 52.86 52.11 3fg1 s ASN 644 Cb -0.05 -0.32 0.19 0.00 0.41 0.00 0.00 41.25 41.47 3fg1 s ASN 644 CO 0.07 -1.92 1.70 0.25 -1.51 0.00 0.00 177.10 175.69 3fg1 h LEU 645 N -0.69 -0.13 -1.12 0.60 5.85 -1.95 -0.87 115.31 117.01 3fg1 h LEU 645 Ca -0.40 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3fg1 h LEU 645 Cb 1.27 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 3fg1 h LEU 645 CO 0.44 -0.04 0.60 -2.24 -0.34 0.00 0.00 178.44 176.86 3fg1 h ASP 646 N 0.16 1.02 -0.05 1.25 2.03 -1.99 0.28 116.42 119.12 3fg1 h ASP 646 Ca 0.25 -0.02 -0.19 0.00 -0.73 0.00 0.00 57.03 56.33 3fg1 h ASP 646 Cb 0.36 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3fg1 h ASP 646 CO -0.38 0.73 -0.67 -0.33 -1.03 0.00 0.00 179.24 177.57 3fg1 h GLU 647 N 1.20 0.67 -0.45 4.15 5.08 -1.75 -2.25 114.58 121.25 3fg1 h GLU 647 Ca 0.34 -0.49 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3fg1 h GLU 647 Cb -0.11 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3fg1 h GLU 647 CO -0.08 1.11 -0.22 0.93 -1.00 0.00 0.00 179.01 179.76 3fg1 h GLU 648 N 0.48 0.90 -0.33 2.33 4.39 -0.50 0.55 114.58 122.41 3fg1 h GLU 648 Ca -0.02 -0.38 0.06 0.00 0.34 0.00 0.00 59.36 59.37 3fg1 h GLU 648 Cb 1.26 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 3fg1 h GLU 648 CO 0.13 1.03 -0.05 0.82 -1.16 0.00 0.00 179.01 179.78 3fg1 h ILE 649 N 0.78 0.70 -0.03 3.13 2.04 -0.87 -2.00 117.51 121.26 3fg1 h ILE 649 Ca 0.10 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 3fg1 h ILE 649 Cb 0.77 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3fg1 h ILE 649 CO 0.06 0.01 -0.33 0.11 0.00 0.00 0.00 178.15 178.00 3fg1 h LYS 650 N 0.03 0.06 0.00 2.37 6.56 -1.00 -2.23 116.57 122.35 3fg1 h LYS 650 Ca 0.16 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 3fg1 h LYS 650 Cb 0.24 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 3fg1 h LYS 650 CO -0.32 0.38 0.00 -0.25 -2.06 0.00 0.00 179.45 177.20 3fg1 n ASP 651 N -4.13 0.00 -0.01 0.86 10.43 0.15 -4.91 116.55 118.94 3fg1 n ASP 651 Ca -0.02 0.06 -0.00 0.00 2.57 0.00 0.00 54.79 57.40 3fg1 n ASP 651 Cb 0.38 -0.34 -0.00 0.00 1.84 0.00 0.00 41.12 43.00 3fg1 n ASP 651 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fg1 n GLY 652 N 0.95 0.37 0.75 0.44 0.00 -0.84 -4.94 105.19 101.92 3fg1 n GLY 652 Ca 0.11 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.26 3fg1 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg1 n HIS 653 N -3.67 0.13 -4.54 1.61 8.25 -0.81 -4.67 115.22 111.53 3fg1 n HIS 653 Ca -0.00 -0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 3fg1 n HIS 653 Cb 0.34 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.31 3fg1 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg1 s ILE 654 N -1.37 3.24 0.23 1.59 -1.09 -1.25 -0.71 121.20 121.85 3fg1 s ILE 654 Ca 0.23 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 3fg1 s ILE 654 Cb 0.15 -2.40 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 3fg1 s ILE 654 CO 0.22 0.50 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.01 3fg1 s TYR 655 N 0.57 1.76 -0.01 3.97 1.51 -0.51 -0.71 117.35 123.94 3fg1 s TYR 655 Ca -0.06 -0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 55.20 3fg1 s TYR 655 Cb -0.15 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.83 3fg1 s TYR 655 CO 0.03 0.31 0.34 -1.50 -1.11 0.00 0.00 175.55 173.62 3fg1 s ILE 656 N -3.02 0.05 -0.03 2.71 2.07 0.41 -0.64 121.20 122.76 3fg1 s ILE 656 Ca 0.25 -0.45 0.07 0.00 -1.41 0.00 0.00 60.65 59.10 3fg1 s ILE 656 Cb 0.01 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 3fg1 s ILE 656 CO 0.08 -0.25 -0.23 0.68 -1.91 0.00 0.00 174.94 173.32 3fg1 s VAL 657 N -1.43 1.79 -0.22 4.00 -7.23 -0.52 -0.77 120.40 116.01 3fg1 s VAL 657 Ca -0.13 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 3fg1 s VAL 657 Cb -0.04 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.46 3fg1 s VAL 657 CO 0.04 0.51 0.02 -0.62 -0.31 0.00 0.00 175.10 174.73 3fg1 s ASP 658 N -0.43 3.35 -0.32 4.85 2.15 -1.26 -1.38 116.67 123.62 3fg1 s ASP 658 Ca 0.06 -1.04 0.02 0.00 0.43 0.00 0.00 52.55 52.02 3fg1 s ASP 658 Cb -0.10 -0.81 0.41 0.00 -0.30 0.00 0.00 42.92 42.12 3fg1 s ASP 658 CO 0.00 -0.30 1.68 0.49 -0.17 0.00 0.00 175.17 176.87 3fg1 n PHE 659 N 4.90 2.03 -0.30 -5.34 3.01 -0.19 -4.61 117.46 116.96 3fg1 n PHE 659 Ca -0.09 -1.56 0.24 0.00 1.01 0.00 0.00 57.45 57.06 3fg1 n PHE 659 Cb 0.45 -0.79 0.56 0.00 -0.01 0.00 0.00 39.48 39.70 3fg1 n PHE 659 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3fg1 h LYS 660 N 0.84 0.30 -0.28 -1.08 3.64 -1.80 -1.03 116.57 117.16 3fg1 h LYS 660 Ca 0.41 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.86 3fg1 h LYS 660 Cb 1.97 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 3fg1 h LYS 660 CO 0.78 0.20 0.32 -0.24 -2.27 0.00 0.00 179.45 178.24 3fg1 h VAL 661 N 0.31 0.40 0.00 2.00 3.04 -1.96 -1.71 116.25 118.32 3fg1 h VAL 661 Ca 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.24 3fg1 h VAL 661 Cb 1.57 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3fg1 h VAL 661 CO -0.21 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.53 3fg1 n LEU 662 N -3.71 0.44 -4.65 3.16 4.77 -0.39 -4.82 117.00 111.80 3fg1 n LEU 662 Ca 0.04 0.56 -0.46 0.00 -0.03 0.00 0.00 56.01 56.11 3fg1 n LEU 662 Cb 0.46 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3fg1 n LEU 662 CO 0.27 -0.19 1.04 0.52 -1.33 0.00 0.00 177.39 177.69 3fg1 n VAL 663 N -1.93 0.48 -0.19 4.08 0.31 -0.65 -0.97 118.33 119.46 3fg1 n VAL 663 Ca 0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3fg1 n VAL 663 Cb 0.34 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3fg1 n VAL 663 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fg1 n GLY 664 N 2.66 1.13 3.77 2.92 0.00 0.20 -5.00 105.19 110.87 3fg1 n GLY 664 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3fg1 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 s ALA 665 N -2.66 3.56 -0.27 4.61 0.00 -0.14 -4.48 121.76 122.37 3fg1 s ALA 665 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 3fg1 s ALA 665 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3fg1 s ALA 665 CO 0.00 -0.85 0.10 0.21 0.00 0.00 0.00 175.76 175.23 3fg1 s LYS 666 N -1.70 3.52 0.26 0.00 2.47 -1.26 -1.39 119.74 121.62 3fg1 s LYS 666 Ca 0.52 -0.58 0.03 0.00 -1.56 0.00 0.00 55.97 54.39 3fg1 s LYS 666 Cb -0.43 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.48 3fg1 s LYS 666 CO 0.56 -0.29 0.40 -1.54 0.16 0.00 0.00 175.35 174.65 3fg1 s SER 667 N 1.61 6.32 0.10 1.43 1.04 -0.36 -3.79 113.70 120.06 3fg1 s SER 667 Ca 0.05 0.19 -0.35 0.00 0.48 0.00 0.00 55.95 56.32 3fg1 s SER 667 Cb -0.16 -1.92 -0.15 0.00 0.10 0.00 0.00 66.02 63.89 3fg1 s SER 667 CO 0.05 -0.11 1.49 0.00 0.98 0.00 0.00 173.24 175.65 3fg1 n TYR 668 N -1.38 1.94 0.00 5.02 9.36 -0.22 -1.52 117.16 130.36 3fg1 n TYR 668 Ca -0.08 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3fg1 n TYR 668 Cb 0.56 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 3fg1 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 669 N 3.09 0.22 0.00 2.98 0.00 -1.26 -1.30 105.19 108.92 3fg1 n GLY 669 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3fg1 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 670 N -2.00 2.07 3.76 -0.02 0.00 -0.58 -4.94 105.19 103.49 3fg1 n GLY 670 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fg1 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg1 n PRO 671 N -0.38 2.62 -4.36 1.61 -0.02 -1.24 -4.79 135.00 128.43 3fg1 n PRO 671 Ca 0.00 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 62.07 3fg1 n PRO 671 Cb 0.00 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 30.68 3fg1 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg1 s VAL 672 N -0.89 2.72 0.05 -1.45 1.01 -1.26 -1.22 120.40 119.36 3fg1 s VAL 672 Ca 0.56 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 3fg1 s VAL 672 Cb -0.49 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3fg1 s VAL 672 CO 0.61 0.50 1.27 -0.22 0.00 0.00 0.00 175.10 177.26 3fg1 s LEU 673 N 0.98 4.35 0.45 3.92 2.96 -0.49 -4.81 118.68 126.05 3fg1 s LEU 673 Ca -0.02 2.08 0.07 0.00 -0.22 0.00 0.00 54.13 56.04 3fg1 s LEU 673 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3fg1 s LEU 673 CO -0.02 -0.56 0.25 -1.61 -1.32 0.00 0.00 176.35 173.09 3fg1 s GLU 674 N 1.37 2.29 0.41 1.98 2.02 0.74 0.58 118.70 128.08 3fg1 s GLU 674 Ca 0.61 -1.86 0.11 0.00 0.02 0.00 0.00 54.97 53.85 3fg1 s GLU 674 Cb -0.31 -2.05 0.94 0.00 0.10 0.00 0.00 34.13 32.81 3fg1 s GLU 674 CO 0.28 -0.25 1.96 0.38 0.02 0.00 0.00 175.26 177.65 3fg1 h ASP 675 N 1.21 0.47 0.63 -0.19 2.03 -1.98 -0.80 116.42 117.78 3fg1 h ASP 675 Ca -0.41 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 3fg1 h ASP 675 Cb 1.27 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3fg1 h ASP 675 CO 0.65 0.28 -0.15 2.30 -1.03 0.00 0.00 179.24 181.29 3fg1 n ILE 676 N -4.48 0.00 0.00 4.15 -6.64 -1.26 -0.80 119.36 110.32 3fg1 n ILE 676 Ca 0.11 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.07 3fg1 n ILE 676 Cb 0.36 -0.19 0.00 0.00 -1.44 0.00 0.00 39.64 38.37 3fg1 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fg1 n GLY 677 N 1.40 0.53 3.14 3.28 0.00 -0.31 -4.89 105.19 108.34 3fg1 n GLY 677 Ca 0.10 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3fg1 n GLY 677 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg1 s TYR 678 N 0.00 1.31 0.17 1.61 1.51 -1.26 -0.19 117.35 120.50 3fg1 s TYR 678 Ca 0.00 -0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3fg1 s TYR 678 Cb 0.00 -0.80 0.05 0.00 -0.11 0.00 0.00 41.96 41.10 3fg1 s TYR 678 CO 0.00 0.02 1.47 1.57 -1.11 0.00 0.00 175.55 177.49 3fg1 h LYS 679 N 5.31 0.61 -0.26 -0.62 -0.00 -1.95 -3.50 116.57 116.16 3fg1 h LYS 679 Ca -0.37 -0.41 0.00 0.00 -0.00 0.00 0.00 60.65 59.88 3fg1 h LYS 679 Cb 1.17 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3fg1 h LYS 679 CO 0.46 1.02 -0.07 0.00 -0.00 0.00 0.00 179.45 180.87 3fg1 n ALA 689 N -2.53 -0.75 -2.64 0.07 0.00 -1.26 -5.18 120.51 108.22 3fg1 n ALA 689 Ca -0.04 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3fg1 n ALA 689 Cb 0.63 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3fg1 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fg1 s ASP 690 N -3.00 6.48 -0.12 0.00 3.68 -1.26 -4.97 116.67 117.49 3fg1 s ASP 690 Ca 0.00 -1.45 0.02 0.00 2.13 0.00 0.00 52.55 53.26 3fg1 s ASP 690 Cb 0.00 -2.53 0.01 0.00 -1.45 0.00 0.00 42.92 38.95 3fg1 s ASP 690 CO 0.00 -1.46 -0.20 -0.63 0.13 0.00 0.00 175.17 173.02 3fg1 s ILE 691 N 4.60 1.84 0.21 4.11 1.01 -1.26 -3.98 121.20 127.72 3fg1 s ILE 691 Ca 0.42 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 60.32 3fg1 s ILE 691 Cb -0.02 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3fg1 s ILE 691 CO -0.07 0.51 -0.22 -0.13 0.00 0.00 0.00 174.94 175.03 3fg1 s ARG 692 N 0.79 1.51 0.05 2.79 0.52 -0.42 -4.57 118.95 119.64 3fg1 s ARG 692 Ca -0.09 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 53.60 3fg1 s ARG 692 Cb -0.16 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 3fg1 s ARG 692 CO 0.00 0.37 -0.10 0.71 0.02 0.00 0.00 175.30 176.29 3fg1 s TYR 693 N -1.89 0.88 0.00 -0.53 1.51 0.09 -4.50 117.35 112.90 3fg1 s TYR 693 Ca 0.22 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3fg1 s TYR 693 Cb -0.07 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 3fg1 s TYR 693 CO 0.10 -0.03 0.00 0.00 -1.11 0.00 0.00 175.55 174.52 3fg1 s ALA 695 N -2.00 -1.19 -0.61 0.00 0.00 -1.26 -4.96 121.76 111.74 3fg1 s ALA 695 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.08 3fg1 s ALA 695 Cb 0.00 0.83 0.23 0.00 0.00 0.00 0.00 23.12 24.18 3fg1 s ALA 695 CO 0.00 -0.77 0.65 0.00 0.00 0.00 0.00 175.76 175.64 3fg1 n ALA 696 N -0.34 3.67 -1.90 0.00 0.00 -1.21 -4.63 120.51 116.10 3fg1 n ALA 696 Ca -0.13 -4.46 -0.30 0.00 0.00 0.00 0.00 53.44 48.54 3fg1 n ALA 696 Cb 0.63 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 19.21 3fg1 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 697 N -2.00 3.08 0.07 0.00 0.04 -0.94 -3.46 135.00 131.77 3fg1 s PRO 697 Ca 0.36 0.50 0.06 0.00 0.04 0.00 0.00 61.00 61.96 3fg1 s PRO 697 Cb 0.11 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3fg1 s PRO 697 CO -0.06 -0.87 -0.11 -0.51 0.04 0.00 0.00 177.00 175.49 3fg1 s LEU 698 N -5.27 2.98 -0.04 -3.56 1.02 -0.24 -1.02 118.68 112.55 3fg1 s LEU 698 Ca 0.57 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.34 3fg1 s LEU 698 Cb -0.11 -1.76 0.01 0.00 0.02 0.00 0.00 46.19 44.35 3fg1 s LEU 698 CO 0.52 0.22 0.11 0.00 0.02 0.00 0.00 176.35 177.21 3fg1 s ALA 699 N -1.11 -0.26 -0.02 4.21 0.00 -0.48 -0.97 121.76 123.12 3fg1 s ALA 699 Ca 0.19 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.50 3fg1 s ALA 699 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3fg1 s ALA 699 CO 0.11 -0.06 -0.04 -1.17 0.00 0.00 0.00 175.76 174.60 3fg1 s LEU 700 N 0.16 3.31 0.07 0.00 2.96 0.59 -1.44 118.68 124.33 3fg1 s LEU 700 Ca -0.01 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3fg1 s LEU 700 Cb -0.02 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3fg1 s LEU 700 CO -0.00 0.31 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.88 3fg1 s PHE 701 N -0.98 0.93 -0.04 5.38 0.40 0.19 -0.36 117.98 123.49 3fg1 s PHE 701 Ca 0.17 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 3fg1 s PHE 701 Cb -0.11 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.91 3fg1 s PHE 701 CO 0.07 -0.04 -0.04 -0.47 0.70 0.00 0.00 175.22 175.44 3fg1 s TYR 702 N -2.03 0.63 -0.51 0.36 5.04 0.84 -1.43 117.35 120.25 3fg1 s TYR 702 Ca -0.00 -0.15 -0.27 0.00 -2.44 0.00 0.00 57.07 54.20 3fg1 s TYR 702 Cb -0.06 -0.58 0.03 0.00 0.35 0.00 0.00 41.96 41.71 3fg1 s TYR 702 CO -0.00 -0.16 1.09 0.08 -1.34 0.00 0.00 175.55 175.22 3fg1 s VAL 703 N 0.85 4.23 0.95 3.14 1.01 0.11 -0.34 120.40 130.35 3fg1 s VAL 703 Ca -0.11 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 3fg1 s VAL 703 Cb -0.14 -4.60 0.17 0.00 0.00 0.00 0.00 36.38 31.82 3fg1 s VAL 703 CO -0.00 -1.08 1.25 0.54 0.00 0.00 0.00 175.10 175.80 3fg1 s ASN 704 N 2.61 3.25 0.55 3.32 2.20 -0.18 -4.84 114.94 121.84 3fg1 s ASN 704 Ca 0.42 0.51 0.36 0.00 -0.94 0.00 0.00 52.86 53.22 3fg1 s ASN 704 Cb -0.08 -0.74 1.86 0.00 -2.00 0.00 0.00 41.25 40.28 3fg1 s ASN 704 CO 0.28 -2.67 2.10 0.07 -2.94 0.00 0.00 177.10 173.94 3fg1 h LYS 705 N -1.59 0.00 -0.05 3.55 2.10 -1.90 0.01 116.57 118.70 3fg1 h LYS 705 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3fg1 h LYS 705 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3fg1 h LYS 705 CO 0.47 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.20 3fg1 n LEU 706 N -2.86 1.25 0.00 7.07 4.77 -1.26 -4.93 117.00 121.05 3fg1 n LEU 706 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3fg1 n LEU 706 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3fg1 n LEU 706 CO 0.20 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3fg1 n GLY 707 N 1.12 0.61 3.77 -0.72 0.00 -0.01 -5.05 105.19 104.91 3fg1 n GLY 707 Ca 0.19 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3fg1 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 708 N -2.00 3.71 -0.42 1.61 3.76 -1.26 -4.64 115.29 116.05 3fg1 s HIS 708 Ca 0.00 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 55.86 3fg1 s HIS 708 Cb 0.00 -2.61 0.02 0.00 1.11 0.00 0.00 32.58 31.11 3fg1 s HIS 708 CO 0.00 0.39 1.05 -1.17 -0.85 0.00 0.00 174.74 174.16 3fg1 s LEU 709 N -0.34 3.82 -0.09 0.89 2.96 -1.26 -1.01 118.68 123.65 3fg1 s LEU 709 Ca 0.31 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3fg1 s LEU 709 Cb -0.19 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3fg1 s LEU 709 CO 0.18 -1.08 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.05 3fg1 s MET 710 N 4.01 3.01 -0.11 1.98 -1.94 0.54 -3.96 119.30 122.84 3fg1 s MET 710 Ca 0.44 -0.51 -0.30 0.00 -1.71 0.00 0.00 55.69 53.62 3fg1 s MET 710 Cb -0.09 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 3fg1 s MET 710 CO 0.25 0.58 1.23 -1.25 -0.01 0.00 0.00 175.02 175.82 3fg1 s PRO 711 N -0.56 4.30 -0.01 2.03 0.04 -1.26 -0.11 135.00 139.42 3fg1 s PRO 711 Ca 0.09 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3fg1 s PRO 711 Cb -0.12 -3.65 -0.06 0.00 0.04 0.00 0.00 34.50 30.71 3fg1 s PRO 711 CO 0.02 -0.57 0.09 0.44 0.04 0.00 0.00 177.00 177.02 3fg1 n ILE 712 N 4.96 0.00 -3.63 0.56 -5.35 0.51 -4.67 119.36 111.73 3fg1 n ILE 712 Ca 0.12 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 3fg1 n ILE 712 Cb 0.46 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 3fg1 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 s ALA 713 N -2.22 -1.57 -0.02 -1.28 0.00 -1.12 -4.38 121.76 111.18 3fg1 s ALA 713 Ca -0.01 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.56 3fg1 s ALA 713 Cb 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3fg1 s ALA 713 CO 0.16 -0.31 -0.06 0.42 0.00 0.00 0.00 175.76 175.96 3fg1 s ILE 714 N -0.10 0.59 -0.19 0.00 1.01 0.02 -0.30 121.20 122.24 3fg1 s ILE 714 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3fg1 s ILE 714 Cb -0.04 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.91 3fg1 s ILE 714 CO 0.03 0.20 -0.18 -1.58 0.00 0.00 0.00 174.94 173.41 3fg1 s GLN 715 N 0.32 2.94 0.32 2.79 0.74 -0.15 -0.57 119.66 126.06 3fg1 s GLN 715 Ca -0.04 -0.87 0.04 0.00 0.05 0.00 0.00 55.36 54.55 3fg1 s GLN 715 Cb -0.09 -2.62 0.55 0.00 1.10 0.00 0.00 33.01 31.95 3fg1 s GLN 715 CO 0.00 -0.24 1.82 0.82 -0.55 0.00 0.00 175.29 177.14 3fg1 h ILE 716 N 6.00 1.22 -2.78 -2.34 2.04 -1.83 -0.61 117.51 119.21 3fg1 h ILE 716 Ca -0.43 -0.98 -0.58 0.00 1.00 0.00 0.00 64.86 63.87 3fg1 h ILE 716 Cb 1.13 1.14 -0.13 0.00 -0.74 0.00 0.00 36.82 38.23 3fg1 h ILE 716 CO 0.62 0.32 -0.49 0.20 0.00 0.00 0.00 178.15 178.80 3fg1 s ASN 717 N -6.78 2.84 0.10 1.72 0.01 -1.26 -2.23 114.94 109.35 3fg1 s ASN 717 Ca -0.07 -1.75 -0.02 0.00 -0.71 0.00 0.00 52.86 50.31 3fg1 s ASN 717 Cb 0.15 0.61 -0.20 0.00 0.41 0.00 0.00 41.25 42.22 3fg1 s ASN 717 CO 0.77 -1.00 1.22 1.56 -1.51 0.00 0.00 177.10 178.14 3fg1 h GLN 718 N 1.74 0.26 -4.59 -0.60 1.08 -1.38 -3.42 115.11 108.20 3fg1 h GLN 718 Ca -0.33 -0.38 -0.70 0.00 -1.45 0.00 0.00 58.65 55.79 3fg1 h GLN 718 Cb 1.27 0.13 -0.21 0.00 -0.05 0.00 0.00 27.48 28.63 3fg1 h GLN 718 CO 0.52 1.14 -0.46 -2.00 -0.95 0.00 0.00 178.83 177.08 3fg1 s GLU 719 N -2.85 3.13 0.62 1.46 2.56 0.02 -4.79 118.70 118.85 3fg1 s GLU 719 Ca -0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 54.97 53.90 3fg1 s GLU 719 Cb 0.08 -3.88 -0.03 0.00 2.00 0.00 0.00 34.13 32.30 3fg1 s GLU 719 CO 0.87 -0.64 1.04 -1.25 -0.56 0.00 0.00 175.26 174.72 3fg1 s PRO 720 N 1.68 3.32 0.00 4.30 0.04 -1.26 -4.73 135.00 138.35 3fg1 s PRO 720 Ca 0.05 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3fg1 s PRO 720 Cb -0.18 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3fg1 s PRO 720 CO 0.10 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.75 3fg1 n GLY 721 N -1.65 -2.25 0.26 0.56 0.00 -1.14 -4.89 105.19 96.08 3fg1 n GLY 721 Ca 0.08 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 45.02 3fg1 n GLY 721 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fg1 h PRO 722 N 0.00 0.00 -0.01 1.61 0.13 -1.95 -1.05 132.00 130.74 3fg1 h PRO 722 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fg1 h PRO 722 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fg1 h PRO 722 CO 0.00 0.10 -0.19 0.39 -0.23 0.00 0.00 178.00 178.07 3fg1 n GLU 723 N -3.32 0.70 -3.20 0.86 1.02 -1.26 -4.30 120.64 111.15 3fg1 n GLU 723 Ca -0.01 -0.33 -0.24 0.00 -0.02 0.00 0.00 57.16 56.57 3fg1 n GLU 723 Cb 0.30 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 3fg1 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg1 n ASN 724 N -0.86 0.12 -2.75 1.62 5.15 -0.42 -4.28 115.26 113.84 3fg1 n ASN 724 Ca 0.13 -2.68 -0.08 0.00 -0.60 0.00 0.00 54.58 51.35 3fg1 n ASN 724 Cb 0.31 -0.62 0.04 0.00 -0.53 0.00 0.00 39.78 38.98 3fg1 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fg1 n PRO 725 N 1.47 0.23 -3.27 1.20 -0.04 -1.05 -2.89 135.00 130.66 3fg1 n PRO 725 Ca 0.21 -0.80 -0.39 0.00 -0.04 0.00 0.00 63.50 62.48 3fg1 n PRO 725 Cb 0.53 -0.25 -0.07 0.00 -0.04 0.00 0.00 33.50 33.67 3fg1 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg1 s ILE 726 N -1.02 5.13 0.01 0.52 1.01 -1.26 -4.40 121.20 121.19 3fg1 s ILE 726 Ca 0.21 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.81 3fg1 s ILE 726 Cb -0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3fg1 s ILE 726 CO 0.14 0.21 0.05 0.26 0.00 0.00 0.00 174.94 175.60 3fg1 s TRP 727 N 1.40 3.18 0.16 3.97 0.52 0.26 -4.95 118.94 123.49 3fg1 s TRP 727 Ca 0.24 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.50 3fg1 s TRP 727 Cb -0.15 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3fg1 s TRP 727 CO 0.10 0.51 0.03 0.95 0.02 0.00 0.00 176.95 178.55 3fg1 s THR 728 N -1.18 0.44 -0.10 2.01 -4.23 -1.26 -0.80 115.64 110.51 3fg1 s THR 728 Ca 0.22 -1.95 0.21 0.00 -1.18 0.00 0.00 61.69 59.00 3fg1 s THR 728 Cb -0.12 -2.10 0.21 0.00 1.34 0.00 0.00 72.50 71.84 3fg1 s THR 728 CO 0.14 -0.47 1.63 -0.65 -0.54 0.00 0.00 174.62 174.73 3fg1 h PRO 729 N 2.76 0.00 -0.59 3.99 0.11 -1.83 -2.36 132.00 134.08 3fg1 h PRO 729 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3fg1 h PRO 729 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fg1 h PRO 729 CO 0.61 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.12 3fg1 n HIS 730 N -2.27 0.99 -1.54 0.65 8.25 -1.26 -4.98 115.22 115.06 3fg1 n HIS 730 Ca -0.01 -0.42 -0.48 0.00 -0.26 0.00 0.00 57.72 56.55 3fg1 n HIS 730 Cb 0.09 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3fg1 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg1 n GLU 731 N 0.89 0.93 -0.33 -0.41 -0.58 -0.89 -4.87 120.64 115.38 3fg1 n GLU 731 Ca 0.19 0.33 -0.04 0.00 -0.42 0.00 0.00 57.16 57.22 3fg1 n GLU 731 Cb 0.62 -1.68 0.09 0.00 -0.57 0.00 0.00 31.44 29.89 3fg1 n GLU 731 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3fg1 h GLU 732 N 2.40 1.20 -4.52 3.49 5.08 -1.93 -3.33 114.58 116.97 3fg1 h GLU 732 Ca -0.39 -0.10 -0.72 0.00 -1.00 0.00 0.00 59.36 57.15 3fg1 h GLU 732 Cb 1.37 -0.26 -0.21 0.00 0.50 0.00 0.00 28.75 30.15 3fg1 h GLU 732 CO 0.64 0.83 -0.22 1.21 -1.00 0.00 0.00 179.01 180.47 3fg1 s ASN 733 N -6.09 6.17 0.51 1.42 2.47 -1.26 -4.96 114.94 113.20 3fg1 s ASN 733 Ca -0.13 -1.18 0.22 0.00 0.42 0.00 0.00 52.86 52.20 3fg1 s ASN 733 Cb 0.17 -2.22 1.31 0.00 -1.45 0.00 0.00 41.25 39.06 3fg1 s ASN 733 CO 0.81 -0.71 2.00 1.05 -3.72 0.00 0.00 177.10 176.53 3fg1 h GLU 734 N 8.82 0.09 0.00 0.43 4.11 -1.95 -0.51 114.58 125.56 3fg1 h GLU 734 Ca -0.28 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.09 3fg1 h GLU 734 Cb 1.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3fg1 h GLU 734 CO 0.90 0.06 -0.27 0.45 0.07 0.00 0.00 179.01 180.22 3fg1 h HIS 735 N 0.09 0.00 -0.20 2.06 3.86 -1.93 -2.33 115.15 116.70 3fg1 h HIS 735 Ca 0.25 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 3fg1 h HIS 735 Cb 0.87 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 3fg1 h HIS 735 CO -0.00 0.27 -0.30 -0.44 0.86 0.00 0.00 177.93 178.32 3fg1 h ASP 736 N 0.00 0.41 -0.18 2.45 3.32 -1.35 0.73 116.42 121.79 3fg1 h ASP 736 Ca -0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3fg1 h ASP 736 Cb 0.54 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3fg1 h ASP 736 CO 0.04 0.70 -0.45 -0.25 -1.72 0.00 0.00 179.24 177.55 3fg1 h TRP 737 N 0.35 0.79 -0.30 4.55 -0.00 -1.51 -1.95 115.95 117.89 3fg1 h TRP 737 Ca 0.05 -0.31 0.00 0.00 -0.00 0.00 0.00 58.89 58.63 3fg1 h TRP 737 Cb 0.71 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 3fg1 h TRP 737 CO 0.02 1.08 0.19 1.98 -0.00 0.00 0.00 178.44 181.71 3fg1 h MET 738 N 0.29 0.40 -0.98 2.65 4.05 -1.21 -1.94 114.93 118.19 3fg1 h MET 738 Ca -0.01 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3fg1 h MET 738 Cb 1.06 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.73 3fg1 h MET 738 CO 0.10 0.27 0.65 1.98 0.23 0.00 0.00 176.91 180.14 3fg1 h MET 739 N 0.40 1.29 -0.81 0.39 1.85 -0.84 -1.65 114.93 115.56 3fg1 h MET 739 Ca 0.11 -0.08 0.01 0.00 -0.61 0.00 0.00 59.70 59.13 3fg1 h MET 739 Cb -0.03 -0.29 -0.04 0.00 0.43 0.00 0.00 31.60 31.67 3fg1 h MET 739 CO -0.02 0.85 0.53 0.00 -0.40 0.00 0.00 176.91 177.87 3fg1 h ALA 740 N 1.36 1.02 -0.76 0.39 0.00 -0.98 -1.18 119.26 119.11 3fg1 h ALA 740 Ca 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3fg1 h ALA 740 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.27 3fg1 h ALA 740 CO -0.08 0.44 0.40 0.87 0.00 0.00 0.00 179.25 180.89 3fg1 h LYS 741 N 1.10 1.07 -0.17 0.00 1.57 -0.60 -0.67 116.57 118.86 3fg1 h LYS 741 Ca 0.29 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3fg1 h LYS 741 Cb -0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3fg1 h LYS 741 CO -0.06 0.79 -0.40 0.74 -0.57 0.00 0.00 179.45 179.95 3fg1 h PHE 742 N 1.07 0.45 -0.47 -1.35 0.05 -0.68 -0.47 116.94 115.55 3fg1 h PHE 742 Ca 0.27 -0.12 -0.10 0.00 3.82 0.00 0.00 57.97 61.83 3fg1 h PHE 742 Cb 0.05 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 3fg1 h PHE 742 CO 0.01 0.73 -0.11 -1.49 -0.18 0.00 0.00 178.31 177.26 3fg1 h TRP 743 N 0.32 0.95 -0.70 -0.55 4.06 -0.65 -0.86 115.95 118.52 3fg1 h TRP 743 Ca 0.03 -0.18 -0.06 0.00 2.06 0.00 0.00 58.89 60.74 3fg1 h TRP 743 Cb 0.85 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 3fg1 h TRP 743 CO 0.02 0.92 0.22 1.25 -3.56 0.00 0.00 178.44 177.30 3fg1 h LEU 744 N 0.77 1.02 -0.61 -4.49 5.85 -0.85 -2.87 115.31 114.13 3fg1 h LEU 744 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3fg1 h LEU 744 Cb 0.63 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3fg1 h LEU 744 CO 0.04 0.96 0.29 1.23 -0.34 0.00 0.00 178.44 180.62 3fg1 h GLY 745 N 1.03 0.94 1.48 3.75 0.00 -0.59 -0.52 103.07 109.16 3fg1 h GLY 745 Ca 0.23 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3fg1 h GLY 745 CO -0.01 0.44 -0.20 -0.24 0.00 0.00 0.00 176.54 176.53 3fg1 h VAL 746 N 0.84 1.26 0.20 4.60 3.04 -1.09 0.41 116.25 125.50 3fg1 h VAL 746 Ca 0.21 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 3fg1 h VAL 746 Cb 0.12 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3fg1 h VAL 746 CO -0.03 0.40 -0.09 0.00 -1.01 0.00 0.00 177.57 176.84 3fg1 h ALA 747 N 1.24 -0.26 -0.66 3.17 0.00 -1.28 -2.04 119.26 119.42 3fg1 h ALA 747 Ca 0.08 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3fg1 h ALA 747 Cb 0.65 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3fg1 h ALA 747 CO 0.05 -0.53 0.25 1.49 0.00 0.00 0.00 179.25 180.51 3fg1 h GLU 748 N -0.51 0.41 -0.21 0.00 4.81 -0.88 -1.02 114.58 117.19 3fg1 h GLU 748 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3fg1 h GLU 748 Cb 0.38 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3fg1 h GLU 748 CO 0.04 0.27 0.09 0.77 -0.73 0.00 0.00 179.01 179.46 3fg1 h SER 749 N 0.42 0.27 -0.44 1.04 0.02 -0.80 0.33 113.55 114.39 3fg1 h SER 749 Ca 0.35 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3fg1 h SER 749 Cb 0.46 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3fg1 h SER 749 CO -0.35 0.33 0.03 0.78 -1.14 0.00 0.00 176.83 176.48 3fg1 h ASN 750 N 0.20 0.74 -0.24 3.07 4.21 -1.15 -1.70 115.58 120.70 3fg1 h ASN 750 Ca 0.07 -0.29 0.02 0.00 1.21 0.00 0.00 56.30 57.31 3fg1 h ASN 750 Cb 0.14 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 3fg1 h ASN 750 CO -0.01 0.85 0.09 0.15 -1.29 0.00 0.00 177.43 177.22 3fg1 h PHE 751 N 0.61 0.17 0.29 1.19 3.57 -1.08 -2.71 116.94 118.97 3fg1 h PHE 751 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fg1 h PHE 751 Cb 0.45 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3fg1 h PHE 751 CO 0.03 0.08 -0.16 1.25 -2.23 0.00 0.00 178.31 177.29 3fg1 h HIS 752 N 0.21 -0.41 -0.40 0.41 2.76 -0.27 -0.01 115.15 117.43 3fg1 h HIS 752 Ca 0.10 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.11 3fg1 h HIS 752 Cb 0.06 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3fg1 h HIS 752 CO -0.12 -0.25 -0.35 1.96 -1.30 0.00 0.00 177.93 177.87 3fg1 h GLN 753 N -0.42 0.95 0.10 5.26 4.20 -1.35 0.19 115.11 124.03 3fg1 h GLN 753 Ca -0.03 -0.48 -0.34 0.00 0.06 0.00 0.00 58.65 57.86 3fg1 h GLN 753 Cb 0.34 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3fg1 h GLN 753 CO 0.04 1.14 -1.84 1.28 -0.67 0.00 0.00 178.83 178.78 3fg1 n LEU 754 N -4.08 2.46 -0.04 1.46 4.77 -1.02 -1.35 117.00 119.20 3fg1 n LEU 754 Ca -0.02 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 3fg1 n LEU 754 Cb 0.53 -1.08 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 3fg1 n LEU 754 CO 0.48 0.73 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.85 3fg1 n ASN 755 N -3.70 1.09 -0.18 -1.43 5.15 -0.07 -1.24 115.26 114.87 3fg1 n ASN 755 Ca -0.32 0.46 -0.06 0.00 -0.60 0.00 0.00 54.58 54.06 3fg1 n ASN 755 Cb 0.96 -0.72 0.04 0.00 -0.53 0.00 0.00 39.78 39.53 3fg1 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg1 h THR 756 N -0.60 1.09 0.00 -0.44 2.02 -1.20 -0.69 112.91 113.09 3fg1 h THR 756 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3fg1 h THR 756 Cb 0.32 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3fg1 h THR 756 CO 0.00 0.12 -0.05 1.57 0.37 0.00 0.00 175.52 177.53 3fg1 n HIS 757 N -4.75 0.09 0.16 3.16 -0.00 0.65 -3.84 115.22 110.68 3fg1 n HIS 757 Ca 0.04 0.04 -0.14 0.00 -0.00 0.00 0.00 57.72 57.66 3fg1 n HIS 757 Cb 0.05 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 29.68 3fg1 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg1 h LEU 758 N -0.10 -0.33 0.16 0.27 5.85 -1.31 -2.08 115.31 117.77 3fg1 h LEU 758 Ca 0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3fg1 h LEU 758 Cb 0.05 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3fg1 h LEU 758 CO 0.00 -0.05 -0.07 0.25 -0.34 0.00 0.00 178.44 178.22 3fg1 h LEU 759 N -0.61 -0.18 -0.19 2.25 5.85 -1.17 -0.79 115.31 120.47 3fg1 h LEU 759 Ca -0.04 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3fg1 h LEU 759 Cb 0.44 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3fg1 h LEU 759 CO 0.07 0.28 -0.16 0.54 -0.34 0.00 0.00 178.44 178.82 3fg1 n ARG 760 N -4.98 0.52 0.00 1.25 1.74 -0.27 -1.08 116.66 113.85 3fg1 n ARG 760 Ca -0.09 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3fg1 n ARG 760 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3fg1 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg1 n THR 761 N -1.07 0.00 0.00 0.55 -2.24 -0.78 -4.75 114.28 105.98 3fg1 n THR 761 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3fg1 n THR 761 Cb 0.30 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3fg1 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg1 n HIS 762 N -0.01 0.00 -0.14 4.78 8.25 -1.18 -1.46 115.22 125.46 3fg1 n HIS 762 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3fg1 n HIS 762 Cb 0.00 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 3fg1 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg1 h LEU 763 N 0.00 0.80 -0.31 2.41 3.38 -1.10 0.13 115.31 120.62 3fg1 h LEU 763 Ca 0.00 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 3fg1 h LEU 763 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3fg1 h LEU 763 CO 0.00 0.98 -0.24 0.71 0.09 0.00 0.00 178.44 179.98 3fg1 h THR 764 N 0.62 1.30 0.00 0.22 1.35 -1.13 -3.18 112.91 112.08 3fg1 h THR 764 Ca 0.11 -1.39 -0.05 0.00 -0.55 0.00 0.00 66.41 64.52 3fg1 h THR 764 Cb 0.63 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3fg1 h THR 764 CO 0.04 0.45 -0.25 0.71 -0.25 0.00 0.00 175.52 176.22 3fg1 h THR 765 N 0.48 0.58 -0.98 6.82 1.35 -1.09 -2.79 112.91 117.27 3fg1 h THR 765 Ca 0.06 -1.22 0.16 0.00 -0.55 0.00 0.00 66.41 64.86 3fg1 h THR 765 Cb 0.80 1.83 -0.09 0.00 -1.73 0.00 0.00 68.15 68.96 3fg1 h THR 765 CO 0.06 0.24 0.62 -0.08 -0.25 0.00 0.00 175.52 176.11 3fg1 h GLU 766 N 0.00 0.79 -0.79 4.72 4.81 -0.95 -1.22 114.58 121.94 3fg1 h GLU 766 Ca -0.00 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3fg1 h GLU 766 Cb 0.81 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3fg1 h GLU 766 CO 0.03 0.52 0.47 0.77 -0.73 0.00 0.00 179.01 180.08 3fg1 h SER 767 N 0.82 0.71 -0.17 1.04 0.02 -1.57 -0.26 113.55 114.13 3fg1 h SER 767 Ca 0.52 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.38 3fg1 h SER 767 Cb 0.74 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3fg1 h SER 767 CO -0.30 0.44 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.28 3fg1 h PHE 768 N 0.84 0.76 -0.39 3.45 -1.00 -1.39 -1.51 116.94 117.69 3fg1 h PHE 768 Ca 0.36 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3fg1 h PHE 768 Cb 0.23 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 3fg1 h PHE 768 CO -0.05 0.87 0.20 0.00 -1.61 0.00 0.00 178.31 177.72 3fg1 h ALA 769 N 1.11 0.50 -0.39 2.45 0.00 -0.45 -1.12 119.26 121.37 3fg1 h ALA 769 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fg1 h ALA 769 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3fg1 h ALA 769 CO 0.06 0.05 0.23 1.25 0.00 0.00 0.00 179.25 180.85 3fg1 h LEU 770 N 0.50 0.48 -1.43 0.00 5.85 -1.02 -2.52 115.31 117.17 3fg1 h LEU 770 Ca 0.14 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fg1 h LEU 770 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3fg1 h LEU 770 CO -0.02 0.40 0.11 -1.28 -0.34 0.00 0.00 178.44 177.31 3fg1 h SER 771 N 0.51 0.45 -0.15 1.25 0.87 -0.94 -0.24 113.55 115.29 3fg1 h SER 771 Ca 0.14 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3fg1 h SER 771 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3fg1 h SER 771 CO -0.03 0.44 0.08 0.74 -0.53 0.00 0.00 176.83 177.53 3fg1 h THR 772 N 0.49 1.10 -0.16 2.23 2.02 -0.81 -0.71 112.91 117.07 3fg1 h THR 772 Ca 0.12 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3fg1 h THR 772 Cb 0.15 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3fg1 h THR 772 CO -0.01 0.09 -0.30 -0.50 0.37 0.00 0.00 175.52 175.17 3fg1 h TRP 773 N 0.15 0.35 -0.11 3.16 4.06 -1.00 -2.42 115.95 120.14 3fg1 h TRP 773 Ca 0.05 -0.08 -0.16 0.00 2.06 0.00 0.00 58.89 60.77 3fg1 h TRP 773 Cb 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3fg1 h TRP 773 CO -0.04 0.58 -0.62 0.00 -3.56 0.00 0.00 178.44 174.80 3fg1 h ARG 774 N 0.27 0.39 0.00 0.49 3.08 -0.79 -3.41 114.38 114.41 3fg1 h ARG 774 Ca 0.04 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3fg1 h ARG 774 Cb 0.67 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3fg1 h ARG 774 CO 0.05 0.88 -0.91 0.09 -1.07 0.00 0.00 179.97 179.02 3fg1 n ASN 775 N -3.89 4.54 -4.52 7.04 3.02 -0.30 -4.39 115.26 116.76 3fg1 n ASN 775 Ca -0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 3fg1 n ASN 775 Cb 0.64 0.83 -0.12 0.00 -0.61 0.00 0.00 39.78 40.52 3fg1 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 776 N -2.90 3.62 0.71 3.41 1.43 -0.92 -4.69 118.68 119.34 3fg1 s LEU 776 Ca 0.00 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3fg1 s LEU 776 Cb 0.00 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3fg1 s LEU 776 CO 0.00 0.03 1.08 0.00 0.23 0.00 0.00 176.35 177.69 3fg1 s ALA 777 N 1.26 2.48 0.50 4.21 0.00 -1.26 -4.80 121.76 124.15 3fg1 s ALA 777 Ca 0.05 0.29 0.30 0.00 0.00 0.00 0.00 51.96 52.60 3fg1 s ALA 777 Cb -0.14 -3.25 1.68 0.00 0.00 0.00 0.00 23.12 21.40 3fg1 s ALA 777 CO 0.04 -1.40 2.17 0.66 0.00 0.00 0.00 175.76 177.24 3fg1 h SER 778 N -0.58 0.00 1.06 0.00 4.64 -1.97 0.01 113.55 116.70 3fg1 h SER 778 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fg1 h SER 778 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fg1 h SER 778 CO 0.54 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 3fg1 n ALA 779 N -2.28 2.21 -2.26 5.18 0.00 -1.26 -4.67 120.51 117.43 3fg1 n ALA 779 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3fg1 n ALA 779 Cb 0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3fg1 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s HIS 780 N -3.04 3.47 0.45 0.00 5.04 -0.01 -1.04 115.29 120.15 3fg1 s HIS 780 Ca 0.12 1.40 0.15 0.00 -1.54 0.00 0.00 55.06 55.19 3fg1 s HIS 780 Cb 0.16 -3.39 1.07 0.00 0.04 0.00 0.00 32.58 30.46 3fg1 s HIS 780 CO 0.51 -1.10 1.99 -1.00 -2.34 0.00 0.00 174.74 172.80 3fg1 h PRO 781 N 6.06 0.35 0.00 2.88 0.13 -1.89 -1.90 132.00 137.63 3fg1 h PRO 781 Ca -0.43 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 3fg1 h PRO 781 Cb 1.21 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3fg1 h PRO 781 CO 0.78 0.23 -0.91 0.82 -0.23 0.00 0.00 178.00 178.69 3fg1 h ILE 782 N 0.36 1.65 -0.36 -3.56 1.08 -1.93 -0.07 117.51 114.68 3fg1 h ILE 782 Ca 0.27 -3.12 0.02 0.00 -0.39 0.00 0.00 64.86 61.64 3fg1 h ILE 782 Cb 0.57 2.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.98 3fg1 h ILE 782 CO -0.07 0.89 0.19 0.15 -0.69 0.00 0.00 178.15 178.63 3fg1 h PHE 783 N 0.00 0.36 -0.47 1.37 3.57 -1.64 -0.70 116.94 119.44 3fg1 h PHE 783 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3fg1 h PHE 783 Cb 1.61 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 3fg1 h PHE 783 CO 0.00 0.20 0.21 0.87 -2.23 0.00 0.00 178.31 177.36 3fg1 h LYS 784 N 0.40 0.69 -0.19 1.11 1.57 -1.07 0.23 116.57 119.31 3fg1 h LYS 784 Ca 0.15 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3fg1 h LYS 784 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3fg1 h LYS 784 CO -0.08 0.60 -0.03 1.25 -0.57 0.00 0.00 179.45 180.62 3fg1 h LEU 785 N 0.62 -0.13 0.00 2.94 5.85 -0.91 -3.27 115.31 120.41 3fg1 h LEU 785 Ca 0.16 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3fg1 h LEU 785 Cb 0.15 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3fg1 h LEU 785 CO -0.02 -0.04 -0.89 -0.07 -0.34 0.00 0.00 178.44 177.09 3fg1 h LEU 786 N 0.03 0.00 -0.80 2.25 3.38 -0.85 -3.38 115.31 115.94 3fg1 h LEU 786 Ca 0.09 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3fg1 h LEU 786 Cb 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 3fg1 h LEU 786 CO -0.17 0.84 -0.11 -0.61 0.09 0.00 0.00 178.44 178.47 3fg1 h GLN 787 N 0.00 0.03 0.00 1.13 4.15 -1.00 0.90 115.11 120.31 3fg1 h GLN 787 Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3fg1 h GLN 787 Cb 1.66 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.34 3fg1 h GLN 787 CO 0.11 0.02 -0.10 -1.00 -1.93 0.00 0.00 178.83 175.92 3fg1 h PRO 788 N 0.03 0.00 0.00 -2.39 0.13 -1.78 -2.98 132.00 125.01 3fg1 h PRO 788 Ca 0.41 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.36 3fg1 h PRO 788 Cb 0.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 3fg1 h PRO 788 CO -0.78 0.10 -1.52 0.72 -0.23 0.00 0.00 178.00 176.29 3fg1 n HIS 789 N -3.30 0.89 0.71 1.56 8.25 0.10 -4.10 115.22 119.34 3fg1 n HIS 789 Ca -0.00 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 57.88 3fg1 n HIS 789 Cb 0.32 -1.07 0.24 0.00 1.12 0.00 0.00 29.99 30.60 3fg1 n HIS 789 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fg1 n ILE 790 N -2.87 0.25 -1.70 1.59 -5.35 -0.03 -4.28 119.36 106.98 3fg1 n ILE 790 Ca -0.12 -0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 61.75 3fg1 n ILE 790 Cb 0.87 -0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 3fg1 n ILE 790 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 n TYR 791 N -1.92 2.39 0.00 4.28 9.36 -1.13 -3.31 117.16 126.82 3fg1 n TYR 791 Ca 0.04 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.72 3fg1 n TYR 791 Cb 0.40 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 3fg1 n TYR 791 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 792 N 1.38 2.99 0.27 2.98 0.00 -1.26 -4.10 105.19 107.45 3fg1 n GLY 792 Ca 0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 3fg1 n GLY 792 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fg1 h VAL 793 N 0.00 1.27 -0.62 1.61 3.04 -1.33 0.43 116.25 120.65 3fg1 h VAL 793 Ca 0.00 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.14 3fg1 h VAL 793 Cb 0.00 1.36 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 3fg1 h VAL 793 CO 0.00 0.52 0.35 -0.07 -1.01 0.00 0.00 177.57 177.35 3fg1 h LEU 794 N 0.76 0.77 0.70 3.16 3.38 -1.85 -1.80 115.31 120.43 3fg1 h LEU 794 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3fg1 h LEU 794 Cb 0.96 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.52 3fg1 h LEU 794 CO 0.09 0.64 -0.33 0.00 0.09 0.00 0.00 178.44 178.93 3fg1 h ALA 795 N 1.17 -0.94 -0.82 1.53 0.00 -1.48 -1.54 119.26 117.19 3fg1 h ALA 795 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fg1 h ALA 795 Cb 0.03 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3fg1 h ALA 795 CO -0.04 -0.94 0.35 0.97 0.00 0.00 0.00 179.25 179.59 3fg1 h ILE 796 N -1.10 1.26 -0.48 0.00 6.09 -0.97 -1.41 117.51 120.91 3fg1 h ILE 796 Ca -0.10 -0.80 -0.10 0.00 -1.37 0.00 0.00 64.86 62.50 3fg1 h ILE 796 Cb 0.75 0.26 -0.02 0.00 0.47 0.00 0.00 36.82 38.28 3fg1 h ILE 796 CO 0.16 0.33 -0.10 0.44 -3.07 0.00 0.00 178.15 175.91 3fg1 h ASP 797 N 1.18 0.86 -0.30 2.19 5.19 -1.38 0.64 116.42 124.82 3fg1 h ASP 797 Ca 0.27 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3fg1 h ASP 797 Cb 0.19 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3fg1 h ASP 797 CO -0.03 0.98 0.09 0.74 -3.12 0.00 0.00 179.24 177.90 3fg1 h THR 798 N 0.79 1.21 -0.39 0.35 2.02 -0.98 0.25 112.91 116.15 3fg1 h THR 798 Ca 0.13 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3fg1 h THR 798 Cb 0.61 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3fg1 h THR 798 CO 0.04 0.22 0.24 0.40 0.37 0.00 0.00 175.52 176.79 3fg1 h ILE 799 N 0.32 1.06 -0.58 3.11 2.04 -1.07 -3.12 117.51 119.27 3fg1 h ILE 799 Ca 0.09 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3fg1 h ILE 799 Cb 0.26 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3fg1 h ILE 799 CO -0.00 0.09 0.29 1.23 0.00 0.00 0.00 178.15 179.75 3fg1 h GLY 800 N 0.48 0.86 1.79 5.37 0.00 0.51 0.24 103.07 112.33 3fg1 h GLY 800 Ca 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3fg1 h GLY 800 CO -0.06 0.38 0.00 3.21 0.00 0.00 0.00 176.54 180.07 3fg1 h ARG 801 N 0.81 0.27 -0.15 4.80 3.08 -0.88 -0.14 114.38 122.16 3fg1 h ARG 801 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3fg1 h ARG 801 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3fg1 h ARG 801 CO -0.03 0.29 0.00 1.63 -1.07 0.00 0.00 179.97 180.79 3fg1 n LYS 802 N -4.39 1.92 0.00 0.04 5.02 -0.44 -3.15 118.16 117.17 3fg1 n LYS 802 Ca -0.00 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 3fg1 n LYS 802 Cb 0.17 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3fg1 n LYS 802 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fg1 n GLU 803 N 1.13 0.00 0.00 1.97 1.02 0.71 -4.87 120.64 120.59 3fg1 n GLU 803 Ca 0.13 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3fg1 n GLU 803 Cb 0.50 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 3fg1 n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3fg1 n LEU 804 N 0.00 0.00 -0.01 -4.62 4.77 -0.15 -4.14 117.00 112.86 3fg1 n LEU 804 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3fg1 n LEU 804 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 3fg1 n LEU 804 CO 0.00 0.00 -0.72 2.30 -1.33 0.00 0.00 177.39 177.64 3fg1 n ILE 805 N -1.50 0.00 -1.87 -0.08 -5.35 -0.72 -1.79 119.36 108.05 3fg1 n ILE 805 Ca 0.00 -0.45 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 3fg1 n ILE 805 Cb 0.00 0.07 0.05 0.00 -1.74 0.00 0.00 39.64 38.02 3fg1 n ILE 805 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fg1 s GLY 806 N -4.29 2.82 0.09 3.28 0.00 -1.19 -4.89 107.32 103.15 3fg1 s GLY 806 Ca -0.07 1.14 -0.32 0.00 0.00 0.00 0.00 44.72 45.47 3fg1 s GLY 806 CO 0.84 1.57 0.75 -1.26 0.00 0.00 0.00 173.10 175.00 3fg1 n SER 807 N -1.62 -0.60 0.00 1.64 2.88 -1.26 -0.83 113.62 113.84 3fg1 n SER 807 Ca 0.14 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3fg1 n SER 807 Cb 0.48 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 3fg1 n SER 807 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fg1 n GLY 808 N 1.65 2.18 0.00 0.46 0.00 -1.26 -4.99 105.19 103.24 3fg1 n GLY 808 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3fg1 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 809 N -1.99 -2.39 0.35 -0.02 0.00 -0.01 -4.68 105.19 96.45 3fg1 n GLY 809 Ca 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 3fg1 n GLY 809 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fg1 h ILE 810 N -0.57 1.26 -0.24 -0.61 6.09 -1.67 -2.75 117.51 119.01 3fg1 h ILE 810 Ca 0.00 -0.65 -0.18 0.00 -1.37 0.00 0.00 64.86 62.66 3fg1 h ILE 810 Cb 0.00 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 37.38 3fg1 h ILE 810 CO 0.00 0.29 -0.57 0.58 -3.07 0.00 0.00 178.15 175.38 3fg1 h VAL 811 N 1.23 1.29 0.00 2.19 2.07 -1.69 -2.68 116.25 118.66 3fg1 h VAL 811 Ca 0.31 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3fg1 h VAL 811 Cb 0.05 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3fg1 h VAL 811 CO -0.05 0.57 -0.10 0.44 0.02 0.00 0.00 177.57 178.45 3fg1 h ASP 812 N 0.57 0.00 0.20 0.57 5.19 -1.73 -2.60 116.42 118.62 3fg1 h ASP 812 Ca 0.01 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 3fg1 h ASP 812 Cb 1.15 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 3fg1 h ASP 812 CO 0.12 0.10 -2.06 0.00 -3.12 0.00 0.00 179.24 174.28 3fg1 n GLN 813 N -3.55 0.66 0.00 3.56 6.02 -1.13 -4.59 117.38 118.36 3fg1 n GLN 813 Ca -0.02 0.07 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 3fg1 n GLN 813 Cb 0.24 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 3fg1 n GLN 813 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3fg1 n SER 814 N -2.78 0.60 -4.32 1.08 3.41 -1.02 -4.88 113.62 105.71 3fg1 n SER 814 Ca -0.23 -0.80 -0.31 0.00 -0.26 0.00 0.00 58.87 57.28 3fg1 n SER 814 Cb 1.03 0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 65.50 3fg1 n SER 814 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fg1 s LEU 815 N -1.63 2.09 0.25 1.04 2.96 -0.99 -4.27 118.68 118.14 3fg1 s LEU 815 Ca 0.03 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3fg1 s LEU 815 Cb 0.04 -1.32 0.49 0.00 0.50 0.00 0.00 46.19 45.90 3fg1 s LEU 815 CO 0.14 0.30 1.71 0.28 -1.32 0.00 0.00 176.35 177.46 3fg1 h SER 816 N 5.23 0.23 0.00 3.68 0.02 -1.43 -1.78 113.55 119.49 3fg1 h SER 816 Ca -0.44 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3fg1 h SER 816 Cb 1.13 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3fg1 h SER 816 CO 0.46 0.06 0.00 0.18 -1.14 0.00 0.00 176.83 176.39 3fg1 n LEU 817 N -5.04 0.00 -4.70 5.07 4.32 -1.26 -1.05 117.00 114.34 3fg1 n LEU 817 Ca 0.15 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.81 3fg1 n LEU 817 Cb 0.46 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.39 3fg1 n LEU 817 CO 0.16 0.00 0.76 -0.83 -1.22 0.00 0.00 177.39 176.26 3fg1 s GLY 818 N -1.78 2.09 0.00 -0.72 0.00 -0.67 -0.64 107.32 105.60 3fg1 s GLY 818 Ca 0.32 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3fg1 s GLY 818 CO 0.25 1.21 0.00 0.61 0.00 0.00 0.00 173.10 175.16 3fg1 n GLY 819 N 0.39 0.65 0.00 0.20 0.00 -1.26 -2.82 105.19 102.35 3fg1 n GLY 819 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3fg1 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 820 N -1.48 2.21 0.30 -0.02 0.00 -1.26 -4.95 105.19 99.99 3fg1 n GLY 820 Ca 0.00 -0.51 0.18 0.00 0.00 0.00 0.00 46.02 45.69 3fg1 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg1 h GLY 821 N 0.00 0.00 1.01 -0.02 0.00 -1.64 -2.67 103.07 99.76 3fg1 h GLY 821 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fg1 h GLY 821 CO 0.00 0.00 0.60 1.12 0.00 0.00 0.00 176.54 178.26 3fg1 h HIS 822 N 0.00 1.21 -0.03 5.60 2.07 -1.11 -0.65 115.15 122.24 3fg1 h HIS 822 Ca -0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 3fg1 h HIS 822 Cb 0.14 -0.40 -0.00 0.00 2.57 0.00 0.00 27.41 29.71 3fg1 h HIS 822 CO 0.00 0.78 -0.00 0.28 -3.07 0.00 0.00 177.93 175.92 3fg1 h VAL 823 N 1.29 1.26 -0.97 6.12 2.07 -1.78 -1.11 116.25 123.13 3fg1 h VAL 823 Ca 0.34 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3fg1 h VAL 823 Cb -0.11 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3fg1 h VAL 823 CO -0.07 0.21 0.62 0.74 0.02 0.00 0.00 177.57 179.09 3fg1 h THR 824 N -0.26 1.10 -0.22 2.57 2.02 -1.55 -0.44 112.91 116.13 3fg1 h THR 824 Ca 0.01 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3fg1 h THR 824 Cb 0.33 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3fg1 h THR 824 CO 0.00 0.21 0.09 0.15 0.37 0.00 0.00 175.52 176.34 3fg1 h PHE 825 N 1.16 0.34 -0.74 3.16 3.57 -1.00 0.11 116.94 123.54 3fg1 h PHE 825 Ca 0.41 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 3fg1 h PHE 825 Cb 0.12 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3fg1 h PHE 825 CO -0.01 0.38 0.39 0.52 -2.23 0.00 0.00 178.31 177.36 3fg1 h MET 826 N 0.21 1.03 -0.16 1.11 2.86 -0.65 -0.48 114.93 118.84 3fg1 h MET 826 Ca 0.07 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3fg1 h MET 826 Cb 0.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3fg1 h MET 826 CO -0.01 0.77 0.02 0.93 1.06 0.00 0.00 176.91 179.69 3fg1 h GLU 827 N 1.04 0.08 -0.38 1.72 5.08 -0.73 0.18 114.58 121.57 3fg1 h GLU 827 Ca 0.26 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3fg1 h GLU 827 Cb 0.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3fg1 h GLU 827 CO -0.04 0.05 0.11 -0.22 -1.00 0.00 0.00 179.01 177.91 3fg1 h LYS 828 N 0.08 0.24 -0.77 2.33 3.64 -0.41 -1.97 116.57 119.71 3fg1 h LYS 828 Ca 0.07 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3fg1 h LYS 828 Cb 0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3fg1 h LYS 828 CO -0.11 0.16 0.30 0.00 -2.27 0.00 0.00 179.45 177.53 3fg1 h PHE 830 N 1.13 0.82 -0.64 0.00 3.57 -0.13 -1.64 116.94 120.04 3fg1 h PHE 830 Ca 0.26 -0.08 0.19 0.00 3.53 0.00 0.00 57.97 61.87 3fg1 h PHE 830 Cb 0.23 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3fg1 h PHE 830 CO 0.02 0.70 0.56 0.87 -2.23 0.00 0.00 178.31 178.23 3fg1 h LYS 831 N 0.76 0.00 0.00 1.11 1.57 -1.26 -1.51 116.57 117.24 3fg1 h LYS 831 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3fg1 h LYS 831 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3fg1 h LYS 831 CO 0.00 0.00 -1.04 0.39 -0.57 0.00 0.00 179.45 178.23 3fg1 n GLU 832 N -3.94 0.32 -1.68 3.15 -0.58 -0.64 -1.11 120.64 116.17 3fg1 n GLU 832 Ca 0.13 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.42 3fg1 n GLU 832 Cb 0.80 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 30.03 3fg1 n GLU 832 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3fg1 n VAL 833 N -2.03 0.54 -4.64 2.62 0.31 -0.57 -4.97 118.33 109.60 3fg1 n VAL 833 Ca 0.02 -0.14 -0.22 0.00 -0.01 0.00 0.00 64.34 63.99 3fg1 n VAL 833 Cb 0.45 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.66 3fg1 n VAL 833 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3fg1 s ASN 834 N 0.59 1.69 0.53 4.52 2.47 -1.26 -4.26 114.94 119.22 3fg1 s ASN 834 Ca 0.72 -0.28 0.28 0.00 0.42 0.00 0.00 52.86 54.00 3fg1 s ASN 834 Cb -0.64 -0.18 1.43 0.00 -1.45 0.00 0.00 41.25 40.41 3fg1 s ASN 834 CO 0.44 0.16 1.95 0.25 -3.72 0.00 0.00 177.10 176.19 3fg1 h LEU 835 N 5.70 0.00 -2.25 3.21 5.85 -0.60 0.11 115.31 127.34 3fg1 h LEU 835 Ca -0.35 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3fg1 h LEU 835 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3fg1 h LEU 835 CO 0.48 0.00 -0.04 1.56 -0.34 0.00 0.00 178.44 180.11 3fg1 h GLN 836 N 0.00 0.00 0.00 1.25 1.08 -1.84 -1.82 115.11 113.78 3fg1 h GLN 836 Ca 0.32 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 3fg1 h GLN 836 Cb 1.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3fg1 h GLN 836 CO -0.00 0.04 -0.05 -0.44 -0.95 0.00 0.00 178.83 177.43 3fg1 h ASP 837 N 0.00 0.00 0.04 1.46 3.32 -1.17 -2.37 116.42 117.70 3fg1 h ASP 837 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg1 h ASP 837 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3fg1 h ASP 837 CO 0.00 0.05 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.30 3fg1 n TYR 838 N -3.53 0.00 -3.09 4.55 4.02 -0.68 -4.70 117.16 113.73 3fg1 n TYR 838 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.42 3fg1 n TYR 838 Cb 0.16 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 3fg1 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg1 s HIS 839 N -2.11 2.97 0.11 -0.72 2.46 -0.89 -4.62 115.29 112.49 3fg1 s HIS 839 Ca 0.35 -0.84 -0.23 0.00 0.47 0.00 0.00 55.06 54.81 3fg1 s HIS 839 Cb 0.21 -3.96 -0.09 0.00 -0.13 0.00 0.00 32.58 28.61 3fg1 s HIS 839 CO 0.38 -1.29 1.70 1.25 -2.47 0.00 0.00 174.74 174.31 3fg1 h LEU 840 N 10.08 -0.25 -0.47 8.88 5.85 -1.87 0.53 115.31 138.07 3fg1 h LEU 840 Ca -0.29 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3fg1 h LEU 840 Cb 1.09 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3fg1 h LEU 840 CO 1.09 -0.12 0.17 -0.65 -0.34 0.00 0.00 178.44 178.58 3fg1 h PRO 841 N -0.14 0.34 -0.63 5.25 0.11 -1.97 0.19 132.00 135.16 3fg1 h PRO 841 Ca 0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3fg1 h PRO 841 Cb 0.19 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3fg1 h PRO 841 CO -0.10 0.23 0.30 -0.91 -0.21 0.00 0.00 178.00 177.30 3fg1 h ASN 842 N 0.35 0.82 -0.37 -2.05 -0.26 -1.85 -1.28 115.58 110.94 3fg1 h ASN 842 Ca 0.22 -0.14 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 3fg1 h ASN 842 Cb 0.21 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3fg1 h ASN 842 CO -0.22 0.73 -0.16 0.00 -1.06 0.00 0.00 177.43 176.72 3fg1 h ALA 843 N 1.13 0.52 -0.70 -0.83 0.00 -0.56 0.13 119.26 118.96 3fg1 h ALA 843 Ca 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3fg1 h ALA 843 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fg1 h ALA 843 CO -0.03 0.44 0.30 -0.07 0.00 0.00 0.00 179.25 179.90 3fg1 h LEU 844 N 0.56 0.94 -0.30 0.00 3.38 -0.84 -1.25 115.31 117.79 3fg1 h LEU 844 Ca 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3fg1 h LEU 844 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3fg1 h LEU 844 CO 0.05 0.84 0.16 0.50 0.09 0.00 0.00 178.44 180.07 3fg1 h LYS 845 N 0.98 0.43 -0.96 1.13 3.64 -1.11 -2.00 116.57 118.68 3fg1 h LYS 845 Ca 0.23 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3fg1 h LYS 845 Cb 0.17 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3fg1 h LYS 845 CO -0.02 0.38 0.63 -0.22 -2.27 0.00 0.00 179.45 177.95 3fg1 h LYS 846 N 0.36 1.27 0.00 1.90 3.64 -0.74 -1.48 116.57 121.52 3fg1 h LYS 846 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fg1 h LYS 846 Cb 0.09 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3fg1 h LYS 846 CO -0.02 0.84 0.00 0.54 -2.27 0.00 0.00 179.45 178.55 3fg1 n ARG 847 N -4.38 0.08 -2.00 1.90 1.74 -0.49 -4.93 116.66 108.58 3fg1 n ARG 847 Ca 0.11 0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 3fg1 n ARG 847 Cb 0.02 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 29.84 3fg1 n ARG 847 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg1 n GLY 848 N 1.00 0.21 0.10 -0.13 0.00 -0.56 -0.43 105.19 105.37 3fg1 n GLY 848 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3fg1 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg1 n VAL 849 N -3.85 1.47 0.17 1.61 0.24 -0.91 -4.30 118.33 112.75 3fg1 n VAL 849 Ca -0.07 -1.62 0.11 0.00 -2.04 0.00 0.00 64.34 60.72 3fg1 n VAL 849 Cb 0.51 0.13 0.27 0.00 -1.47 0.00 0.00 33.84 33.27 3fg1 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg1 n ASP 850 N -0.89 3.41 -4.33 -1.34 5.75 -1.24 -4.80 116.55 113.10 3fg1 n ASP 850 Ca 0.09 -1.98 -0.45 0.00 -0.01 0.00 0.00 54.79 52.44 3fg1 n ASP 850 Cb 0.46 -0.33 -0.07 0.00 -1.03 0.00 0.00 41.12 40.16 3fg1 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg1 s ASP 851 N -1.27 6.11 0.57 -1.12 -1.08 -1.26 -4.94 116.67 113.67 3fg1 s ASP 851 Ca 0.41 -1.60 0.37 0.00 -0.52 0.00 0.00 52.55 51.21 3fg1 s ASP 851 Cb 0.23 -2.17 1.80 0.00 -1.46 0.00 0.00 42.92 41.31 3fg1 s ASP 851 CO 0.31 -0.75 2.11 -0.65 0.52 0.00 0.00 175.17 176.72 3fg1 h PRO 852 N 8.78 0.00 -0.02 4.34 0.11 -1.87 0.17 132.00 143.51 3fg1 h PRO 852 Ca -0.28 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 3fg1 h PRO 852 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3fg1 h PRO 852 CO 0.95 0.00 -0.61 0.66 -0.21 0.00 0.00 178.00 178.79 3fg1 h SER 853 N 0.00 0.07 0.08 -2.05 4.64 -2.00 -3.17 113.55 111.13 3fg1 h SER 853 Ca 0.00 -0.04 -0.37 0.00 -0.47 0.00 0.00 61.79 60.91 3fg1 h SER 853 Cb 0.24 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 3fg1 h SER 853 CO 0.00 0.67 -2.29 0.29 -0.87 0.00 0.00 176.83 174.62 3fg1 n LYS 854 N -3.83 0.68 -3.73 4.77 5.02 -0.58 -4.71 118.16 115.78 3fg1 n LYS 854 Ca -0.02 0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 3fg1 n LYS 854 Cb 0.61 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 3fg1 n LYS 854 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fg1 s LEU 855 N -6.08 2.94 0.64 -0.35 2.96 -0.06 -4.72 118.68 114.02 3fg1 s LEU 855 Ca -0.19 -2.82 -0.03 0.00 -0.22 0.00 0.00 54.13 50.87 3fg1 s LEU 855 Cb 0.07 -1.10 0.05 0.00 0.50 0.00 0.00 46.19 45.72 3fg1 s LEU 855 CO 0.74 -0.24 0.91 -2.16 -1.32 0.00 0.00 176.35 174.28 3fg1 s PRO 856 N 0.09 2.32 -0.96 0.98 0.04 -1.20 -4.26 135.00 132.01 3fg1 s PRO 856 Ca 0.19 -0.54 -0.05 0.00 0.04 0.00 0.00 61.00 60.65 3fg1 s PRO 856 Cb -0.20 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.02 3fg1 s PRO 856 CO -0.03 -1.02 0.63 0.41 0.04 0.00 0.00 177.00 177.03 3fg1 n GLY 857 N -2.66 -0.07 3.03 0.56 0.00 -1.26 -4.91 105.19 99.87 3fg1 n GLY 857 Ca 0.08 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3fg1 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg1 s PHE 858 N -3.11 3.35 -0.09 1.61 5.36 -1.26 -4.85 117.98 118.98 3fg1 s PHE 858 Ca 0.31 -2.91 0.15 0.00 -0.96 0.00 0.00 56.93 53.52 3fg1 s PHE 858 Cb -0.14 -3.03 -0.13 0.00 -0.34 0.00 0.00 43.02 39.39 3fg1 s PHE 858 CO 0.39 -0.81 0.92 1.88 -1.46 0.00 0.00 175.22 176.13 3fg1 h TYR 859 N 6.91 0.00 -0.44 10.12 -1.99 -1.94 -2.27 116.97 127.35 3fg1 h TYR 859 Ca -0.05 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.74 3fg1 h TYR 859 Cb 0.94 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.61 3fg1 h TYR 859 CO 0.60 0.68 0.14 -0.92 -0.00 0.00 0.00 178.16 178.66 3fg1 h TYR 860 N 0.00 0.24 0.40 4.88 3.20 -1.93 -0.35 116.97 123.41 3fg1 h TYR 860 Ca -0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 3fg1 h TYR 860 Cb 1.65 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.88 3fg1 h TYR 860 CO 0.00 0.07 -0.19 -0.09 -1.64 0.00 0.00 178.16 176.31 3fg1 h ARG 861 N 0.30 -0.52 0.01 1.82 2.43 -1.82 -0.31 114.38 116.30 3fg1 h ARG 861 Ca 0.21 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3fg1 h ARG 861 Cb 0.22 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3fg1 h ARG 861 CO -0.23 -0.32 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.46 3fg1 h ASP 862 N -0.57 -0.02 -0.28 -3.80 3.45 -1.22 0.21 116.42 114.19 3fg1 h ASP 862 Ca -0.05 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 3fg1 h ASP 862 Cb 0.43 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3fg1 h ASP 862 CO 0.09 0.12 -0.15 0.44 -1.57 0.00 0.00 179.24 178.18 3fg1 h ASP 863 N -0.15 0.61 -0.41 6.45 3.32 -1.15 -2.55 116.42 122.53 3fg1 h ASP 863 Ca -0.00 -0.41 0.03 0.00 0.02 0.00 0.00 57.03 56.67 3fg1 h ASP 863 Cb 0.15 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3fg1 h ASP 863 CO 0.00 0.89 0.20 1.23 -1.72 0.00 0.00 179.24 179.84 3fg1 h GLY 864 N 0.33 0.56 1.03 2.75 0.00 -0.97 -1.60 103.07 105.17 3fg1 h GLY 864 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3fg1 h GLY 864 CO 0.04 0.09 0.20 1.41 0.00 0.00 0.00 176.54 178.29 3fg1 h LEU 865 N 0.40 0.98 -0.37 3.11 3.38 -0.93 0.15 115.31 122.03 3fg1 h LEU 865 Ca 0.18 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fg1 h LEU 865 Cb 0.09 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3fg1 h LEU 865 CO -0.13 0.93 0.05 0.00 0.09 0.00 0.00 178.44 179.39 3fg1 h ALA 866 N 1.08 0.38 -0.43 1.53 0.00 -1.19 -2.12 119.26 118.52 3fg1 h ALA 866 Ca 0.21 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3fg1 h ALA 866 Cb 0.31 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fg1 h ALA 866 CO -0.01 -0.35 -0.21 -0.07 0.00 0.00 0.00 179.25 178.61 3fg1 h LEU 867 N 0.17 0.89 -0.33 0.00 3.38 -1.12 -2.24 115.31 116.06 3fg1 h LEU 867 Ca 0.18 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3fg1 h LEU 867 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3fg1 h LEU 867 CO -0.25 1.07 0.18 -0.25 0.09 0.00 0.00 178.44 179.28 3fg1 h TRP 868 N 0.76 0.33 -0.74 1.13 2.91 -0.48 -1.21 115.95 118.65 3fg1 h TRP 868 Ca 0.10 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 3fg1 h TRP 868 Cb 0.75 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.27 3fg1 h TRP 868 CO 0.04 0.19 0.27 1.49 -1.03 0.00 0.00 178.44 179.40 3fg1 h GLU 869 N 0.37 1.11 -0.35 2.65 4.81 -1.29 0.89 114.58 122.77 3fg1 h GLU 869 Ca 0.13 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3fg1 h GLU 869 Cb 0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3fg1 h GLU 869 CO -0.08 0.92 0.10 0.00 -0.73 0.00 0.00 179.01 179.23 3fg1 h ALA 870 N 1.21 0.46 -0.48 2.92 0.00 -1.01 -0.10 119.26 122.27 3fg1 h ALA 870 Ca 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3fg1 h ALA 870 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3fg1 h ALA 870 CO -0.02 0.10 -0.08 0.82 0.00 0.00 0.00 179.25 180.07 3fg1 h ILE 871 N 0.41 1.27 -0.44 0.00 2.04 -1.02 -2.05 117.51 117.72 3fg1 h ILE 871 Ca 0.11 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3fg1 h ILE 871 Cb 0.26 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3fg1 h ILE 871 CO -0.00 0.42 0.13 -0.08 0.00 0.00 0.00 178.15 178.61 3fg1 h GLU 872 N 0.75 0.69 -0.20 2.37 4.81 -0.58 -0.50 114.58 121.92 3fg1 h GLU 872 Ca 0.12 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fg1 h GLU 872 Cb 0.63 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3fg1 h GLU 872 CO 0.04 0.68 0.12 1.15 -0.73 0.00 0.00 179.01 180.27 3fg1 h THR 873 N 0.57 1.07 0.18 0.32 2.02 -0.97 -0.56 112.91 115.54 3fg1 h THR 873 Ca 0.14 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3fg1 h THR 873 Cb 0.28 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3fg1 h THR 873 CO -0.00 0.07 -0.14 0.15 0.37 0.00 0.00 175.52 175.96 3fg1 h PHE 874 N 0.25 -0.37 -0.66 3.16 3.57 -1.11 -1.58 116.94 120.20 3fg1 h PHE 874 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3fg1 h PHE 874 Cb 0.01 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3fg1 h PHE 874 CO -0.05 -0.22 0.28 0.82 -2.23 0.00 0.00 178.31 176.91 3fg1 h ILE 875 N -0.33 1.22 -0.75 1.41 2.04 -1.00 -0.79 117.51 119.31 3fg1 h ILE 875 Ca -0.01 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3fg1 h ILE 875 Cb 0.30 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3fg1 h ILE 875 CO -0.01 0.28 0.48 1.23 0.00 0.00 0.00 178.15 180.13 3fg1 h GLY 876 N 1.03 1.06 1.03 5.37 0.00 -0.86 -0.25 103.07 110.45 3fg1 h GLY 876 Ca 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3fg1 h GLY 876 CO -0.02 0.40 -0.11 0.83 0.00 0.00 0.00 176.54 177.63 3fg1 h GLU 877 N 1.02 0.87 -0.13 4.80 5.08 -0.62 -1.21 114.58 124.39 3fg1 h GLU 877 Ca 0.27 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fg1 h GLU 877 Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3fg1 h GLU 877 CO -0.06 0.97 0.07 0.82 -1.00 0.00 0.00 179.01 179.82 3fg1 h ILE 878 N 0.71 1.01 -0.78 3.13 1.08 -0.94 -2.85 117.51 118.88 3fg1 h ILE 878 Ca 0.11 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3fg1 h ILE 878 Cb 0.65 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.20 3fg1 h ILE 878 CO 0.04 0.03 0.48 0.40 -0.69 0.00 0.00 178.15 178.41 3fg1 h ILE 879 N 0.15 1.07 0.00 -0.67 2.04 -0.87 -2.22 117.51 117.02 3fg1 h ILE 879 Ca 0.05 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3fg1 h ILE 879 Cb -0.00 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3fg1 h ILE 879 CO -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 3fg1 h ALA 880 N 1.35 1.02 -0.15 1.87 0.00 -1.04 0.15 119.26 122.46 3fg1 h ALA 880 Ca 0.32 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3fg1 h ALA 880 Cb 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fg1 h ALA 880 CO -0.14 0.02 -0.77 0.82 0.00 0.00 0.00 179.25 179.18 3fg1 h ILE 881 N 0.00 1.28 0.00 0.00 2.04 -1.17 -3.39 117.51 116.27 3fg1 h ILE 881 Ca -0.00 -1.98 -0.14 0.00 1.00 0.00 0.00 64.86 63.74 3fg1 h ILE 881 Cb 0.35 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3fg1 h ILE 881 CO 0.00 0.63 -1.91 0.49 0.00 0.00 0.00 178.15 177.36 3fg1 n PHE 882 N -3.93 0.00 -3.99 1.37 3.01 -0.95 -4.84 117.46 108.14 3fg1 n PHE 882 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.05 3fg1 n PHE 882 Cb 0.74 -0.57 -0.14 0.00 -0.01 0.00 0.00 39.48 39.50 3fg1 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg1 s TYR 883 N -2.78 3.18 -0.79 1.38 1.51 0.49 -4.91 117.35 115.43 3fg1 s TYR 883 Ca -0.07 -1.92 0.26 0.00 -1.01 0.00 0.00 57.07 54.33 3fg1 s TYR 883 Cb 0.08 -2.02 0.63 0.00 -0.11 0.00 0.00 41.96 40.54 3fg1 s TYR 883 CO 0.67 -0.81 1.55 1.63 -1.11 0.00 0.00 175.55 177.47 3fg1 n LYS 884 N 4.57 0.18 -3.20 -0.62 4.76 -1.26 -4.29 118.16 118.30 3fg1 n LYS 884 Ca -0.15 0.09 -0.02 0.00 -2.87 0.00 0.00 58.31 55.36 3fg1 n LYS 884 Cb 0.44 -1.65 0.02 0.00 -1.84 0.00 0.00 35.03 32.00 3fg1 n LYS 884 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3fg1 n ASN 885 N -1.93 -1.26 0.08 4.39 0.23 -1.26 -5.05 115.26 110.47 3fg1 n ASN 885 Ca 0.05 -1.66 -0.03 0.00 -0.53 0.00 0.00 54.58 52.41 3fg1 n ASN 885 Cb 0.40 2.05 0.20 0.00 -2.08 0.00 0.00 39.78 40.36 3fg1 n ASN 885 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fg1 h ASP 886 N 1.43 0.28 -0.93 0.53 3.32 -1.93 -3.03 116.42 116.09 3fg1 h ASP 886 Ca -0.20 -0.12 0.09 0.00 0.02 0.00 0.00 57.03 56.82 3fg1 h ASP 886 Cb 0.87 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 3fg1 h ASP 886 CO 0.27 0.68 0.58 0.44 -1.72 0.00 0.00 179.24 179.49 3fg1 h ASP 887 N 0.22 0.89 -0.86 6.45 3.32 -1.97 -0.89 116.42 123.58 3fg1 h ASP 887 Ca 0.02 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3fg1 h ASP 887 Cb 0.85 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3fg1 h ASP 887 CO 0.07 0.53 0.57 0.44 -1.72 0.00 0.00 179.24 179.12 3fg1 h ASP 888 N 1.00 0.94 -0.09 6.45 3.32 -1.94 0.20 116.42 126.30 3fg1 h ASP 888 Ca 0.43 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 3fg1 h ASP 888 Cb 0.30 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3fg1 h ASP 888 CO -0.22 0.65 -0.08 0.58 -1.72 0.00 0.00 179.24 178.46 3fg1 h VAL 889 N 1.10 1.36 -0.54 -1.35 2.07 -1.34 -2.84 116.25 114.71 3fg1 h VAL 889 Ca 0.33 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3fg1 h VAL 889 Cb -0.02 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3fg1 h VAL 889 CO -0.09 0.35 0.36 0.11 0.02 0.00 0.00 177.57 178.31 3fg1 h LYS 890 N -0.21 0.60 0.00 1.57 1.57 -0.59 -2.23 116.57 117.28 3fg1 h LYS 890 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fg1 h LYS 890 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3fg1 h LYS 890 CO 0.02 0.40 -0.24 0.54 -0.57 0.00 0.00 179.45 179.60 3fg1 n ARG 891 N -4.47 0.15 -2.54 3.15 1.74 0.63 -4.68 116.66 110.64 3fg1 n ARG 891 Ca 0.06 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 3fg1 n ARG 891 Cb 0.14 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 3fg1 n ARG 891 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fg1 s ASP 892 N -3.75 6.27 0.52 0.55 -1.08 -0.84 -4.80 116.67 113.54 3fg1 s ASP 892 Ca 0.11 -0.81 0.27 0.00 -0.52 0.00 0.00 52.55 51.59 3fg1 s ASP 892 Cb 0.15 -2.56 1.43 0.00 -1.46 0.00 0.00 42.92 40.48 3fg1 s ASP 892 CO 0.63 -1.73 2.07 -0.55 0.52 0.00 0.00 175.17 176.10 3fg1 h ASN 893 N 10.01 0.00 -0.01 -0.34 7.08 -1.86 -2.31 115.58 128.15 3fg1 h ASN 893 Ca -0.10 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.04 3fg1 h ASN 893 Cb 1.04 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.28 3fg1 h ASN 893 CO 1.33 0.12 -0.31 -0.33 -2.08 0.00 0.00 177.43 176.17 3fg1 h GLU 894 N 0.00 0.23 -0.28 4.14 5.08 -1.88 -1.03 114.58 120.84 3fg1 h GLU 894 Ca -0.00 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3fg1 h GLU 894 Cb 0.33 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3fg1 h GLU 894 CO 0.02 0.93 -0.11 0.97 -1.00 0.00 0.00 179.01 179.82 3fg1 h ILE 895 N -0.38 1.22 -0.35 3.13 6.09 -1.82 0.18 117.51 125.59 3fg1 h ILE 895 Ca -0.03 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.47 3fg1 h ILE 895 Cb 1.03 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 3fg1 h ILE 895 CO 0.06 0.32 0.13 1.56 -3.07 0.00 0.00 178.15 177.15 3fg1 h GLN 896 N 0.44 0.52 -0.33 2.19 1.08 -1.44 -1.96 115.11 115.61 3fg1 h GLN 896 Ca 0.08 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3fg1 h GLN 896 Cb 0.46 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3fg1 h GLN 896 CO 0.03 0.52 -0.16 0.77 -0.95 0.00 0.00 178.83 179.04 3fg1 h SER 897 N 0.41 0.58 0.32 1.46 0.02 -0.67 -1.47 113.55 114.20 3fg1 h SER 897 Ca 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3fg1 h SER 897 Cb 0.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fg1 h SER 897 CO -0.01 0.76 -0.15 -0.25 -1.14 0.00 0.00 176.83 176.04 3fg1 h TRP 898 N 0.54 -0.40 -0.35 3.45 7.01 -0.48 -0.34 115.95 125.38 3fg1 h TRP 898 Ca 0.09 -0.01 -0.16 0.00 2.11 0.00 0.00 58.89 60.92 3fg1 h TRP 898 Cb 0.58 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 3fg1 h TRP 898 CO 0.02 -0.24 -0.42 0.97 -2.79 0.00 0.00 178.44 175.98 3fg1 h ILE 899 N -0.44 1.27 -0.89 2.65 6.09 -1.30 -3.06 117.51 121.85 3fg1 h ILE 899 Ca -0.04 -1.60 0.00 0.00 -1.37 0.00 0.00 64.86 61.85 3fg1 h ILE 899 Cb 0.34 1.45 -0.04 0.00 0.47 0.00 0.00 36.82 39.03 3fg1 h ILE 899 CO 0.07 0.53 0.56 0.22 -3.07 0.00 0.00 178.15 176.46 3fg1 h TYR 900 N 0.72 1.15 -0.46 2.19 3.20 -1.22 -1.06 116.97 121.49 3fg1 h TYR 900 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3fg1 h TYR 900 Cb 1.01 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3fg1 h TYR 900 CO 0.06 0.75 0.25 0.22 -1.64 0.00 0.00 178.16 177.80 3fg1 h ASP 901 N 1.21 0.57 -0.18 -2.11 3.58 -0.96 0.19 116.42 118.73 3fg1 h ASP 901 Ca 0.32 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 3fg1 h ASP 901 Cb -0.09 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3fg1 h ASP 901 CO -0.06 0.49 -0.06 0.58 -2.88 0.00 0.00 179.24 177.30 3fg1 h VAL 902 N 0.60 1.30 -0.59 2.25 2.07 -1.41 0.26 116.25 120.73 3fg1 h VAL 902 Ca 0.16 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.73 3fg1 h VAL 902 Cb 0.04 1.64 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 3fg1 h VAL 902 CO -0.03 0.32 -0.15 -0.74 0.02 0.00 0.00 177.57 176.99 3fg1 h HIS 903 N 0.05 -0.32 0.15 1.57 -0.00 -0.86 0.11 115.15 115.85 3fg1 h HIS 903 Ca 0.04 0.05 -0.36 0.00 -0.00 0.00 0.00 60.37 60.10 3fg1 h HIS 903 Cb 0.52 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 3fg1 h HIS 903 CO 0.06 -0.26 -1.92 -0.22 -0.00 0.00 0.00 177.93 175.60 3fg1 h LYS 904 N -0.00 0.31 0.00 5.26 1.63 -0.57 -3.41 116.57 119.78 3fg1 h LYS 904 Ca 0.28 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3fg1 h LYS 904 Cb 0.43 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3fg1 h LYS 904 CO -0.61 1.25 -0.34 0.09 -3.45 0.00 0.00 179.45 176.39 3fg1 n ASN 905 N -3.52 0.71 -0.02 4.20 5.03 0.86 -4.66 115.26 117.86 3fg1 n ASN 905 Ca -0.30 -0.52 -0.02 0.00 0.87 0.00 0.00 54.58 54.61 3fg1 n ASN 905 Cb 1.06 1.03 -0.01 0.00 -1.02 0.00 0.00 39.78 40.84 3fg1 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg1 n GLY 906 N 1.26 -0.54 3.13 7.41 0.00 0.22 -4.32 105.19 112.34 3fg1 n GLY 906 Ca 0.01 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3fg1 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg1 n TRP 907 N -2.90 4.34 -2.26 1.61 7.02 -0.17 -0.25 117.44 124.83 3fg1 n TRP 907 Ca -0.03 -4.03 -0.42 0.00 -1.02 0.00 0.00 57.50 52.00 3fg1 n TRP 907 Cb 0.10 -1.24 -0.03 0.00 -2.42 0.00 0.00 31.31 27.72 3fg1 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg1 s ARG 908 N -1.47 4.26 -1.05 -0.99 0.52 -1.26 -4.83 118.95 114.14 3fg1 s ARG 908 Ca 0.29 1.90 -0.22 0.00 -0.52 0.00 0.00 55.73 57.18 3fg1 s ARG 908 Cb -0.06 -3.68 0.03 0.00 0.52 0.00 0.00 34.95 31.75 3fg1 s ARG 908 CO -0.11 -0.63 1.63 0.08 0.02 0.00 0.00 175.30 176.29 3fg1 s VAL 909 N 2.87 3.83 0.66 3.52 1.01 -1.26 -4.96 120.40 126.08 3fg1 s VAL 909 Ca 0.62 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3fg1 s VAL 909 Cb -0.29 -4.84 0.10 0.00 0.00 0.00 0.00 36.38 31.36 3fg1 s VAL 909 CO 0.24 -1.70 0.91 0.20 0.00 0.00 0.00 175.10 174.76 3fg1 s ASN 910 N 5.57 4.64 0.16 3.32 0.01 -1.26 -4.94 114.94 122.44 3fg1 s ASN 910 Ca 0.53 -0.43 -0.34 0.00 -0.71 0.00 0.00 52.86 51.91 3fg1 s ASN 910 Cb -0.01 -0.06 -0.14 0.00 0.41 0.00 0.00 41.25 41.45 3fg1 s ASN 910 CO -0.04 -1.64 1.51 -2.65 -1.51 0.00 0.00 177.10 172.77 3fg1 n PRO 911 N -2.63 1.96 -0.51 -0.60 -0.02 -1.26 -1.42 135.00 130.52 3fg1 n PRO 911 Ca 0.14 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3fg1 n PRO 911 Cb 0.61 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3fg1 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg1 n GLY 912 N 3.11 0.75 3.88 -1.23 0.00 -1.26 -5.05 105.19 105.40 3fg1 n GLY 912 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3fg1 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 913 N -2.63 3.59 0.88 1.61 3.76 -0.51 -4.94 115.29 117.05 3fg1 s HIS 913 Ca 0.00 0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 55.32 3fg1 s HIS 913 Cb 0.00 -1.94 0.12 0.00 1.11 0.00 0.00 32.58 31.87 3fg1 s HIS 913 CO 0.00 0.70 1.10 -0.65 -0.85 0.00 0.00 174.74 175.04 3fg1 s GLN 914 N -1.32 1.38 0.36 1.40 -1.52 -0.27 -4.84 119.66 114.85 3fg1 s GLN 914 Ca 0.20 1.14 -0.28 0.00 -1.95 0.00 0.00 55.36 54.47 3fg1 s GLN 914 Cb -0.13 -1.80 -0.12 0.00 -0.22 0.00 0.00 33.01 30.75 3fg1 s GLN 914 CO 0.09 -2.25 1.40 -3.47 -0.25 0.00 0.00 175.29 170.81 3fg1 n ASP 915 N -3.93 3.34 -0.59 5.90 2.03 -1.26 -4.88 116.55 117.16 3fg1 n ASP 915 Ca 0.09 1.22 0.12 0.00 0.52 0.00 0.00 54.79 56.74 3fg1 n ASP 915 Cb 0.53 -1.56 0.40 0.00 -0.72 0.00 0.00 41.12 39.78 3fg1 n ASP 915 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3fg1 n HIS 916 N 0.40 0.14 -1.10 -0.67 8.25 -1.26 -4.63 115.22 116.35 3fg1 n HIS 916 Ca 0.03 -0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 3fg1 n HIS 916 Cb 0.38 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 3fg1 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg1 n GLY 917 N 1.19 0.54 3.59 -1.41 0.00 -1.26 0.05 105.19 107.89 3fg1 n GLY 917 Ca 0.17 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3fg1 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg1 s VAL 918 N -1.76 4.96 0.71 1.61 1.01 -1.26 -4.48 120.40 121.19 3fg1 s VAL 918 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 3fg1 s VAL 918 Cb 0.00 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3fg1 s VAL 918 CO 0.00 -0.13 1.21 -2.16 0.00 0.00 0.00 175.10 174.03 3fg1 s PRO 919 N 2.55 2.26 0.29 2.72 0.04 -1.26 -4.80 135.00 136.80 3fg1 s PRO 919 Ca 0.24 1.78 0.24 0.00 0.04 0.00 0.00 61.00 63.30 3fg1 s PRO 919 Cb -0.15 -1.85 0.44 0.00 0.04 0.00 0.00 34.50 32.98 3fg1 s PRO 919 CO 0.12 -1.75 1.54 0.00 0.04 0.00 0.00 177.00 176.95 3fg1 h ALA 920 N -0.12 0.86 -2.92 8.56 0.00 -1.96 -3.41 119.26 120.28 3fg1 h ALA 920 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3fg1 h ALA 920 Cb 1.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3fg1 h ALA 920 CO 0.51 0.00 0.09 -1.54 0.00 0.00 0.00 179.25 178.30 3fg1 s SER 921 N -5.26 -0.24 -0.12 0.00 1.04 -1.26 -3.96 113.70 103.91 3fg1 s SER 921 Ca 0.07 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 3fg1 s SER 921 Cb 0.09 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 3fg1 s SER 921 CO 0.67 -1.20 -0.06 -0.36 0.98 0.00 0.00 173.24 173.27 3fg1 s PHE 922 N -3.92 2.96 -0.22 5.02 0.40 -1.26 -5.00 117.98 115.96 3fg1 s PHE 922 Ca 0.13 -0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 3fg1 s PHE 922 Cb -0.03 -1.84 -0.13 0.00 0.51 0.00 0.00 43.02 41.53 3fg1 s PHE 922 CO 0.04 0.09 0.31 0.39 0.70 0.00 0.00 175.22 176.75 3fg1 n GLU 923 N 2.99 1.91 -3.79 0.44 4.71 -1.26 -4.29 120.64 121.35 3fg1 n GLU 923 Ca -0.18 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.16 56.83 3fg1 n GLU 923 Cb 0.53 -1.11 -0.06 0.00 -1.01 0.00 0.00 31.44 29.78 3fg1 n GLU 923 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3fg1 s SER 924 N -2.59 -0.05 0.20 1.62 1.04 -1.26 -4.75 113.70 107.91 3fg1 s SER 924 Ca -0.00 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 3fg1 s SER 924 Cb 0.07 0.42 0.12 0.00 0.10 0.00 0.00 66.02 66.74 3fg1 s SER 924 CO 0.41 -0.83 1.75 0.03 0.98 0.00 0.00 173.24 175.58 3fg1 h ARG 925 N 2.53 1.09 -0.64 4.02 3.08 -1.88 -2.23 114.38 120.34 3fg1 h ARG 925 Ca -0.33 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.44 3fg1 h ARG 925 Cb 1.23 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3fg1 h ARG 925 CO 0.50 0.91 0.15 1.05 -1.07 0.00 0.00 179.97 181.51 3fg1 h GLU 926 N 1.04 1.02 -0.55 0.04 9.09 -1.98 0.19 114.58 123.42 3fg1 h GLU 926 Ca 0.23 -0.24 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 3fg1 h GLU 926 Cb 0.25 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 3fg1 h GLU 926 CO -0.01 0.91 0.09 0.37 0.05 0.00 0.00 179.01 180.42 3fg1 h GLN 927 N 0.97 0.91 -0.50 1.06 4.15 -1.95 -0.76 115.11 118.99 3fg1 h GLN 927 Ca 0.20 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3fg1 h GLN 927 Cb 0.36 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3fg1 h GLN 927 CO 0.00 0.88 0.15 1.25 -1.93 0.00 0.00 178.83 179.18 3fg1 h LEU 928 N 0.80 0.73 -0.62 -2.39 5.85 -0.96 -2.18 115.31 116.54 3fg1 h LEU 928 Ca 0.17 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3fg1 h LEU 928 Cb 0.41 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3fg1 h LEU 928 CO 0.01 0.75 0.37 0.50 -0.34 0.00 0.00 178.44 179.72 3fg1 h LYS 929 N 0.68 0.69 -0.17 1.25 3.64 -0.46 -1.50 116.57 120.71 3fg1 h LYS 929 Ca 0.16 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3fg1 h LYS 929 Cb 0.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3fg1 h LYS 929 CO -0.00 0.46 0.10 1.49 -2.27 0.00 0.00 179.45 179.22 3fg1 h GLU 930 N 0.71 0.23 -0.64 1.90 4.81 -0.87 0.07 114.58 120.79 3fg1 h GLU 930 Ca 0.26 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3fg1 h GLU 930 Cb 0.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3fg1 h GLU 930 CO -0.12 0.21 0.23 0.28 -0.73 0.00 0.00 179.01 178.89 3fg1 h VAL 931 N 0.19 1.24 -0.32 0.32 2.07 -1.27 -1.29 116.25 117.18 3fg1 h VAL 931 Ca 0.06 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 3fg1 h VAL 931 Cb 0.04 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3fg1 h VAL 931 CO -0.01 0.31 -0.31 -0.07 0.02 0.00 0.00 177.57 177.51 3fg1 h LEU 932 N 0.91 0.83 0.09 2.57 3.38 -1.14 -1.12 115.31 120.84 3fg1 h LEU 932 Ca 0.21 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fg1 h LEU 932 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fg1 h LEU 932 CO -0.01 1.12 -0.10 0.74 0.09 0.00 0.00 178.44 180.28 3fg1 h THR 933 N 0.55 0.76 -0.59 0.22 2.02 -0.94 0.57 112.91 115.51 3fg1 h THR 933 Ca 0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.35 3fg1 h THR 933 Cb 0.88 0.76 -0.10 0.00 -1.74 0.00 0.00 68.15 67.95 3fg1 h THR 933 CO 0.08 0.00 -0.05 0.28 0.37 0.00 0.00 175.52 176.19 3fg1 h SER 934 N -0.22 -0.36 0.10 4.18 0.02 -1.12 0.12 113.55 116.28 3fg1 h SER 934 Ca 0.01 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fg1 h SER 934 Cb 0.22 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3fg1 h SER 934 CO -0.04 -0.14 -0.05 0.25 -1.14 0.00 0.00 176.83 175.71 3fg1 h LEU 935 N 0.07 -0.11 -0.65 5.07 5.85 -0.95 -1.51 115.31 123.07 3fg1 h LEU 935 Ca 0.30 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3fg1 h LEU 935 Cb 0.47 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3fg1 h LEU 935 CO -0.54 0.21 -0.02 0.58 -0.34 0.00 0.00 178.44 178.34 3fg1 h VAL 936 N -0.45 1.26 -0.71 1.05 2.07 -0.78 -1.01 116.25 117.69 3fg1 h VAL 936 Ca -0.01 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3fg1 h VAL 936 Cb 0.37 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3fg1 h VAL 936 CO 0.02 0.42 0.44 0.15 0.02 0.00 0.00 177.57 178.62 3fg1 h PHE 937 N 0.94 0.92 -0.04 1.57 3.57 -0.78 -2.47 116.94 120.65 3fg1 h PHE 937 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3fg1 h PHE 937 Cb 0.57 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3fg1 h PHE 937 CO 0.04 0.61 0.01 1.15 -2.23 0.00 0.00 178.31 177.89 3fg1 h THR 938 N 0.96 1.20 -0.87 4.41 2.02 -0.83 0.12 112.91 119.92 3fg1 h THR 938 Ca 0.26 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.91 3fg1 h THR 938 Cb -0.05 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3fg1 h THR 938 CO -0.05 0.17 0.57 -0.26 0.37 0.00 0.00 175.52 176.31 3fg1 h PHE 939 N -0.17 0.94 0.00 3.16 0.05 -1.08 -1.83 116.94 118.01 3fg1 h PHE 939 Ca 0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3fg1 h PHE 939 Cb 0.26 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 37.91 3fg1 h PHE 939 CO 0.01 0.44 0.00 -1.13 -0.18 0.00 0.00 178.31 177.45 3fg1 n SER 940 N -4.52 0.00 0.12 2.17 3.41 -0.94 -2.46 113.62 111.40 3fg1 n SER 940 Ca 0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 3fg1 n SER 940 Cb 0.29 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 3fg1 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg1 h GLN 942 N -0.41 0.09 -0.54 0.00 5.75 -1.21 -0.25 115.11 118.55 3fg1 h GLN 942 Ca -0.03 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3fg1 h GLN 942 Cb 0.31 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 3fg1 h GLN 942 CO 0.04 0.16 0.33 1.25 -2.65 0.00 0.00 178.83 177.96 3fg1 h HIS 943 N 0.00 0.61 -0.20 3.99 2.76 -1.32 -2.02 115.15 118.98 3fg1 h HIS 943 Ca 0.02 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 3fg1 h HIS 943 Cb 0.10 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3fg1 h HIS 943 CO -0.04 0.35 0.00 0.00 -1.30 0.00 0.00 177.93 176.94 3fg1 h ALA 944 N 1.23 0.17 -0.58 5.26 0.00 -0.86 0.14 119.26 124.63 3fg1 h ALA 944 Ca 0.21 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3fg1 h ALA 944 Cb 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3fg1 h ALA 944 CO -0.09 -0.43 0.38 0.00 0.00 0.00 0.00 179.25 179.11 3fg1 h ALA 945 N 1.16 1.72 -0.01 0.00 0.00 -0.60 -0.09 119.26 121.45 3fg1 h ALA 945 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fg1 h ALA 945 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fg1 h ALA 945 CO -0.15 0.21 -0.73 1.33 0.00 0.00 0.00 179.25 179.91 3fg1 n VAL 946 N -4.47 0.00 -0.06 0.00 0.24 -0.80 -4.25 118.33 108.99 3fg1 n VAL 946 Ca 0.07 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 3fg1 n VAL 946 Cb 0.15 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 3fg1 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg1 n ASN 947 N -0.81 1.67 0.00 -1.34 2.85 0.02 -4.68 115.26 112.96 3fg1 n ASN 947 Ca 0.07 0.27 0.11 0.00 -0.11 0.00 0.00 54.58 54.91 3fg1 n ASN 947 Cb 0.39 -0.63 0.48 0.00 1.24 0.00 0.00 39.78 41.27 3fg1 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg1 n PHE 948 N -4.15 0.00 0.94 1.20 3.01 -0.06 -1.84 117.46 116.55 3fg1 n PHE 948 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 3fg1 n PHE 948 Cb 0.45 -0.47 0.54 0.00 -0.01 0.00 0.00 39.48 39.99 3fg1 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg1 n SER 949 N -1.47 0.00 0.17 4.37 3.41 -1.25 -4.10 113.62 114.75 3fg1 n SER 949 Ca 0.06 0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.94 3fg1 n SER 949 Cb 0.24 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.07 3fg1 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg1 h GLN 950 N 0.00 0.00 -0.04 4.33 4.20 -1.64 -2.52 115.11 119.44 3fg1 h GLN 950 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fg1 h GLN 950 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3fg1 h GLN 950 CO 0.00 0.48 0.01 -0.22 -0.67 0.00 0.00 178.83 178.43 3fg1 h LYS 951 N 0.00 0.06 -0.37 1.46 3.11 -1.82 0.12 116.57 119.13 3fg1 h LYS 951 Ca -0.00 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 3fg1 h LYS 951 Cb 0.89 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 3fg1 h LYS 951 CO 0.06 0.22 -0.09 -0.44 -2.81 0.00 0.00 179.45 176.40 3fg1 h ASP 952 N -0.11 0.61 -0.00 4.20 3.45 -1.83 0.17 116.42 122.91 3fg1 h ASP 952 Ca 0.01 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3fg1 h ASP 952 Cb 0.19 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3fg1 h ASP 952 CO -0.00 0.74 -0.05 -0.74 -1.57 0.00 0.00 179.24 177.62 3fg1 h HIS 953 N 0.59 0.05 -0.00 4.55 2.76 -1.37 -3.36 115.15 118.37 3fg1 h HIS 953 Ca 0.11 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3fg1 h HIS 953 Cb 0.50 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3fg1 h HIS 953 CO 0.02 0.82 -0.76 0.66 -1.30 0.00 0.00 177.93 177.37 3fg1 n TYR 954 N -4.67 0.00 -0.36 5.26 4.02 0.41 -4.20 117.16 117.61 3fg1 n TYR 954 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3fg1 n TYR 954 Cb 0.41 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.88 3fg1 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3fg1 h GLY 955 N 3.78 1.44 -7.36 2.72 0.00 -1.03 -3.30 103.07 99.31 3fg1 h GLY 955 Ca 0.00 -0.49 -0.73 0.00 0.00 0.00 0.00 47.33 46.10 3fg1 h GLY 955 CO 0.00 0.43 -0.36 -0.12 0.00 0.00 0.00 176.54 176.49 3fg1 s PHE 956 N -6.06 3.25 0.21 5.60 5.36 -1.26 -4.56 117.98 120.51 3fg1 s PHE 956 Ca -0.13 -0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 54.91 3fg1 s PHE 956 Cb 0.19 -2.99 0.22 0.00 -0.34 0.00 0.00 43.02 40.09 3fg1 s PHE 956 CO 0.81 -0.74 1.83 1.15 -1.46 0.00 0.00 175.22 176.81 3fg1 h THR 957 N 5.73 1.03 -0.01 0.12 2.02 -1.86 -0.22 112.91 119.71 3fg1 h THR 957 Ca -0.28 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3fg1 h THR 957 Cb 1.11 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3fg1 h THR 957 CO 0.83 0.14 0.03 -0.65 0.37 0.00 0.00 175.52 176.24 3fg1 h PRO 958 N 0.76 0.00 0.00 6.66 0.11 -1.92 -0.24 132.00 137.38 3fg1 h PRO 958 Ca 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3fg1 h PRO 958 Cb 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3fg1 h PRO 958 CO -0.15 0.00 -0.03 -0.97 -0.21 0.00 0.00 178.00 176.64 3fg1 h ASN 959 N 0.00 0.00 -0.54 -2.05 -0.73 -1.33 -3.40 115.58 107.54 3fg1 h ASN 959 Ca 0.00 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 3fg1 h ASN 959 Cb 0.06 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.50 3fg1 h ASN 959 CO -0.00 0.03 -0.35 0.00 -0.37 0.00 0.00 177.43 176.74 3fg1 n ALA 960 N -2.50 -2.49 -1.77 1.57 0.00 -0.16 -5.01 120.51 110.15 3fg1 n ALA 960 Ca -0.03 -0.72 -0.36 0.00 0.00 0.00 0.00 53.44 52.33 3fg1 n ALA 960 Cb 0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 3fg1 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 961 N 0.81 3.63 0.00 0.00 0.04 -0.82 -4.87 135.00 133.79 3fg1 s PRO 961 Ca 0.28 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.06 3fg1 s PRO 961 Cb 0.09 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3fg1 s PRO 961 CO -0.10 -0.64 0.17 0.00 0.04 0.00 0.00 177.00 176.47 3fg1 n ALA 962 N -0.76 2.37 -2.55 8.56 0.00 -1.26 -3.28 120.51 123.58 3fg1 n ALA 962 Ca 0.09 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 3fg1 n ALA 962 Cb 0.49 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 3fg1 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg1 s ILE 963 N -1.13 1.22 0.06 0.00 1.01 -1.26 -1.10 121.20 120.00 3fg1 s ILE 963 Ca 0.01 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3fg1 s ILE 963 Cb 0.02 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3fg1 s ILE 963 CO 0.10 0.28 -0.17 -0.76 0.00 0.00 0.00 174.94 174.38 3fg1 s LEU 964 N -0.54 2.23 0.00 2.97 1.43 -1.24 -3.38 118.68 120.14 3fg1 s LEU 964 Ca 0.05 -0.57 0.15 0.00 -1.03 0.00 0.00 54.13 52.74 3fg1 s LEU 964 Cb -0.06 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.43 3fg1 s LEU 964 CO -0.00 0.04 0.85 0.54 0.23 0.00 0.00 176.35 178.01 3fg1 n ARG 965 N 1.54 1.67 -4.09 1.70 1.74 0.89 -0.73 116.66 119.37 3fg1 n ARG 965 Ca -0.19 -0.86 -0.10 0.00 -0.77 0.00 0.00 57.85 55.93 3fg1 n ARG 965 Cb 0.54 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 3fg1 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg1 s HIS 966 N -1.78 0.66 0.81 -1.55 3.76 -1.26 -4.81 115.29 111.12 3fg1 s HIS 966 Ca 0.13 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 54.15 3fg1 s HIS 966 Cb 0.12 -0.41 0.08 0.00 1.11 0.00 0.00 32.58 33.48 3fg1 s HIS 966 CO 0.37 -0.19 1.09 -1.25 -0.85 0.00 0.00 174.74 173.91 3fg1 s PRO 967 N -2.90 1.96 0.75 8.40 0.04 -1.26 -4.81 135.00 137.17 3fg1 s PRO 967 Ca 0.01 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 3fg1 s PRO 967 Cb -0.00 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.68 3fg1 s PRO 967 CO -0.04 -1.73 1.12 -1.25 0.04 0.00 0.00 177.00 175.14 3fg1 s PRO 968 N -5.10 2.29 0.66 0.56 0.04 -1.26 -5.00 135.00 127.20 3fg1 s PRO 968 Ca 0.61 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 3fg1 s PRO 968 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3fg1 s PRO 968 CO 0.55 -1.64 1.12 -1.25 0.04 0.00 0.00 177.00 175.82 3fg1 s PRO 969 N -4.50 2.73 0.00 0.56 0.04 -1.26 -4.95 135.00 127.62 3fg1 s PRO 969 Ca 0.65 1.44 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3fg1 s PRO 969 Cb -0.20 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.61 3fg1 s PRO 969 CO 0.50 -1.31 1.15 1.63 0.04 0.00 0.00 177.00 179.01 3fg1 n LYS 970 N -2.42 2.70 -3.87 4.56 5.02 -1.26 -4.77 118.16 118.12 3fg1 n LYS 970 Ca 0.11 -1.83 -0.07 0.00 -2.02 0.00 0.00 58.31 54.50 3fg1 n LYS 970 Cb 0.52 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 3fg1 n LYS 970 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3fg1 s LYS 971 N -0.97 1.80 0.48 1.97 -2.85 -1.26 -4.09 119.74 114.82 3fg1 s LYS 971 Ca 0.16 -1.05 -0.02 0.00 -1.00 0.00 0.00 55.97 54.05 3fg1 s LYS 971 Cb 0.08 0.60 -0.01 0.00 -2.06 0.00 0.00 37.83 36.44 3fg1 s LYS 971 CO 0.11 -0.82 0.74 0.15 0.10 0.00 0.00 175.35 175.63 3fg1 s LYS 972 N -3.80 3.15 0.00 1.78 1.02 -1.26 -4.49 119.74 116.14 3fg1 s LYS 972 Ca 0.13 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3fg1 s LYS 972 Cb -0.05 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3fg1 s LYS 972 CO 0.08 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 3fg1 n GLY 973 N -2.22 0.83 0.14 -3.33 0.00 -1.26 -4.95 105.19 94.39 3fg1 n GLY 973 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3fg1 n GLY 973 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg1 h GLU 974 N 3.45 0.44 -6.88 1.61 5.08 -1.99 -3.48 114.58 112.81 3fg1 h GLU 974 Ca 0.00 -0.70 -0.53 0.00 -1.00 0.00 0.00 59.36 57.13 3fg1 h GLU 974 Cb 0.00 0.25 0.08 0.00 0.50 0.00 0.00 28.75 29.58 3fg1 h GLU 974 CO 0.00 1.33 0.70 0.00 -1.00 0.00 0.00 179.01 180.03 3fg1 s ALA 975 N -2.72 3.54 0.20 3.43 0.00 -1.26 -4.98 121.76 119.97 3fg1 s ALA 975 Ca -0.07 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3fg1 s ALA 975 Cb 0.06 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3fg1 s ALA 975 CO 0.92 -0.78 0.01 0.95 0.00 0.00 0.00 175.76 176.86 3fg1 s THR 976 N -0.99 0.76 0.26 0.00 -4.23 -1.26 -4.67 115.64 105.51 3fg1 s THR 976 Ca 0.51 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3fg1 s THR 976 Cb -0.42 -2.25 0.24 0.00 1.34 0.00 0.00 72.50 71.41 3fg1 s THR 976 CO 0.55 -0.37 1.75 0.25 -0.54 0.00 0.00 174.62 176.26 3fg1 h LEU 977 N 2.59 0.47 -0.34 4.79 5.85 -1.96 -1.18 115.31 125.54 3fg1 h LEU 977 Ca -0.37 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3fg1 h LEU 977 Cb 1.22 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3fg1 h LEU 977 CO 0.63 0.19 0.08 -0.61 -0.34 0.00 0.00 178.44 178.39 3fg1 h GLN 978 N 0.58 0.55 -0.65 1.25 4.15 -1.96 -0.83 115.11 118.20 3fg1 h GLN 978 Ca 0.45 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 3fg1 h GLN 978 Cb 0.65 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3fg1 h GLN 978 CO -0.37 0.61 0.12 0.66 -1.93 0.00 0.00 178.83 177.92 3fg1 h SER 979 N 0.40 1.01 -0.02 -0.69 4.64 -1.87 -1.86 113.55 115.16 3fg1 h SER 979 Ca 0.11 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3fg1 h SER 979 Cb 0.31 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3fg1 h SER 979 CO 0.00 1.00 -0.02 0.40 -0.87 0.00 0.00 176.83 177.34 3fg1 h ILE 980 N 1.00 0.94 -0.20 0.95 2.04 -1.07 -2.40 117.51 118.78 3fg1 h ILE 980 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 3fg1 h ILE 980 Cb 0.41 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3fg1 h ILE 980 CO 0.01 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.15 3fg1 h LEU 981 N -0.03 0.25 -0.44 1.44 3.38 -0.94 0.51 115.31 119.48 3fg1 h LEU 981 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 981 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3fg1 h LEU 981 CO -0.03 0.25 0.00 0.77 0.09 0.00 0.00 178.44 179.51 3fg1 h SER 982 N 0.28 0.00 0.10 -0.43 4.64 -1.16 -3.29 113.55 113.68 3fg1 h SER 982 Ca 0.07 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.02 3fg1 h SER 982 Cb 0.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 3fg1 h SER 982 CO -0.00 0.00 -2.16 0.41 -0.87 0.00 0.00 176.83 174.20 3fg1 n THR 983 N -2.48 1.66 -0.73 2.95 -1.04 -0.36 -4.60 114.28 109.69 3fg1 n THR 983 Ca 0.03 -0.64 -0.32 0.00 -2.04 0.00 0.00 64.05 61.09 3fg1 n THR 983 Cb 0.36 -1.56 0.15 0.00 -1.82 0.00 0.00 70.33 67.46 3fg1 n THR 983 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3fg1 n LEU 984 N -3.36 1.49 -4.60 -4.42 4.77 0.03 -0.08 117.00 110.83 3fg1 n LEU 984 Ca -0.36 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3fg1 n LEU 984 Cb 1.03 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3fg1 n LEU 984 CO 0.37 -2.90 0.56 -2.65 -1.33 0.00 0.00 177.39 171.44 3fg1 n PRO 985 N -3.00 1.33 -0.74 3.23 -0.02 -1.22 -4.63 135.00 129.96 3fg1 n PRO 985 Ca 0.09 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 3fg1 n PRO 985 Cb 0.53 -1.97 0.20 0.00 -0.02 0.00 0.00 33.50 32.23 3fg1 n PRO 985 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fg1 s SER 986 N -0.69 2.18 0.31 2.55 1.04 -1.26 -4.67 113.70 113.16 3fg1 s SER 986 Ca 0.62 1.75 0.04 0.00 0.48 0.00 0.00 55.95 58.84 3fg1 s SER 986 Cb -0.59 -2.37 0.65 0.00 0.10 0.00 0.00 66.02 63.81 3fg1 s SER 986 CO 0.58 -3.49 1.85 0.07 0.98 0.00 0.00 173.24 173.22 3fg1 h LYS 987 N -2.14 0.86 -0.11 4.02 2.10 -1.98 -0.70 116.57 118.63 3fg1 h LYS 987 Ca -0.52 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 57.88 3fg1 h LYS 987 Cb 1.30 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3fg1 h LYS 987 CO 0.48 0.57 -0.73 0.66 -2.00 0.00 0.00 179.45 178.43 3fg1 h SER 988 N 0.88 0.62 -0.26 7.07 4.64 -1.98 0.04 113.55 124.56 3fg1 h SER 988 Ca 0.48 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3fg1 h SER 988 Cb 0.57 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3fg1 h SER 988 CO -0.25 1.16 0.14 1.56 -0.87 0.00 0.00 176.83 178.58 3fg1 h GLN 989 N 0.36 0.36 -0.41 4.77 4.20 -1.76 -0.87 115.11 121.77 3fg1 h GLN 989 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3fg1 h GLN 989 Cb 1.32 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 3fg1 h GLN 989 CO 0.13 0.32 0.22 0.00 -0.67 0.00 0.00 178.83 178.83 3fg1 h ALA 990 N 1.02 0.52 -0.95 3.87 0.00 -1.12 -1.33 119.26 121.27 3fg1 h ALA 990 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fg1 h ALA 990 Cb 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3fg1 h ALA 990 CO -0.02 0.05 0.62 0.00 0.00 0.00 0.00 179.25 179.91 3fg1 h ALA 991 N 1.07 1.41 -0.05 0.00 0.00 -0.83 -1.18 119.26 119.68 3fg1 h ALA 991 Ca 0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3fg1 h ALA 991 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3fg1 h ALA 991 CO -0.02 0.48 -0.70 0.87 0.00 0.00 0.00 179.25 179.89 3fg1 h LYS 992 N 1.17 0.23 -0.51 0.00 1.57 -0.88 -1.42 116.57 116.73 3fg1 h LYS 992 Ca 0.39 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3fg1 h LYS 992 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3fg1 h LYS 992 CO -0.13 0.84 0.30 0.00 -0.57 0.00 0.00 179.45 179.88 3fg1 h ALA 993 N 1.11 0.66 -0.67 3.86 0.00 -0.66 -0.87 119.26 122.69 3fg1 h ALA 993 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3fg1 h ALA 993 Cb 1.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3fg1 h ALA 993 CO 0.11 0.16 0.11 0.82 0.00 0.00 0.00 179.25 180.45 3fg1 h ILE 994 N 0.69 1.26 -0.43 0.00 2.04 -0.96 -1.44 117.51 118.66 3fg1 h ILE 994 Ca 0.18 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3fg1 h ILE 994 Cb 0.02 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fg1 h ILE 994 CO -0.03 0.39 0.23 0.00 0.00 0.00 0.00 178.15 178.74 3fg1 h ALA 995 N 1.05 0.55 -0.17 1.87 0.00 -1.07 0.68 119.26 122.17 3fg1 h ALA 995 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3fg1 h ALA 995 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3fg1 h ALA 995 CO 0.01 0.09 -0.01 1.15 0.00 0.00 0.00 179.25 180.49 3fg1 h THR 996 N 0.56 0.87 -0.69 0.00 2.02 -0.93 -1.94 112.91 112.80 3fg1 h THR 996 Ca 0.15 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.34 3fg1 h THR 996 Cb 0.07 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3fg1 h THR 996 CO -0.02 0.01 0.44 0.58 0.37 0.00 0.00 175.52 176.90 3fg1 h VAL 997 N 0.04 1.13 -0.37 3.16 2.07 -0.92 -0.75 116.25 120.60 3fg1 h VAL 997 Ca 0.08 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3fg1 h VAL 997 Cb 0.10 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 29.96 3fg1 h VAL 997 CO -0.15 0.16 -0.18 0.22 0.02 0.00 0.00 177.57 177.64 3fg1 h TYR 998 N 0.88 -0.46 -0.44 1.57 3.20 -0.55 -1.92 116.97 119.25 3fg1 h TYR 998 Ca 0.27 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 3fg1 h TYR 998 Cb -0.03 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3fg1 h TYR 998 CO -0.04 -0.26 0.14 0.82 -1.64 0.00 0.00 178.16 177.18 3fg1 h ILE 999 N -0.12 1.22 0.00 1.81 2.04 -0.94 -3.09 117.51 118.43 3fg1 h ILE 999 Ca 0.19 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3fg1 h ILE 999 Cb 0.40 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3fg1 h ILE 999 CO -0.45 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 177.90 3fg1 h LEU 1000N 0.58 0.00 -2.17 1.44 3.38 -0.93 -3.16 115.31 114.44 3fg1 h LEU 1000Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fg1 h LEU 1000Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fg1 h LEU 1000CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 3fg1 n THR 1001N -2.42 0.48 -2.67 0.22 -2.24 -0.74 -4.86 114.28 102.05 3fg1 n THR 1001Ca 0.04 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.65 3fg1 n THR 1001Cb 0.38 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3fg1 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg1 s LYS 1002N -1.06 3.82 0.24 -0.78 2.47 -1.17 -4.99 119.74 118.27 3fg1 s LYS 1002Ca 0.22 0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 54.99 3fg1 s LYS 1002Cb 0.13 -3.84 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 3fg1 s LYS 1002CO 0.18 -1.15 1.12 -0.06 0.16 0.00 0.00 175.35 175.59 3fg1 s PHE 1003N 3.98 3.55 0.52 4.03 0.40 -1.26 -4.99 117.98 124.21 3fg1 s PHE 1003Ca 0.44 1.63 -0.19 0.00 -0.60 0.00 0.00 56.93 58.21 3fg1 s PHE 1003Cb -0.10 -3.31 -0.07 0.00 0.51 0.00 0.00 43.02 40.05 3fg1 s PHE 1003CO 0.24 -0.69 1.08 0.45 0.70 0.00 0.00 175.22 177.00 3fg1 s SER 1004N -0.55 6.00 0.55 1.36 0.15 -1.26 -4.94 113.70 115.01 3fg1 s SER 1004Ca 0.47 2.02 0.23 0.00 0.70 0.00 0.00 55.95 59.37 3fg1 s SER 1004Cb -0.32 -2.57 1.45 0.00 -1.71 0.00 0.00 66.02 62.88 3fg1 s SER 1004CO 0.39 -1.02 2.10 1.05 1.20 0.00 0.00 173.24 176.97 3fg1 h GLU 1005N 1.26 0.00 -0.63 5.44 9.09 -1.96 -1.78 114.58 126.01 3fg1 h GLU 1005Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3fg1 h GLU 1005Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3fg1 h GLU 1005CO 0.58 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.24 3fg1 n ASP 1006N -4.25 5.09 -4.76 3.06 5.75 -1.26 -5.00 116.55 115.17 3fg1 n ASP 1006Ca 0.02 -2.74 -0.39 0.00 -0.01 0.00 0.00 54.79 51.66 3fg1 n ASP 1006Cb 0.29 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.76 3fg1 n ASP 1006CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3fg1 s GLU 1007N -2.42 3.61 -0.12 0.11 2.56 -0.67 -5.00 118.70 116.77 3fg1 s GLU 1007Ca 0.49 2.31 0.01 0.00 0.00 0.00 0.00 54.97 57.78 3fg1 s GLU 1007Cb 0.36 -2.58 -0.01 0.00 2.00 0.00 0.00 34.13 33.90 3fg1 s GLU 1007CO 0.16 -0.84 -0.15 1.03 -0.56 0.00 0.00 175.26 174.90 3fg1 s ARG 1008N -2.53 3.27 0.43 4.30 0.52 -1.26 -5.04 118.95 118.64 3fg1 s ARG 1008Ca 0.63 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 55.20 3fg1 s ARG 1008Cb -0.42 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.51 3fg1 s ARG 1008CO 0.52 0.24 0.58 0.71 0.02 0.00 0.00 175.30 177.37 3fg1 s TYR 1009N 0.28 2.76 0.02 -0.53 1.51 -1.26 -1.16 117.35 118.97 3fg1 s TYR 1009Ca -0.11 -0.41 -0.34 0.00 -1.01 0.00 0.00 57.07 55.21 3fg1 s TYR 1009Cb -0.16 -2.38 -0.12 0.00 -0.11 0.00 0.00 41.96 39.19 3fg1 s TYR 1009CO 0.06 -0.45 1.78 -0.11 -1.11 0.00 0.00 175.55 175.72 3fg1 n LEU 1010N -1.87 3.40 0.00 -1.29 7.94 0.12 -1.08 117.00 124.22 3fg1 n LEU 1010Ca 0.08 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3fg1 n LEU 1010Cb 0.59 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3fg1 n LEU 1010CO 0.39 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 3fg1 n GLY 1011N 4.05 1.10 3.55 -3.96 0.00 -1.26 -4.89 105.19 103.78 3fg1 n GLY 1011Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3fg1 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg1 s ASN 1012N -3.01 5.91 -0.35 1.61 3.84 -0.24 -4.81 114.94 117.88 3fg1 s ASN 1012Ca 0.00 -0.31 0.07 0.00 0.21 0.00 0.00 52.86 52.83 3fg1 s ASN 1012Cb 0.00 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.72 3fg1 s ASN 1012CO 0.00 -1.99 1.64 -1.22 -2.79 0.00 0.00 177.10 172.74 3fg1 n TYR 1013N 10.42 1.85 0.31 0.43 4.01 -1.26 -4.66 117.16 128.25 3fg1 n TYR 1013Ca 0.11 -1.69 0.20 0.00 -0.16 0.00 0.00 57.90 56.36 3fg1 n TYR 1013Cb 0.50 -0.67 0.95 0.00 -0.31 0.00 0.00 39.34 39.82 3fg1 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg1 h SER 1014N 1.03 0.00 -0.63 7.72 4.64 -1.99 -2.43 113.55 121.89 3fg1 h SER 1014Ca 0.38 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.27 3fg1 h SER 1014Cb 2.12 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.94 3fg1 h SER 1014CO 0.66 0.01 -0.24 0.00 -0.87 0.00 0.00 176.83 176.39 3fg1 n ALA 1015N -2.10 4.98 -2.45 5.18 0.00 -1.26 -5.02 120.51 119.83 3fg1 n ALA 1015Ca -0.01 -3.50 -0.21 0.00 0.00 0.00 0.00 53.44 49.71 3fg1 n ALA 1015Cb 0.19 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 3fg1 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg1 s THR 1016N -4.13 3.29 -0.23 0.00 -4.23 -0.92 -4.96 115.64 104.46 3fg1 s THR 1016Ca 0.51 -1.42 0.14 0.00 -1.18 0.00 0.00 61.69 59.75 3fg1 s THR 1016Cb 0.43 -3.12 0.78 0.00 1.34 0.00 0.00 72.50 71.93 3fg1 s THR 1016CO 0.01 -0.14 1.71 0.00 -0.54 0.00 0.00 174.62 175.66 3fg1 n ALA 1017N -1.37 3.80 -1.96 3.99 0.00 -1.26 -4.99 120.51 118.72 3fg1 n ALA 1017Ca -0.01 -2.00 -0.41 0.00 0.00 0.00 0.00 53.44 51.02 3fg1 n ALA 1017Cb 0.60 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3fg1 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s TRP 1018N -2.80 3.34 0.00 0.00 0.52 -1.26 -4.83 118.94 113.91 3fg1 s TRP 1018Ca 0.53 1.39 0.00 0.00 0.02 0.00 0.00 56.10 58.04 3fg1 s TRP 1018Cb 0.41 -3.50 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 3fg1 s TRP 1018CO 0.15 -1.44 0.00 0.39 0.02 0.00 0.00 176.95 176.07 3fg1 n GLU 1019N 2.14 2.81 -1.74 4.98 -0.58 -1.26 -5.00 120.64 122.00 3fg1 n GLU 1019Ca 0.04 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 3fg1 n GLU 1019Cb 0.44 -0.85 -0.03 0.00 -0.57 0.00 0.00 31.44 30.42 3fg1 n GLU 1019CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3fg1 s ASP 1020N -2.40 6.44 0.36 1.62 1.01 -1.26 -4.88 116.67 117.56 3fg1 s ASP 1020Ca 0.00 2.74 0.04 0.00 0.71 0.00 0.00 52.55 56.04 3fg1 s ASP 1020Cb 0.00 -2.57 0.67 0.00 1.01 0.00 0.00 42.92 42.03 3fg1 s ASP 1020CO 0.00 -0.99 1.97 0.11 0.21 0.00 0.00 175.17 176.48 3fg1 h LYS 1021N 8.40 0.68 -0.39 8.23 1.57 -1.99 -1.09 116.57 131.98 3fg1 h LYS 1021Ca -0.45 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.17 3fg1 h LYS 1021Cb 1.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3fg1 h LYS 1021CO 0.95 0.52 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.78 3fg1 h ASP 1022N 0.69 0.68 -0.41 0.86 3.45 -2.00 -1.31 116.42 118.38 3fg1 h ASP 1022Ca 0.17 -0.20 -0.15 0.00 0.43 0.00 0.00 57.03 57.28 3fg1 h ASP 1022Cb 0.05 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 3fg1 h ASP 1022CO -0.03 0.83 -0.34 0.00 -1.57 0.00 0.00 179.24 178.14 3fg1 h ALA 1023N 1.23 0.60 -1.01 3.45 0.00 -1.70 -1.89 119.26 119.94 3fg1 h ALA 1023Ca 0.11 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3fg1 h ALA 1023Cb 0.58 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3fg1 h ALA 1023CO 0.04 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.55 3fg1 h LEU 1024N 0.79 1.10 -0.64 0.00 3.38 -0.98 0.29 115.31 119.25 3fg1 h LEU 1024Ca 0.08 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3fg1 h LEU 1024Cb 0.93 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3fg1 h LEU 1024CO 0.09 0.75 0.08 0.44 0.09 0.00 0.00 178.44 179.89 3fg1 h ASP 1025N 1.28 1.04 -0.46 -0.43 3.32 -1.08 -1.69 116.42 118.40 3fg1 h ASP 1025Ca 0.40 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 3fg1 h ASP 1025Cb -0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3fg1 h ASP 1025CO -0.12 1.05 -0.11 0.00 -1.72 0.00 0.00 179.24 178.34 3fg1 h ALA 1026N 1.03 0.85 -0.34 3.45 0.00 -0.93 -1.79 119.26 121.52 3fg1 h ALA 1026Ca 0.19 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fg1 h ALA 1026Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fg1 h ALA 1026CO 0.02 0.65 0.21 0.82 0.00 0.00 0.00 179.25 180.95 3fg1 h ILE 1027N 0.84 1.05 -0.67 0.00 2.04 -0.79 -2.09 117.51 117.89 3fg1 h ILE 1027Ca 0.13 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3fg1 h ILE 1027Cb 0.65 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3fg1 h ILE 1027CO 0.05 0.08 0.32 0.78 0.00 0.00 0.00 178.15 179.38 3fg1 h ASN 1028N 0.43 0.42 -0.57 1.72 2.35 -0.72 -0.37 115.58 118.84 3fg1 h ASN 1028Ca 0.13 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3fg1 h ASN 1028Cb -0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3fg1 h ASN 1028CO -0.05 0.25 0.02 0.03 -1.65 0.00 0.00 177.43 176.02 3fg1 h ARG 1029N 0.56 1.02 -0.03 0.81 3.08 -1.14 -1.63 114.38 117.07 3fg1 h ARG 1029Ca 0.33 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fg1 h ARG 1029Cb 0.34 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3fg1 h ARG 1029CO -0.26 0.99 -0.00 0.35 -1.07 0.00 0.00 179.97 179.98 3fg1 h PHE 1030N 0.94 0.05 -0.78 3.04 3.57 -0.80 -1.00 116.94 121.96 3fg1 h PHE 1030Ca 0.17 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.76 3fg1 h PHE 1030Cb 0.52 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3fg1 h PHE 1030CO 0.04 0.36 0.42 1.96 -2.23 0.00 0.00 178.31 178.85 3fg1 h GLN 1031N -0.27 0.68 -0.58 1.11 4.20 -1.04 -0.38 115.11 118.84 3fg1 h GLN 1031Ca 0.01 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3fg1 h GLN 1031Cb 0.34 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3fg1 h GLN 1031CO 0.00 0.45 0.06 -0.44 -0.67 0.00 0.00 178.83 178.23 3fg1 h ASP 1032N 0.70 0.91 -0.56 1.46 3.32 -1.13 -1.11 116.42 120.01 3fg1 h ASP 1032Ca 0.38 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3fg1 h ASP 1032Cb 0.38 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3fg1 h ASP 1032CO -0.26 0.94 -0.04 0.50 -1.72 0.00 0.00 179.24 178.66 3fg1 h LYS 1033N 0.89 1.02 -0.35 3.56 1.63 -0.74 -1.99 116.57 120.59 3fg1 h LYS 1033Ca 0.18 -0.34 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 3fg1 h LYS 1033Cb 0.44 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3fg1 h LYS 1033CO 0.02 1.03 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.85 3fg1 h LEU 1034N 0.90 0.60 -0.74 5.20 3.38 -0.88 -0.51 115.31 123.26 3fg1 h LEU 1034Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fg1 h LEU 1034Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3fg1 h LEU 1034CO 0.04 0.76 0.39 -0.08 0.09 0.00 0.00 178.44 179.64 3fg1 h GLU 1035N 0.56 1.04 -0.41 1.13 4.81 -0.93 0.11 114.58 120.90 3fg1 h GLU 1035Ca 0.10 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fg1 h GLU 1035Cb 0.54 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3fg1 h GLU 1035CO 0.03 0.78 0.25 -0.44 -0.73 0.00 0.00 179.01 178.90 3fg1 h ASP 1036N 1.02 0.41 -0.39 1.04 3.32 -0.86 -1.66 116.42 119.30 3fg1 h ASP 1036Ca 0.26 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3fg1 h ASP 1036Cb 0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3fg1 h ASP 1036CO -0.04 0.29 0.21 0.40 -1.72 0.00 0.00 179.24 178.39 3fg1 h ILE 1037N 0.50 1.15 -0.28 0.35 2.04 -0.72 -1.72 117.51 118.83 3fg1 h ILE 1037Ca 0.16 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3fg1 h ILE 1037Cb -0.01 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3fg1 h ILE 1037CO -0.07 0.15 -0.21 0.28 0.00 0.00 0.00 178.15 178.31 3fg1 h SER 1038N 0.49 -0.67 -0.69 1.72 0.02 -0.74 -0.42 113.55 113.27 3fg1 h SER 1038Ca 0.14 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3fg1 h SER 1038Cb 0.06 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3fg1 h SER 1038CO -0.02 -0.24 0.30 0.11 -1.14 0.00 0.00 176.83 175.84 3fg1 h LYS 1039N -0.19 1.02 -0.84 3.45 1.57 -1.08 -1.32 116.57 119.19 3fg1 h LYS 1039Ca 0.15 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3fg1 h LYS 1039Cb 0.42 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3fg1 h LYS 1039CO -0.39 0.83 0.44 0.87 -0.57 0.00 0.00 179.45 180.62 3fg1 h LYS 1040N 0.97 1.18 -0.42 3.15 1.57 -0.86 -1.18 116.57 120.98 3fg1 h LYS 1040Ca 0.23 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3fg1 h LYS 1040Cb 0.17 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3fg1 h LYS 1040CO -0.02 0.87 0.03 0.82 -0.57 0.00 0.00 179.45 180.58 3fg1 h ILE 1041N 1.18 1.25 -0.61 1.86 2.04 -0.76 -1.02 117.51 121.46 3fg1 h ILE 1041Ca 0.29 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3fg1 h ILE 1041Cb 0.06 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3fg1 h ILE 1041CO -0.04 0.33 0.26 0.11 0.00 0.00 0.00 178.15 178.81 3fg1 h LYS 1042N 0.57 0.89 -0.29 2.37 1.57 -0.91 0.35 116.57 121.12 3fg1 h LYS 1042Ca 0.12 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fg1 h LYS 1042Cb 0.44 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3fg1 h LYS 1042CO 0.02 0.75 0.18 1.96 -0.57 0.00 0.00 179.45 181.79 3fg1 h GLN 1043N 0.84 0.39 -0.44 3.15 4.20 -1.16 -1.65 115.11 120.43 3fg1 h GLN 1043Ca 0.20 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.94 3fg1 h GLN 1043Cb 0.17 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 3fg1 h GLN 1043CO -0.02 0.27 0.16 -0.09 -0.67 0.00 0.00 178.83 178.49 3fg1 h ARG 1044N 0.38 0.33 0.00 1.46 1.12 -0.99 -2.90 114.38 113.79 3fg1 h ARG 1044Ca 0.10 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.89 3fg1 h ARG 1044Cb -0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 3fg1 h ARG 1044CO -0.02 0.22 -0.31 -0.91 -3.11 0.00 0.00 179.97 175.83 3fg1 h ASN 1045N 0.34 0.00 0.56 -3.80 2.35 -0.67 -2.61 115.58 111.75 3fg1 h ASN 1045Ca 0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3fg1 h ASN 1045Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3fg1 h ASN 1045CO -0.20 0.31 -0.03 1.05 -1.65 0.00 0.00 177.43 176.91 3fg1 h GLU 1046N 0.00 0.00 -0.58 0.81 4.11 -1.08 -2.16 114.58 115.68 3fg1 h GLU 1046Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fg1 h GLU 1046Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3fg1 h GLU 1046CO 0.04 0.03 0.00 0.09 0.07 0.00 0.00 179.01 179.24 3fg1 n ASN 1047N -3.19 3.12 -4.79 3.06 3.02 -0.99 -4.95 115.26 110.53 3fg1 n ASN 1047Ca -0.01 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 3fg1 n ASN 1047Cb 0.22 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 3fg1 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 1048N -1.00 3.97 0.25 3.41 1.43 -0.81 -5.00 118.68 120.94 3fg1 s LEU 1048Ca 0.39 0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 3fg1 s LEU 1048Cb 0.20 -2.22 0.27 0.00 0.03 0.00 0.00 46.19 44.48 3fg1 s LEU 1048CO 0.27 0.31 1.89 -0.33 0.23 0.00 0.00 176.35 178.71 3fg1 h GLU 1049N 4.35 1.23 -3.36 1.70 5.08 -1.92 -3.37 114.58 118.28 3fg1 h GLU 1049Ca -0.50 -0.12 -0.58 0.00 -1.00 0.00 0.00 59.36 57.16 3fg1 h GLU 1049Cb 1.19 -0.25 -0.40 0.00 0.50 0.00 0.00 28.75 29.79 3fg1 h GLU 1049CO 0.61 0.87 -0.76 0.08 -1.00 0.00 0.00 179.01 178.81 3fg1 s VAL 1050N -5.90 0.86 0.28 3.13 1.01 -1.26 -5.12 120.40 113.41 3fg1 s VAL 1050Ca -0.12 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.00 3fg1 s VAL 1050Cb 0.17 -1.65 -0.14 0.00 0.00 0.00 0.00 36.38 34.76 3fg1 s VAL 1050CO 0.82 -0.73 1.01 -2.65 0.00 0.00 0.00 175.10 173.55 3fg1 n PRO 1051N 4.61 1.33 -3.49 2.72 -0.02 -1.26 -4.96 135.00 133.92 3fg1 n PRO 1051Ca 0.00 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3fg1 n PRO 1051Cb 0.40 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 3fg1 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg1 s TYR 1052N -1.00 3.29 -1.04 6.00 5.04 -1.26 -4.95 117.35 123.43 3fg1 s TYR 1052Ca 0.59 -1.26 0.14 0.00 -2.44 0.00 0.00 57.07 54.11 3fg1 s TYR 1052Cb -0.71 -3.10 -0.05 0.00 0.35 0.00 0.00 41.96 38.44 3fg1 s TYR 1052CO 0.59 -0.83 0.70 0.44 -1.34 0.00 0.00 175.55 175.11 3fg1 n ILE 1053N 5.06 0.00 0.31 3.14 -5.35 -1.26 -4.67 119.36 116.59 3fg1 n ILE 1053Ca -0.11 -0.29 0.16 0.00 -0.27 0.00 0.00 62.75 62.23 3fg1 n ILE 1053Cb 0.43 1.11 0.65 0.00 -1.74 0.00 0.00 39.64 40.09 3fg1 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg1 h TYR 1054N 0.99 0.00 -0.30 4.28 0.99 -1.94 -2.19 116.97 118.80 3fg1 h TYR 1054Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 3fg1 h TYR 1054Cb 0.42 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.12 3fg1 h TYR 1054CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3fg1 n LEU 1055N -2.86 4.02 -4.71 3.88 4.77 -1.26 -4.46 117.00 116.37 3fg1 n LEU 1055Ca 0.01 -3.16 -0.42 0.00 -0.03 0.00 0.00 56.01 52.41 3fg1 n LEU 1055Cb 0.28 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3fg1 n LEU 1055CO 0.25 0.78 1.11 -0.76 -1.33 0.00 0.00 177.39 177.43 3fg1 s LEU 1056N -2.91 4.36 0.42 2.23 1.43 -0.82 -4.92 118.68 118.48 3fg1 s LEU 1056Ca 0.43 2.35 0.19 0.00 -1.03 0.00 0.00 54.13 56.07 3fg1 s LEU 1056Cb 0.36 -3.58 1.13 0.00 0.03 0.00 0.00 46.19 44.13 3fg1 s LEU 1056CO 0.08 -0.70 1.83 -0.65 0.23 0.00 0.00 176.35 177.14 3fg1 h PRO 1057N 7.02 0.35 0.00 1.29 0.11 -1.91 0.47 132.00 139.33 3fg1 h PRO 1057Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fg1 h PRO 1057Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fg1 h PRO 1057CO 0.88 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 3fg1 n GLU 1058N -4.51 0.13 0.00 1.05 0.00 -1.26 -2.35 120.64 113.70 3fg1 n GLU 1058Ca 0.21 0.15 0.03 0.00 0.00 0.00 0.00 57.16 57.55 3fg1 n GLU 1058Cb 0.78 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.75 3fg1 n GLU 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fg1 n ARG 1059N -1.39 0.03 -3.55 3.44 1.74 0.12 -4.91 116.66 112.14 3fg1 n ARG 1059Ca 0.06 -0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 55.92 3fg1 n ARG 1059Cb 0.18 -1.10 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 3fg1 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg1 s ILE 1060N -0.53 5.06 0.57 0.55 1.01 -0.98 -4.95 121.20 121.94 3fg1 s ILE 1060Ca 0.07 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 3fg1 s ILE 1060Cb 0.05 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3fg1 s ILE 1060CO 0.08 -0.09 1.29 -2.84 0.00 0.00 0.00 174.94 173.38 3fg1 s PRO 1061N 1.67 3.02 0.45 2.79 0.02 -1.26 0.13 135.00 141.82 3fg1 s PRO 1061Ca 0.05 2.06 0.18 0.00 0.02 0.00 0.00 61.00 63.31 3fg1 s PRO 1061Cb -0.18 -2.10 1.13 0.00 0.02 0.00 0.00 34.50 33.38 3fg1 s PRO 1061CO 0.09 -1.23 1.95 -0.91 -0.33 0.00 0.00 177.00 176.57 3fg1 h ASN 1062N 1.17 0.29 -3.85 2.53 2.35 -1.35 -3.40 115.58 113.32 3fg1 h ASN 1062Ca -0.51 0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 54.94 3fg1 h ASN 1062Cb 1.30 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.56 3fg1 h ASN 1062CO 0.56 0.15 -0.26 0.61 -1.65 0.00 0.00 177.43 176.84 3fg1 n GLY 1063N -1.55 3.64 3.23 2.83 0.00 -1.26 -3.73 105.19 108.36 3fg1 n GLY 1063Ca 0.13 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3fg1 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg1 s THR 1064N -2.37 4.57 0.00 2.61 2.01 -1.03 -4.63 115.64 116.80 3fg1 s THR 1064Ca 0.11 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3fg1 s THR 1064Cb 0.01 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3fg1 s THR 1064CO 0.08 -0.85 0.40 0.00 -0.69 0.00 0.00 174.62 173.55 3fg1 n ALA 1065N 4.61 1.69 -1.60 7.40 0.00 -1.26 -1.73 120.51 129.62 3fg1 n ALA 1065Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3fg1 n ALA 1065Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3fg1 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01