#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg4 s HIS 373 N 0.00 3.33 0.22 -1.40 0.09 -1.26 0.24 115.29 116.51 3fg4 s HIS 373 Ca 0.00 0.23 0.07 0.00 -0.00 0.00 0.00 55.06 55.37 3fg4 s HIS 373 Cb 0.00 -1.75 -0.05 0.00 -0.00 0.00 0.00 32.58 30.78 3fg4 s HIS 373 CO 0.00 0.57 -0.12 0.00 -0.00 0.00 0.00 174.74 175.19 3fg4 s ALA 374 N -1.22 2.07 -0.21 -1.40 0.00 0.33 -4.55 121.76 116.78 3fg4 s ALA 374 Ca 0.24 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 3fg4 s ALA 374 Cb -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3fg4 s ALA 374 CO 0.15 0.03 0.01 0.42 0.00 0.00 0.00 175.76 176.37 3fg4 s ILE 375 N -3.00 4.00 -0.17 0.00 -1.09 -1.26 -1.44 121.20 118.24 3fg4 s ILE 375 Ca 0.24 -0.29 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3fg4 s ILE 375 Cb 0.00 -2.82 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3fg4 s ILE 375 CO 0.08 0.41 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.81 3fg4 s TYR 376 N 1.11 2.90 -0.27 3.97 1.51 0.11 -0.89 117.35 125.79 3fg4 s TYR 376 Ca 0.03 -0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 55.20 3fg4 s TYR 376 Cb -0.14 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 3fg4 s TYR 376 CO 0.02 -0.32 0.50 -0.80 -1.11 0.00 0.00 175.55 173.84 3fg4 s ASN 377 N 0.78 6.40 -0.22 2.29 0.01 0.79 -0.70 114.94 124.29 3fg4 s ASN 377 Ca -0.03 0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 52.55 3fg4 s ASN 377 Cb -0.15 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.26 3fg4 s ASN 377 CO 0.01 -0.30 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.49 3fg4 s VAL 378 N 2.29 2.47 -0.16 1.60 1.01 0.18 -1.06 120.40 126.74 3fg4 s VAL 378 Ca 0.20 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3fg4 s VAL 378 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3fg4 s VAL 378 CO 0.10 0.35 -0.04 -0.70 0.00 0.00 0.00 175.10 174.81 3fg4 s GLU 379 N 1.30 3.66 -0.13 2.72 2.12 -0.42 -0.20 118.70 127.75 3fg4 s GLU 379 Ca 0.02 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.84 3fg4 s GLU 379 Cb -0.15 -2.92 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 3fg4 s GLU 379 CO -0.08 0.22 -0.18 0.08 -0.54 0.00 0.00 175.26 174.75 3fg4 s VAL 380 N 0.43 2.51 -0.39 3.70 1.01 -0.37 -1.02 120.40 126.26 3fg4 s VAL 380 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 3fg4 s VAL 380 Cb -0.14 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.26 3fg4 s VAL 380 CO 0.03 0.54 0.23 -1.61 0.00 0.00 0.00 175.10 174.28 3fg4 s GLU 381 N 0.53 2.73 0.35 2.72 2.02 -0.44 -1.33 118.70 125.27 3fg4 s GLU 381 Ca -0.12 -1.25 -0.25 0.00 0.02 0.00 0.00 54.97 53.37 3fg4 s GLU 381 Cb -0.16 -3.75 -0.10 0.00 0.10 0.00 0.00 34.13 30.21 3fg4 s GLU 381 CO 0.04 -0.82 0.95 0.99 0.02 0.00 0.00 175.26 176.45 3fg4 s THR 382 N 1.50 4.20 0.59 3.63 2.01 -0.17 -0.45 115.64 126.95 3fg4 s THR 382 Ca 0.02 1.73 -0.18 0.00 0.31 0.00 0.00 61.69 63.57 3fg4 s THR 382 Cb -0.21 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3fg4 s THR 382 CO 0.05 0.05 1.14 -0.83 -0.69 0.00 0.00 174.62 174.34 3fg4 s GLY 383 N -1.71 2.51 0.00 4.40 0.00 -0.38 -2.86 107.32 109.29 3fg4 s GLY 383 Ca 0.53 0.78 0.29 0.00 0.00 0.00 0.00 44.72 46.32 3fg4 s GLY 383 CO 0.22 1.14 1.97 1.22 0.00 0.00 0.00 173.10 177.66 3fg4 n ASP 384 N -1.71 0.00 -4.76 1.64 8.00 -1.26 -1.51 116.55 116.95 3fg4 n ASP 384 Ca 0.12 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.50 3fg4 n ASP 384 Cb 0.51 -0.40 0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3fg4 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg4 s ARG 385 N -2.81 2.65 0.12 -1.24 1.70 -1.26 -4.64 118.95 113.47 3fg4 s ARG 385 Ca 0.20 1.45 -0.35 0.00 -0.47 0.00 0.00 55.73 56.56 3fg4 s ARG 385 Cb 0.19 -1.93 -0.15 0.00 -0.57 0.00 0.00 34.95 32.50 3fg4 s ARG 385 CO 0.49 -1.38 1.52 -1.91 -1.08 0.00 0.00 175.30 172.94 3fg4 n GLU 386 N -2.52 1.83 -1.06 3.89 2.13 -1.26 -1.16 120.64 122.49 3fg4 n GLU 386 Ca 0.11 0.66 -0.02 0.00 0.66 0.00 0.00 57.16 58.57 3fg4 n GLU 386 Cb 0.52 -2.39 -0.01 0.00 0.27 0.00 0.00 31.44 29.82 3fg4 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg4 n HIS 387 N 3.29 0.00 -0.08 4.31 8.25 -1.26 -4.66 115.22 125.07 3fg4 n HIS 387 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.77 3fg4 n HIS 387 Cb 0.26 -1.48 0.52 0.00 1.12 0.00 0.00 29.99 30.41 3fg4 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg4 h ALA 388 N 0.00 2.08 -2.40 -1.41 0.00 -1.41 -3.42 119.26 112.71 3fg4 h ALA 388 Ca -0.04 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 3fg4 h ALA 388 Cb 0.69 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 18.56 3fg4 h ALA 388 CO 0.06 -0.23 0.23 0.20 0.00 0.00 0.00 179.25 179.52 3fg4 s GLY 389 N -3.82 1.57 -0.02 0.00 0.00 -1.26 0.16 107.32 103.94 3fg4 s GLY 389 Ca -0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 3fg4 s GLY 389 CO 0.75 0.20 0.34 -1.08 0.00 0.00 0.00 173.10 173.31 3fg4 s THR 390 N -3.06 0.05 -0.21 0.90 -1.32 -0.82 -4.54 115.64 106.64 3fg4 s THR 390 Ca 0.65 -0.41 0.17 0.00 -1.21 0.00 0.00 61.69 60.88 3fg4 s THR 390 Cb -0.17 -0.64 0.47 0.00 -1.51 0.00 0.00 72.50 70.65 3fg4 s THR 390 CO 0.56 -0.23 1.37 -0.90 -2.21 0.00 0.00 174.62 173.21 3fg4 n ASP 391 N 1.34 3.57 -4.72 8.08 5.75 -1.26 -3.92 116.55 125.39 3fg4 n ASP 391 Ca -0.21 -2.96 -0.33 0.00 -0.01 0.00 0.00 54.79 51.28 3fg4 n ASP 391 Cb 0.56 -0.50 0.10 0.00 -1.03 0.00 0.00 41.12 40.25 3fg4 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg4 s ALA 392 N -2.71 2.06 -0.12 2.12 0.00 -1.26 -4.80 121.76 117.04 3fg4 s ALA 392 Ca 0.39 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 3fg4 s ALA 392 Cb 0.32 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3fg4 s ALA 392 CO 0.08 -1.96 1.17 0.99 0.00 0.00 0.00 175.76 176.05 3fg4 s THR 393 N -2.19 4.39 -0.12 0.00 2.01 -1.26 -4.92 115.64 113.55 3fg4 s THR 393 Ca 0.72 1.69 -0.03 0.00 0.31 0.00 0.00 61.69 64.38 3fg4 s THR 393 Cb -0.26 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 3fg4 s THR 393 CO 0.48 -0.06 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.69 3fg4 s ILE 394 N 2.68 4.06 0.17 1.82 -1.09 -1.26 -1.91 121.20 125.66 3fg4 s ILE 394 Ca 0.53 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.72 3fg4 s ILE 394 Cb -0.22 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 3fg4 s ILE 394 CO 0.17 0.55 -0.19 0.42 -1.23 0.00 0.00 174.94 174.67 3fg4 s THR 395 N -0.26 1.85 0.02 2.92 -4.23 -0.28 -1.49 115.64 114.17 3fg4 s THR 395 Ca 0.05 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3fg4 s THR 395 Cb -0.13 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 3fg4 s THR 395 CO 0.02 -0.31 -0.22 -0.51 -0.54 0.00 0.00 174.62 173.06 3fg4 s ILE 396 N -2.04 1.78 -0.07 2.99 2.07 0.08 -0.53 121.20 125.49 3fg4 s ILE 396 Ca 0.16 -1.15 0.05 0.00 -1.41 0.00 0.00 60.65 58.31 3fg4 s ILE 396 Cb -0.06 -1.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.01 3fg4 s ILE 396 CO 0.07 0.33 -0.24 -0.60 -1.91 0.00 0.00 174.94 172.60 3fg4 s ARG 397 N -0.97 2.56 -0.16 3.50 3.52 -0.69 0.53 118.95 127.25 3fg4 s ARG 397 Ca 0.09 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 3fg4 s ARG 397 Cb -0.09 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.18 3fg4 s ARG 397 CO 0.01 0.30 -0.10 0.42 -0.81 0.00 0.00 175.30 175.13 3fg4 s ILE 398 N 0.01 3.23 -0.11 4.11 1.01 -1.26 -0.40 121.20 127.78 3fg4 s ILE 398 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 3fg4 s ILE 398 Cb -0.15 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3fg4 s ILE 398 CO 0.05 0.49 -0.09 -0.89 0.00 0.00 0.00 174.94 174.51 3fg4 s THR 399 N 0.68 3.50 0.00 2.92 2.01 -0.43 -1.00 115.64 123.31 3fg4 s THR 399 Ca -0.05 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3fg4 s THR 399 Cb -0.15 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.89 3fg4 s THR 399 CO 0.02 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3fg4 n GLY 400 N 3.01 3.38 0.22 4.40 0.00 0.17 -0.65 105.19 115.72 3fg4 n GLY 400 Ca -0.18 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.67 3fg4 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 401 N 1.49 1.13 -0.34 4.61 0.00 0.94 -2.94 119.26 124.15 3fg4 h ALA 401 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3fg4 h ALA 401 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fg4 h ALA 401 CO 0.00 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.21 3fg4 n LYS 402 N -3.59 2.31 -0.87 0.00 5.02 -0.08 -4.99 118.16 115.95 3fg4 n LYS 402 Ca -0.01 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 3fg4 n LYS 402 Cb 0.40 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3fg4 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg4 n GLY 403 N 0.88 0.49 3.15 0.72 0.00 -1.11 -4.89 105.19 104.43 3fg4 n GLY 403 Ca 0.14 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 3fg4 n GLY 403 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg4 s ARG 404 N -2.00 1.07 0.82 1.61 0.52 -1.26 -0.66 118.95 119.06 3fg4 s ARG 404 Ca 0.00 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 3fg4 s ARG 404 Cb 0.00 -1.08 0.09 0.00 0.52 0.00 0.00 34.95 34.48 3fg4 s ARG 404 CO 0.00 0.28 1.17 0.95 0.02 0.00 0.00 175.30 177.72 3fg4 s THR 405 N -0.66 2.09 1.23 0.02 -4.23 -0.17 -4.93 115.64 108.99 3fg4 s THR 405 Ca 0.04 0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 3fg4 s THR 405 Cb -0.07 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.09 3fg4 s THR 405 CO 0.01 -0.04 1.10 -1.81 -0.54 0.00 0.00 174.62 173.34 3fg4 s ASP 406 N -4.47 0.68 -0.36 3.99 1.01 -1.26 -4.59 116.67 111.67 3fg4 s ASP 406 Ca 0.62 0.59 -0.29 0.00 0.71 0.00 0.00 52.55 54.18 3fg4 s ASP 406 Cb -0.12 -0.80 0.02 0.00 1.01 0.00 0.00 42.92 43.03 3fg4 s ASP 406 CO 0.50 -4.27 1.11 -0.31 0.21 0.00 0.00 175.17 172.41 3fg4 s TYR 407 N -2.98 3.03 -0.09 4.23 1.51 -1.26 -4.49 117.35 117.30 3fg4 s TYR 407 Ca 0.71 1.06 -0.05 0.00 -1.01 0.00 0.00 57.07 57.78 3fg4 s TYR 407 Cb -0.09 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 3fg4 s TYR 407 CO 0.56 -0.96 0.11 -0.51 -1.11 0.00 0.00 175.55 173.64 3fg4 s LEU 408 N 3.91 4.20 0.04 -1.29 1.43 0.19 -4.81 118.68 122.34 3fg4 s LEU 408 Ca 0.47 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 3fg4 s LEU 408 Cb -0.11 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3fg4 s LEU 408 CO 0.20 0.38 1.19 -0.54 0.23 0.00 0.00 176.35 177.81 3fg4 s LYS 409 N -1.14 4.43 -0.95 1.70 3.01 -1.26 -0.74 119.74 124.79 3fg4 s LYS 409 Ca 0.16 1.73 -0.04 0.00 -1.01 0.00 0.00 55.97 56.82 3fg4 s LYS 409 Cb -0.12 -3.39 0.23 0.00 -1.01 0.00 0.00 37.83 33.55 3fg4 s LYS 409 CO 0.06 -0.27 0.86 -0.51 0.51 0.00 0.00 175.35 175.99 3fg4 s LEU 410 N 1.25 5.78 -0.41 3.17 1.43 -0.56 -4.93 118.68 124.41 3fg4 s LEU 410 Ca 0.58 -3.65 0.03 0.00 -1.03 0.00 0.00 54.13 50.05 3fg4 s LEU 410 Cb -0.28 -1.99 0.16 0.00 0.03 0.00 0.00 46.19 44.10 3fg4 s LEU 410 CO 0.28 -0.22 0.30 -0.62 0.23 0.00 0.00 176.35 176.32 3fg4 s ASP 411 N 0.31 2.16 -0.37 2.29 2.15 -1.26 -4.43 116.67 117.52 3fg4 s ASP 411 Ca 0.28 -2.82 -0.00 0.00 0.43 0.00 0.00 52.55 50.44 3fg4 s ASP 411 Cb -0.08 -0.51 0.18 0.00 -0.30 0.00 0.00 42.92 42.21 3fg4 s ASP 411 CO -0.11 -0.21 0.83 -0.54 -0.17 0.00 0.00 175.17 174.97 3fg4 s LYS 412 N 0.31 0.52 0.00 4.34 3.01 -1.26 -5.14 119.74 121.51 3fg4 s LYS 412 Ca 0.27 -0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.06 3fg4 s LYS 412 Cb -0.06 0.06 0.00 0.00 -1.01 0.00 0.00 37.83 36.82 3fg4 s LYS 412 CO -0.12 -0.75 0.00 0.41 0.51 0.00 0.00 175.35 175.40 3fg4 n GLY 413 N 4.05 -3.44 3.94 -3.33 0.00 -1.26 -4.97 105.19 100.18 3fg4 n GLY 413 Ca 0.09 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 3fg4 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 414 N -0.47 6.23 -0.67 1.61 1.04 -1.26 -5.07 113.70 115.11 3fg4 s SER 414 Ca 0.00 0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 3fg4 s SER 414 Cb 0.00 -1.82 0.17 0.00 0.10 0.00 0.00 66.02 64.47 3fg4 s SER 414 CO 0.00 -0.02 0.51 -0.36 0.98 0.00 0.00 173.24 174.36 3fg4 s PHE 418 N -1.89 3.48 0.42 5.02 0.40 -1.25 -4.97 117.98 119.19 3fg4 s PHE 418 Ca 0.34 -2.55 -0.14 0.00 -0.60 0.00 0.00 56.93 53.98 3fg4 s PHE 418 Cb -0.10 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 40.02 3fg4 s PHE 418 CO 0.28 -0.87 0.83 -1.21 0.70 0.00 0.00 175.22 174.95 3fg4 s GLU 419 N -0.01 3.91 0.08 0.44 0.41 -1.26 -1.95 118.70 120.33 3fg4 s GLU 419 Ca 0.17 0.70 -0.36 0.00 -0.41 0.00 0.00 54.97 55.06 3fg4 s GLU 419 Cb -0.18 -2.31 -0.18 0.00 -1.78 0.00 0.00 34.13 29.68 3fg4 s GLU 419 CO -0.05 -0.06 1.15 0.00 -0.49 0.00 0.00 175.26 175.82 3fg4 n ALA 420 N -1.12 -1.96 0.00 5.21 0.00 -1.26 -1.30 120.51 120.08 3fg4 n ALA 420 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3fg4 n ALA 420 Cb 0.54 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3fg4 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg4 n GLY 421 N 2.03 2.63 3.76 0.00 0.00 -0.57 -4.82 105.19 108.21 3fg4 n GLY 421 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3fg4 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 422 N -2.71 5.62 -0.31 1.61 1.04 -0.42 -4.75 113.70 113.77 3fg4 s SER 422 Ca 0.00 2.63 -0.01 0.00 0.48 0.00 0.00 55.95 59.04 3fg4 s SER 422 Cb 0.00 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.55 3fg4 s SER 422 CO 0.00 -1.32 0.02 -0.54 0.98 0.00 0.00 173.24 172.38 3fg4 s LYS 423 N -2.79 2.31 0.02 4.02 3.01 -1.26 -1.00 119.74 124.05 3fg4 s LYS 423 Ca 0.68 -1.37 0.06 0.00 -1.01 0.00 0.00 55.97 54.33 3fg4 s LYS 423 Cb -0.37 -3.21 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 3fg4 s LYS 423 CO 0.44 -0.69 -0.16 -1.21 0.51 0.00 0.00 175.35 174.24 3fg4 s GLU 424 N 1.21 2.21 0.01 1.68 0.41 -0.44 -4.95 118.70 118.82 3fg4 s GLU 424 Ca -0.03 -0.90 0.07 0.00 -0.41 0.00 0.00 54.97 53.70 3fg4 s GLU 424 Cb -0.20 -2.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.87 3fg4 s GLU 424 CO -0.02 0.56 -0.22 -0.65 -0.49 0.00 0.00 175.26 174.45 3fg4 s GLN 425 N -1.28 2.10 0.01 1.61 -0.21 -1.26 -1.24 119.66 119.39 3fg4 s GLN 425 Ca 0.14 -0.94 0.01 0.00 0.02 0.00 0.00 55.36 54.59 3fg4 s GLN 425 Cb -0.11 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 3fg4 s GLN 425 CO 0.04 0.55 -0.05 0.71 -2.12 0.00 0.00 175.29 174.43 3fg4 s TYR 426 N -0.77 0.40 -0.21 0.91 1.51 0.71 -5.00 117.35 114.90 3fg4 s TYR 426 Ca 0.12 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3fg4 s TYR 426 Cb -0.10 -0.25 0.02 0.00 -0.11 0.00 0.00 41.96 41.51 3fg4 s TYR 426 CO 0.02 -0.04 -0.11 0.99 -1.11 0.00 0.00 175.55 175.29 3fg4 s THR 427 N -0.50 2.64 0.09 -0.71 2.01 -1.26 -0.64 115.64 117.27 3fg4 s THR 427 Ca -0.03 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.17 3fg4 s THR 427 Cb -0.04 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 3fg4 s THR 427 CO -0.00 0.38 -0.21 0.68 -0.69 0.00 0.00 174.62 174.77 3fg4 s VAL 428 N 1.34 1.74 -0.09 3.82 -7.23 0.13 -4.95 120.40 115.16 3fg4 s VAL 428 Ca 0.03 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3fg4 s VAL 428 Cb -0.15 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3fg4 s VAL 428 CO -0.08 0.04 0.06 -1.58 -0.31 0.00 0.00 175.10 173.23 3fg4 s GLN 429 N -1.69 3.15 0.21 4.82 0.74 -1.26 0.06 119.66 125.69 3fg4 s GLN 429 Ca 0.07 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.93 3fg4 s GLN 429 Cb -0.10 -2.94 0.04 0.00 1.10 0.00 0.00 33.01 31.12 3fg4 s GLN 429 CO 0.04 0.72 0.82 0.20 -0.55 0.00 0.00 175.29 176.52 3fg4 s GLY 430 N -1.04 -0.20 0.13 2.59 0.00 -0.52 -5.00 107.32 103.29 3fg4 s GLY 430 Ca 0.15 -0.03 -0.35 0.00 0.00 0.00 0.00 44.72 44.50 3fg4 s GLY 430 CO 0.04 -0.02 1.30 0.33 0.00 0.00 0.00 173.10 174.75 3fg4 n PHE 431 N -0.45 1.53 -2.07 1.90 -0.00 -1.26 -0.51 117.46 116.59 3fg4 n PHE 431 Ca -0.06 0.61 -0.43 0.00 -0.00 0.00 0.00 57.45 57.58 3fg4 n PHE 431 Cb 0.60 -2.34 -0.03 0.00 -0.00 0.00 0.00 39.48 37.72 3fg4 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg4 s ASP 432 N 0.34 6.14 -0.02 -2.13 2.15 0.14 -4.49 116.67 118.80 3fg4 s ASP 432 Ca 0.79 1.43 0.13 0.00 0.43 0.00 0.00 52.55 55.33 3fg4 s ASP 432 Cb -0.88 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 39.60 3fg4 s ASP 432 CO 0.48 -1.48 1.31 1.33 -0.17 0.00 0.00 175.17 176.63 3fg4 n VAL 433 N 6.94 0.72 -4.50 1.11 0.24 -1.26 -4.78 118.33 116.80 3fg4 n VAL 433 Ca 0.21 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3fg4 n VAL 433 Cb 0.46 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3fg4 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg4 n GLY 434 N 1.08 0.83 3.68 7.63 0.00 -1.26 0.46 105.19 117.61 3fg4 n GLY 434 Ca 0.15 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3fg4 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg4 s ASP 435 N -4.00 6.43 0.17 1.61 2.15 -1.26 -4.67 116.67 117.10 3fg4 s ASP 435 Ca 0.00 2.73 -0.30 0.00 0.43 0.00 0.00 52.55 55.41 3fg4 s ASP 435 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 3fg4 s ASP 435 CO 0.00 -1.02 1.08 -0.63 -0.17 0.00 0.00 175.17 174.42 3fg4 s ILE 436 N 3.36 3.96 -0.01 4.11 1.01 -1.26 -1.67 121.20 130.70 3fg4 s ILE 436 Ca 0.84 1.68 0.01 0.00 0.00 0.00 0.00 60.65 63.18 3fg4 s ILE 436 Cb -0.45 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 3fg4 s ILE 436 CO 0.38 0.29 0.02 0.00 0.00 0.00 0.00 174.94 175.63 3fg4 n GLN 437 N 2.42 1.85 -3.52 2.79 6.02 0.17 -4.96 117.38 122.15 3fg4 n GLN 437 Ca 0.03 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 3fg4 n GLN 437 Cb 0.47 -1.04 -0.05 0.00 1.02 0.00 0.00 30.24 30.64 3fg4 n GLN 437 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fg4 s LEU 438 N -3.59 -0.54 0.16 1.08 0.20 -1.08 -4.40 118.68 110.52 3fg4 s LEU 438 Ca -0.01 0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.29 3fg4 s LEU 438 Cb 0.01 2.32 -0.05 0.00 -0.43 0.00 0.00 46.19 48.05 3fg4 s LEU 438 CO 0.06 -0.60 0.01 0.27 -0.29 0.00 0.00 176.35 175.80 3fg4 s ILE 439 N -1.74 0.60 0.01 6.68 -4.36 -1.04 -1.31 121.20 120.05 3fg4 s ILE 439 Ca -0.05 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3fg4 s ILE 439 Cb -0.00 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 3fg4 s ILE 439 CO 0.03 -0.49 -0.07 -1.61 0.24 0.00 0.00 174.94 173.03 3fg4 s GLU 440 N -3.93 0.54 -0.06 0.37 2.02 0.46 -0.54 118.70 117.56 3fg4 s GLU 440 Ca 0.23 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.80 3fg4 s GLU 440 Cb 0.06 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 3fg4 s GLU 440 CO 0.03 0.11 -0.12 -0.51 0.02 0.00 0.00 175.26 174.79 3fg4 s LEU 441 N -0.70 2.85 -0.01 1.80 1.43 0.51 -1.70 118.68 122.86 3fg4 s LEU 441 Ca -0.02 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3fg4 s LEU 441 Cb -0.05 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3fg4 s LEU 441 CO 0.00 0.33 -0.19 -2.28 0.23 0.00 0.00 176.35 174.44 3fg4 s HIS 442 N -0.63 1.74 -0.04 0.29 5.65 0.31 -1.28 115.29 121.32 3fg4 s HIS 442 Ca 0.09 -0.33 0.04 0.00 0.25 0.00 0.00 55.06 55.11 3fg4 s HIS 442 Cb -0.11 -1.11 -0.00 0.00 -1.18 0.00 0.00 32.58 30.18 3fg4 s HIS 442 CO 0.01 -0.02 -0.16 0.45 -0.65 0.00 0.00 174.74 174.38 3fg4 s SER 443 N -0.53 1.98 0.00 9.88 0.15 -0.02 -1.12 113.70 124.04 3fg4 s SER 443 Ca 0.07 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.64 3fg4 s SER 443 Cb -0.08 -0.56 1.39 0.00 -1.71 0.00 0.00 66.02 65.06 3fg4 s SER 443 CO -0.00 0.14 1.81 -0.90 1.20 0.00 0.00 173.24 175.48 3fg4 n ASP 444 N 3.18 0.00 0.00 5.45 5.75 -0.80 -4.60 116.55 125.53 3fg4 n ASP 444 Ca -0.18 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3fg4 n ASP 444 Cb 0.53 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3fg4 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg4 n GLY 445 N 0.58 0.57 0.00 6.12 0.00 -1.26 -4.91 105.19 106.28 3fg4 n GLY 445 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fg4 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 446 N -2.72 -1.44 0.00 -0.02 0.00 -1.26 -4.70 105.19 95.04 3fg4 n GLY 446 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3fg4 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 447 N -1.64 1.18 0.37 -0.02 0.00 -1.26 -4.92 105.19 98.89 3fg4 n GLY 447 Ca 0.00 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.16 3fg4 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg4 h TYR 448 N -0.24 0.91 -0.01 1.61 5.03 -2.03 -2.22 116.97 120.02 3fg4 h TYR 448 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fg4 h TYR 448 Cb 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.01 3fg4 h TYR 448 CO 0.00 0.20 -0.05 0.91 -1.32 0.00 0.00 178.16 177.90 3fg4 n TRP 449 N -4.69 0.00 -2.40 -3.82 7.02 -1.26 -4.92 117.44 107.37 3fg4 n TRP 449 Ca 0.23 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.28 3fg4 n TRP 449 Cb 0.64 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 29.46 3fg4 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg4 s SER 450 N -2.13 6.92 -0.11 -0.99 0.01 -0.84 -4.97 113.70 111.59 3fg4 s SER 450 Ca 0.37 1.72 -0.28 0.00 1.31 0.00 0.00 55.95 59.07 3fg4 s SER 450 Cb 0.21 -2.54 -0.26 0.00 0.21 0.00 0.00 66.02 63.65 3fg4 s SER 450 CO 0.39 -0.78 0.86 1.23 0.41 0.00 0.00 173.24 175.35 3fg4 h GLY 451 N 9.79 0.05 -5.78 3.44 0.00 -1.91 -3.44 103.07 105.22 3fg4 h GLY 451 Ca -0.27 -0.11 -0.43 0.00 0.00 0.00 0.00 47.33 46.52 3fg4 h GLY 451 CO 0.97 0.09 -0.83 1.34 0.00 0.00 0.00 176.54 178.11 3fg4 n ASP 452 N -4.59 -1.35 0.31 0.19 2.03 -1.26 -5.02 116.55 106.86 3fg4 n ASP 452 Ca -0.10 -2.70 0.19 0.00 0.52 0.00 0.00 54.79 52.70 3fg4 n ASP 452 Cb 0.49 0.28 1.00 0.00 -0.72 0.00 0.00 41.12 42.17 3fg4 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg4 h PRO 453 N 4.89 0.00 -6.71 -0.67 0.13 -1.85 -3.43 132.00 124.35 3fg4 h PRO 453 Ca 0.12 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.68 3fg4 h PRO 453 Cb 0.97 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.20 3fg4 h PRO 453 CO 0.30 0.02 0.50 -0.25 -0.23 0.00 0.00 178.00 178.35 3fg4 n ASP 454 N -3.35 2.69 -3.88 1.44 10.43 -1.26 -4.68 116.55 117.95 3fg4 n ASP 454 Ca -0.02 1.20 -0.26 0.00 2.57 0.00 0.00 54.79 58.27 3fg4 n ASP 454 Cb 0.13 -1.47 -0.17 0.00 1.84 0.00 0.00 41.12 41.46 3fg4 n ASP 454 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fg4 s TRP 455 N -0.95 1.36 -0.38 1.24 -0.00 -0.48 -4.60 118.94 115.13 3fg4 s TRP 455 Ca 0.57 -0.67 -0.19 0.00 -0.00 0.00 0.00 56.10 55.82 3fg4 s TRP 455 Cb -0.59 -1.16 0.01 0.00 -0.00 0.00 0.00 33.47 31.73 3fg4 s TRP 455 CO 0.60 -0.49 0.53 0.12 -0.00 0.00 0.00 176.95 177.71 3fg4 s PHE 456 N 1.75 3.15 -0.14 5.86 5.36 0.12 0.35 117.98 134.44 3fg4 s PHE 456 Ca 0.05 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.00 3fg4 s PHE 456 Cb -0.13 -3.02 -0.03 0.00 -0.34 0.00 0.00 43.02 39.50 3fg4 s PHE 456 CO -0.08 -0.65 -0.00 0.08 -1.46 0.00 0.00 175.22 173.11 3fg4 s VAL 457 N 2.45 4.25 -0.14 3.12 1.01 -1.10 -1.24 120.40 128.75 3fg4 s VAL 457 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 3fg4 s VAL 457 Cb -0.15 -2.85 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 3fg4 s VAL 457 CO 0.15 0.53 0.20 0.78 0.00 0.00 0.00 175.10 176.75 3fg4 h ASN 458 N 6.15 0.00 -4.04 3.32 -0.26 -1.05 0.16 115.58 119.86 3fg4 h ASN 458 Ca -0.39 -0.35 -0.09 0.00 -0.56 0.00 0.00 56.30 54.91 3fg4 h ASN 458 Cb 1.19 0.00 -0.23 0.00 -1.06 0.00 0.00 38.32 38.22 3fg4 h ASN 458 CO 0.62 0.85 -0.10 -0.60 -1.06 0.00 0.00 177.43 177.13 3fg4 s ARG 459 N -2.00 0.63 -0.03 0.81 3.52 -1.15 0.62 118.95 121.36 3fg4 s ARG 459 Ca -0.13 0.64 0.07 0.00 -0.13 0.00 0.00 55.73 56.18 3fg4 s ARG 459 Cb 0.01 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3fg4 s ARG 459 CO 0.32 -0.09 -0.23 0.08 -0.81 0.00 0.00 175.30 174.57 3fg4 s VAL 460 N 0.10 2.28 -0.08 7.11 1.01 -0.04 -1.33 120.40 129.46 3fg4 s VAL 460 Ca -0.01 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3fg4 s VAL 460 Cb -0.04 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3fg4 s VAL 460 CO 0.01 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 3fg4 s ILE 461 N -0.64 1.31 -0.09 2.22 1.01 -0.19 -0.35 121.20 124.47 3fg4 s ILE 461 Ca 0.10 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3fg4 s ILE 461 Cb -0.10 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3fg4 s ILE 461 CO -0.01 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.54 3fg4 s ILE 462 N 0.76 1.50 -0.12 2.92 1.01 -0.07 -1.30 121.20 125.90 3fg4 s ILE 462 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3fg4 s ILE 462 Cb -0.16 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3fg4 s ILE 462 CO 0.03 0.44 -0.13 -0.63 0.00 0.00 0.00 174.94 174.64 3fg4 s ILE 463 N 0.63 3.08 -0.15 2.92 1.01 -0.22 -1.46 121.20 127.00 3fg4 s ILE 463 Ca -0.14 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 3fg4 s ILE 463 Cb -0.16 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3fg4 s ILE 463 CO 0.04 0.53 0.13 -0.55 0.00 0.00 0.00 174.94 175.09 3fg4 s SER 464 N 0.24 6.23 0.50 3.58 0.15 -1.26 -0.15 113.70 122.99 3fg4 s SER 464 Ca -0.09 0.34 0.32 0.00 0.70 0.00 0.00 55.95 57.22 3fg4 s SER 464 Cb -0.15 -2.05 1.72 0.00 -1.71 0.00 0.00 66.02 63.83 3fg4 s SER 464 CO 0.05 0.30 1.96 0.77 1.20 0.00 0.00 173.24 177.53 3fg4 h SER 465 N 5.75 0.00 -0.02 5.45 4.64 -1.39 -1.42 113.55 126.56 3fg4 h SER 465 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fg4 h SER 465 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fg4 h SER 465 CO 0.66 0.00 -0.10 0.35 -0.87 0.00 0.00 176.83 176.87 3fg4 n THR 466 N -2.65 0.00 -4.94 2.95 -2.24 -1.26 -4.93 114.28 101.22 3fg4 n THR 466 Ca -0.02 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 3fg4 n THR 466 Cb 0.10 1.36 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 3fg4 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg4 s GLN 467 N -1.77 2.36 -1.22 -0.78 -1.52 -0.54 -5.00 119.66 111.18 3fg4 s GLN 467 Ca 0.21 -0.67 -0.14 0.00 -1.95 0.00 0.00 55.36 52.81 3fg4 s GLN 467 Cb 0.16 -1.86 0.17 0.00 -0.22 0.00 0.00 33.01 31.26 3fg4 s GLN 467 CO 0.31 0.14 1.49 -3.47 -0.25 0.00 0.00 175.29 173.50 3fg4 n ASP 468 N 3.55 5.20 -3.55 5.90 4.64 -1.26 -4.52 116.55 126.51 3fg4 n ASP 468 Ca -0.20 -2.98 -0.11 0.00 -1.38 0.00 0.00 54.79 50.11 3fg4 n ASP 468 Cb 0.52 -1.57 -0.05 0.00 -1.04 0.00 0.00 41.12 38.99 3fg4 n ASP 468 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3fg4 s ARG 469 N 1.60 0.70 -0.18 -0.67 0.52 -1.26 -5.14 118.95 114.52 3fg4 s ARG 469 Ca 0.43 0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.67 3fg4 s ARG 469 Cb -0.02 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 3fg4 s ARG 469 CO 0.01 -0.24 -0.02 0.08 0.02 0.00 0.00 175.30 175.15 3fg4 s VAL 470 N -1.54 3.92 -0.12 3.52 1.01 -1.26 -4.55 120.40 121.39 3fg4 s VAL 470 Ca -0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3fg4 s VAL 470 Cb -0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3fg4 s VAL 470 CO 0.01 0.46 0.08 -0.31 0.00 0.00 0.00 175.10 175.33 3fg4 s TYR 471 N 0.70 3.37 -0.12 5.22 1.51 -0.54 -4.97 117.35 122.53 3fg4 s TYR 471 Ca -0.01 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3fg4 s TYR 471 Cb -0.14 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 3fg4 s TYR 471 CO 0.02 0.53 -0.11 0.45 -1.11 0.00 0.00 175.55 175.32 3fg4 s SER 472 N -0.69 2.37 -0.50 2.29 0.15 -1.26 -0.89 113.70 115.17 3fg4 s SER 472 Ca 0.12 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.42 3fg4 s SER 472 Cb -0.12 -1.00 0.13 0.00 -1.71 0.00 0.00 66.02 63.32 3fg4 s SER 472 CO 0.02 -0.07 0.24 -0.36 1.20 0.00 0.00 173.24 174.28 3fg4 s PHE 473 N 1.45 3.28 0.60 3.44 0.40 0.52 -0.27 117.98 127.40 3fg4 s PHE 473 Ca 0.02 -3.12 -0.19 0.00 -0.60 0.00 0.00 56.93 53.03 3fg4 s PHE 473 Cb -0.13 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 3fg4 s PHE 473 CO -0.07 -0.78 1.29 -2.14 0.70 0.00 0.00 175.22 174.22 3fg4 s PRO 474 N -0.10 2.85 0.00 0.24 0.02 -1.26 -0.86 135.00 135.89 3fg4 s PRO 474 Ca 0.16 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3fg4 s PRO 474 Cb -0.25 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3fg4 s PRO 474 CO -0.01 -1.37 0.00 0.00 -0.33 0.00 0.00 177.00 175.29 3fg4 n PHE 476 N -1.28 -2.33 -4.11 0.00 3.01 0.55 -4.88 117.46 108.42 3fg4 n PHE 476 Ca 0.00 0.83 -0.08 0.00 1.01 0.00 0.00 57.45 59.21 3fg4 n PHE 476 Cb 0.00 -4.37 -0.10 0.00 -0.01 0.00 0.00 39.48 35.00 3fg4 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg4 s ARG 477 N -5.98 0.74 -0.09 -1.08 0.52 -1.21 -5.01 118.95 106.84 3fg4 s ARG 477 Ca 0.43 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 3fg4 s ARG 477 Cb -0.19 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 3fg4 s ARG 477 CO 0.60 -0.17 1.09 -1.58 0.02 0.00 0.00 175.30 175.26 3fg4 s TRP 478 N -3.97 3.37 -0.28 -0.53 0.52 -1.26 -2.72 118.94 114.08 3fg4 s TRP 478 Ca 0.14 1.43 -0.21 0.00 0.02 0.00 0.00 56.10 57.48 3fg4 s TRP 478 Cb 0.08 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.10 3fg4 s TRP 478 CO -0.05 -0.69 0.68 0.08 0.02 0.00 0.00 176.95 176.98 3fg4 s VAL 479 N 2.12 4.92 -0.00 4.03 1.01 0.16 -4.92 120.40 127.72 3fg4 s VAL 479 Ca 0.51 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.59 3fg4 s VAL 479 Cb -0.21 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3fg4 s VAL 479 CO 0.19 -0.08 -0.00 -0.38 0.00 0.00 0.00 175.10 174.83 3fg4 n ILE 480 N 5.32 0.02 0.03 2.22 2.08 -1.26 -1.38 119.36 126.39 3fg4 n ILE 480 Ca 0.01 0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.76 3fg4 n ILE 480 Cb 0.49 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 3fg4 n ILE 480 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3fg4 n LYS 481 N -2.53 0.00 -4.43 0.38 0.00 -1.26 -4.59 118.16 105.74 3fg4 n LYS 481 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 3fg4 n LYS 481 Cb 0.01 -0.49 -0.13 0.00 -0.00 0.00 0.00 35.03 34.42 3fg4 n LYS 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fg4 s ASP 482 N -5.51 2.20 -0.16 -5.58 1.11 -1.26 -0.84 116.67 106.63 3fg4 s ASP 482 Ca 0.00 -0.56 -0.05 0.00 0.18 0.00 0.00 52.55 52.12 3fg4 s ASP 482 Cb 0.00 -0.15 0.08 0.00 1.07 0.00 0.00 42.92 43.92 3fg4 s ASP 482 CO 0.00 0.08 0.30 -0.32 1.18 0.00 0.00 175.17 176.40 3fg4 s MET 483 N -1.41 0.20 -0.02 8.23 1.75 -0.41 -4.97 119.30 122.67 3fg4 s MET 483 Ca 0.05 0.71 -0.25 0.00 -1.25 0.00 0.00 55.69 54.95 3fg4 s MET 483 Cb -0.09 -0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.37 3fg4 s MET 483 CO 0.02 -0.37 0.75 0.08 -0.65 0.00 0.00 175.02 174.86 3fg4 s VAL 484 N 2.45 4.93 -0.11 10.11 1.01 -1.26 -0.36 120.40 137.17 3fg4 s VAL 484 Ca 0.03 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3fg4 s VAL 484 Cb -0.13 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3fg4 s VAL 484 CO -0.10 0.28 -0.21 -0.76 0.00 0.00 0.00 175.10 174.31 3fg4 s LEU 485 N 0.53 2.30 0.18 3.92 1.43 0.30 -5.00 118.68 122.34 3fg4 s LEU 485 Ca 0.39 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3fg4 s LEU 485 Cb -0.19 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3fg4 s LEU 485 CO 0.21 0.17 0.33 -0.36 0.23 0.00 0.00 176.35 176.93 3fg4 s PHE 486 N 0.28 3.48 0.98 0.29 0.08 -1.26 -2.48 117.98 119.34 3fg4 s PHE 486 Ca -0.15 0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 3fg4 s PHE 486 Cb -0.17 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3fg4 s PHE 486 CO 0.07 0.46 -0.04 -0.35 -0.10 0.00 0.00 175.22 175.26 3fg4 n PRO 487 N -0.73 -0.26 -0.09 0.24 -0.04 -1.26 -4.42 135.00 128.45 3fg4 n PRO 487 Ca -0.07 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 3fg4 n PRO 487 Cb 0.54 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3fg4 n PRO 487 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3fg4 h GLY 488 N -1.40 0.44 -5.91 0.55 0.00 -1.02 -3.44 103.07 92.29 3fg4 h GLY 488 Ca -0.44 -0.22 -0.56 0.00 0.00 0.00 0.00 47.33 46.11 3fg4 h GLY 488 CO 0.31 0.21 1.25 -1.83 0.00 0.00 0.00 176.54 176.48 3fg4 s GLU 489 N -5.72 3.81 0.65 4.80 1.03 -1.26 -4.55 118.70 117.46 3fg4 s GLU 489 Ca -0.13 2.18 -0.17 0.00 0.03 0.00 0.00 54.97 56.88 3fg4 s GLU 489 Cb 0.09 -4.16 -0.00 0.00 -0.80 0.00 0.00 34.13 29.25 3fg4 s GLU 489 CO 0.72 -1.31 1.19 0.00 -1.33 0.00 0.00 175.26 174.52 3fg4 s ALA 490 N 5.55 2.38 0.01 -0.84 0.00 -1.26 -5.04 121.76 122.56 3fg4 s ALA 490 Ca 0.85 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 3fg4 s ALA 490 Cb -0.35 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 3fg4 s ALA 490 CO 0.35 -1.43 0.08 0.95 0.00 0.00 0.00 175.76 175.72 3fg4 s THR 491 N -1.89 0.10 0.45 0.00 -4.23 0.83 -4.84 115.64 106.06 3fg4 s THR 491 Ca 0.74 -0.80 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 3fg4 s THR 491 Cb -0.28 -0.43 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 3fg4 s THR 491 CO 0.39 -0.44 1.02 -0.76 -0.54 0.00 0.00 174.62 174.29 3fg4 s LEU 492 N -1.49 3.94 0.60 4.79 1.43 -1.26 -3.89 118.68 122.80 3fg4 s LEU 492 Ca -0.14 1.91 0.29 0.00 -1.03 0.00 0.00 54.13 55.15 3fg4 s LEU 492 Cb -0.08 -4.46 1.51 0.00 0.03 0.00 0.00 46.19 43.19 3fg4 s LEU 492 CO 0.00 -0.62 1.91 1.55 0.23 0.00 0.00 176.35 179.42 3fg4 h PRO 493 N 1.87 0.00 0.00 1.29 0.13 -1.97 -1.18 132.00 132.14 3fg4 h PRO 493 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3fg4 h PRO 493 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fg4 h PRO 493 CO 0.60 0.00 -1.07 1.97 -0.23 0.00 0.00 178.00 179.27 3fg4 n PHE 494 N -3.56 0.47 -1.62 1.56 1.16 -1.26 -4.91 117.46 109.29 3fg4 n PHE 494 Ca 0.06 0.14 -0.43 0.00 -1.87 0.00 0.00 57.45 55.35 3fg4 n PHE 494 Cb 0.59 -0.62 -0.00 0.00 -1.61 0.00 0.00 39.48 37.84 3fg4 n PHE 494 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3fg4 n ASN 495 N -2.21 1.62 -4.69 5.98 5.03 -0.45 -4.87 115.26 115.67 3fg4 n ASN 495 Ca 0.01 1.13 -0.42 0.00 0.87 0.00 0.00 54.58 56.17 3fg4 n ASN 495 Cb 0.48 -1.36 -0.03 0.00 -1.02 0.00 0.00 39.78 37.86 3fg4 n ASN 495 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3fg4 s GLU 496 N -1.81 4.41 -0.05 3.52 4.04 -1.26 -4.98 118.70 122.57 3fg4 s GLU 496 Ca 0.60 1.56 -0.12 0.00 0.04 0.00 0.00 54.97 57.04 3fg4 s GLU 496 Cb -0.61 -3.52 0.02 0.00 0.02 0.00 0.00 34.13 30.04 3fg4 s GLU 496 CO 0.59 -0.34 0.29 0.54 -1.84 0.00 0.00 175.26 174.50 3fg4 s VAL 497 N 1.90 0.04 0.43 1.83 0.11 -1.26 -5.13 120.40 118.32 3fg4 s VAL 497 Ca 0.53 -0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 3fg4 s VAL 497 Cb -0.22 -0.53 -0.12 0.00 -1.53 0.00 0.00 36.38 33.98 3fg4 s VAL 497 CO 0.22 -0.18 0.51 -2.65 -3.33 0.00 0.00 175.10 169.66 3fg4 n PRO 498 N 1.89 0.52 -0.26 1.54 -0.02 -1.26 -4.78 135.00 132.63 3fg4 n PRO 498 Ca -0.19 0.19 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3fg4 n PRO 498 Cb 0.57 -1.48 0.15 0.00 -0.02 0.00 0.00 33.50 32.71 3fg4 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg4 h ALA 499 N 0.72 1.05 -0.27 3.55 0.00 -2.00 -1.41 119.26 120.90 3fg4 h ALA 499 Ca -0.40 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3fg4 h ALA 499 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fg4 h ALA 499 CO 0.51 0.02 0.04 0.97 0.00 0.00 0.00 179.25 180.79 3fg4 h ILE 500 N 0.68 1.14 -0.22 0.00 6.09 -2.00 -2.29 117.51 120.91 3fg4 h ILE 500 Ca 0.37 -0.52 -0.07 0.00 -1.37 0.00 0.00 64.86 63.26 3fg4 h ILE 500 Cb 0.35 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3fg4 h ILE 500 CO -0.25 0.18 -0.15 1.62 -3.07 0.00 0.00 178.15 176.48 3fg4 h VAL 501 N 0.38 1.31 -0.56 2.19 3.04 -1.60 -2.08 116.25 118.93 3fg4 h VAL 501 Ca 0.09 -1.25 0.10 0.00 -1.01 0.00 0.00 66.70 64.63 3fg4 h VAL 501 Cb 0.19 1.64 -0.08 0.00 -2.01 0.00 0.00 31.29 31.04 3fg4 h VAL 501 CO -0.00 0.39 0.11 0.28 -1.01 0.00 0.00 177.57 177.34 3fg4 h SER 502 N 0.20 -0.00 0.65 3.17 0.02 -1.23 0.41 113.55 116.76 3fg4 h SER 502 Ca 0.05 0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 3fg4 h SER 502 Cb 0.66 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3fg4 h SER 502 CO 0.04 0.02 -0.71 -0.33 -1.14 0.00 0.00 176.83 174.70 3fg4 h GLU 503 N 0.25 0.05 -0.13 3.45 5.08 -1.38 0.12 114.58 122.01 3fg4 h GLU 503 Ca 0.29 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 3fg4 h GLU 503 Cb 0.41 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3fg4 h GLU 503 CO -0.37 0.74 -0.72 1.96 -1.00 0.00 0.00 179.01 179.61 3fg4 h GLN 504 N 0.03 0.62 -0.47 2.33 1.08 -0.54 0.16 115.11 118.32 3fg4 h GLN 504 Ca -0.01 -0.49 0.04 0.00 -1.45 0.00 0.00 58.65 56.74 3fg4 h GLN 504 Cb 1.26 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.75 3fg4 h GLN 504 CO 0.10 1.11 0.24 -0.09 -0.95 0.00 0.00 178.83 179.23 3fg4 h ARG 505 N 0.43 0.45 -0.32 1.46 2.43 0.30 0.48 114.38 119.62 3fg4 h ARG 505 Ca -0.03 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3fg4 h ARG 505 Cb 1.32 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3fg4 h ARG 505 CO 0.14 0.30 -0.31 1.96 -1.51 0.00 0.00 179.97 180.55 3fg4 h GLN 506 N 0.47 0.67 -0.31 0.20 4.20 -0.54 -1.99 115.11 117.82 3fg4 h GLN 506 Ca 0.20 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 3fg4 h GLN 506 Cb 0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3fg4 h GLN 506 CO -0.14 0.90 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.36 3fg4 h LYS 507 N 0.57 0.68 -0.37 1.46 1.63 0.25 -0.40 116.57 120.40 3fg4 h LYS 507 Ca 0.07 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 3fg4 h LYS 507 Cb 0.81 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.41 3fg4 h LYS 507 CO 0.07 0.92 0.19 1.49 -3.45 0.00 0.00 179.45 178.67 3fg4 h GLU 508 N 0.57 0.52 -0.21 1.90 4.81 0.17 -0.60 114.58 121.74 3fg4 h GLU 508 Ca 0.06 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3fg4 h GLU 508 Cb 0.84 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3fg4 h GLU 508 CO 0.07 0.44 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.58 3fg4 h LEU 509 N 0.46 0.34 -0.57 1.64 3.38 -1.16 0.19 115.31 119.60 3fg4 h LEU 509 Ca 0.13 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3fg4 h LEU 509 Cb 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fg4 h LEU 509 CO -0.02 0.50 0.04 -0.33 0.09 0.00 0.00 178.44 178.73 3fg4 h GLU 510 N 0.33 0.97 -0.09 1.13 5.08 -0.65 -2.91 114.58 118.45 3fg4 h GLU 510 Ca 0.06 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 3fg4 h GLU 510 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3fg4 h GLU 510 CO 0.03 0.95 -0.63 0.37 -1.00 0.00 0.00 179.01 178.73 3fg4 h GLN 511 N 0.86 0.33 -0.74 2.33 5.75 -0.24 -2.99 115.11 120.41 3fg4 h GLN 511 Ca 0.17 -0.23 0.12 0.00 -0.15 0.00 0.00 58.65 58.55 3fg4 h GLN 511 Cb 0.49 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.99 3fg4 h GLN 511 CO 0.02 0.85 0.33 0.00 -2.65 0.00 0.00 178.83 177.38 3fg4 h ARG 512 N 0.24 0.51 0.00 1.69 2.47 -0.50 -2.08 114.38 116.72 3fg4 h ARG 512 Ca -0.01 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3fg4 h ARG 512 Cb 1.16 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3fg4 h ARG 512 CO 0.10 0.34 -0.15 0.87 0.56 0.00 0.00 179.97 181.69 3fg4 h LYS 513 N 0.52 0.00 0.09 0.04 1.57 -1.36 0.54 116.57 117.97 3fg4 h LYS 513 Ca 0.39 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.89 3fg4 h LYS 513 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3fg4 h LYS 513 CO -0.34 0.15 -1.40 -0.07 -0.57 0.00 0.00 179.45 177.22 3fg4 h LEU 514 N 0.00 0.29 0.16 2.94 4.07 -1.45 -3.36 115.31 117.95 3fg4 h LEU 514 Ca -0.00 -0.38 -0.21 0.00 0.08 0.00 0.00 57.88 57.37 3fg4 h LEU 514 Cb 0.48 -0.09 0.02 0.00 1.08 0.00 0.00 40.66 42.15 3fg4 h LEU 514 CO 0.02 1.31 -0.94 0.74 -1.08 0.00 0.00 178.44 178.49 3fg4 h THR 515 N 0.05 1.46 -3.45 0.22 2.02 -0.85 -3.42 112.91 108.94 3fg4 h THR 515 Ca -0.19 -2.56 -0.75 0.00 0.77 0.00 0.00 66.41 63.68 3fg4 h THR 515 Cb 1.96 3.17 -0.28 0.00 -1.74 0.00 0.00 68.15 71.26 3fg4 h THR 515 CO 0.16 0.73 -0.19 -0.31 0.37 0.00 0.00 175.52 176.28 3fg4 s TYR 516 N -2.46 3.49 0.08 3.16 1.51 0.18 -4.95 117.35 118.36 3fg4 s TYR 516 Ca -0.13 -1.89 0.06 0.00 -1.01 0.00 0.00 57.07 54.10 3fg4 s TYR 516 Cb 0.01 -3.63 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 3fg4 s TYR 516 CO 0.85 -0.98 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.56 3fg4 s GLN 517 N 0.83 2.22 0.50 -0.62 -0.21 -1.26 -4.67 119.66 116.45 3fg4 s GLN 517 Ca 0.11 -0.96 -0.22 0.00 0.02 0.00 0.00 55.36 54.30 3fg4 s GLN 517 Cb -0.21 -2.34 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 3fg4 s GLN 517 CO -0.03 0.53 1.27 -1.58 -2.12 0.00 0.00 175.29 173.36 3fg4 s TRP 518 N -1.15 2.57 0.21 0.91 0.52 -1.26 -0.31 118.94 120.44 3fg4 s TRP 518 Ca 0.20 1.45 -0.17 0.00 0.02 0.00 0.00 56.10 57.60 3fg4 s TRP 518 Cb -0.11 -3.61 0.02 0.00 -1.15 0.00 0.00 33.47 28.62 3fg4 s TRP 518 CO 0.12 -2.24 0.53 0.34 0.02 0.00 0.00 176.95 175.72 3fg4 s ASP 519 N -1.12 -0.22 -0.13 2.95 2.15 0.94 -4.46 116.67 116.78 3fg4 s ASP 519 Ca 0.67 -0.59 -0.07 0.00 0.43 0.00 0.00 52.55 52.99 3fg4 s ASP 519 Cb -0.35 0.59 0.05 0.00 -0.30 0.00 0.00 42.92 42.91 3fg4 s ASP 519 CO 0.42 -1.10 0.31 -0.31 -0.17 0.00 0.00 175.17 174.32 3fg4 s TYR 520 N -3.91 -0.41 0.17 -5.34 1.51 -1.26 0.04 117.35 108.15 3fg4 s TYR 520 Ca 0.12 0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 57.08 3fg4 s TYR 520 Cb -0.01 0.13 0.05 0.00 -0.11 0.00 0.00 41.96 42.01 3fg4 s TYR 520 CO 0.01 -0.25 1.45 0.28 -1.11 0.00 0.00 175.55 175.92 3fg4 h VAL 521 N 5.55 1.33 -2.21 0.71 2.07 -1.86 -3.48 116.25 118.36 3fg4 h VAL 521 Ca -0.37 -1.93 0.05 0.00 0.82 0.00 0.00 66.70 65.28 3fg4 h VAL 521 Cb 1.17 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3fg4 h VAL 521 CO 0.34 0.60 0.25 -1.54 0.02 0.00 0.00 177.57 177.24 3fg4 n SER 522 N -3.92 -0.97 0.14 0.57 3.41 -1.26 -5.02 113.62 106.57 3fg4 n SER 522 Ca -0.04 -1.57 0.13 0.00 -0.26 0.00 0.00 58.87 57.13 3fg4 n SER 522 Cb 0.66 1.59 0.39 0.00 -0.26 0.00 0.00 64.21 66.60 3fg4 n SER 522 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fg4 h ASP 523 N 1.00 0.00 -0.41 4.04 3.32 -2.01 -3.14 116.42 119.22 3fg4 h ASP 523 Ca -0.15 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 3fg4 h ASP 523 Cb 0.62 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 3fg4 h ASP 523 CO 0.20 0.00 0.05 0.47 -1.72 0.00 0.00 179.24 178.23 3fg4 n ASP 524 N -2.45 4.12 -4.26 6.45 8.00 -1.26 -4.76 116.55 122.38 3fg4 n ASP 524 Ca 0.04 -3.16 -0.26 0.00 0.71 0.00 0.00 54.79 52.12 3fg4 n ASP 524 Cb 0.41 -0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 40.75 3fg4 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg4 s MET 525 N -2.92 1.40 0.72 -1.24 -1.94 -1.19 -4.37 119.30 109.77 3fg4 s MET 525 Ca 0.47 -0.98 -0.16 0.00 -1.71 0.00 0.00 55.69 53.31 3fg4 s MET 525 Cb 0.38 -1.54 0.03 0.00 2.01 0.00 0.00 34.83 35.72 3fg4 s MET 525 CO 0.09 0.39 1.24 -1.25 -0.01 0.00 0.00 175.02 175.48 3fg4 s PRO 526 N -1.25 2.13 0.30 2.03 0.04 -1.26 -4.77 135.00 132.22 3fg4 s PRO 526 Ca 0.08 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3fg4 s PRO 526 Cb -0.09 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3fg4 s PRO 526 CO 0.02 -1.87 1.54 0.41 0.04 0.00 0.00 177.00 177.14 3fg4 n GLY 527 N 0.61 1.21 3.53 0.56 0.00 0.13 -4.69 105.19 106.54 3fg4 n GLY 527 Ca 0.14 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 3fg4 n GLY 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg4 s ASN 528 N 0.34 3.08 0.23 1.61 4.22 0.11 -3.63 114.94 120.91 3fg4 s ASN 528 Ca 0.63 -1.36 -0.30 0.00 -2.14 0.00 0.00 52.86 49.68 3fg4 s ASN 528 Cb -0.52 -0.23 -0.09 0.00 1.28 0.00 0.00 41.25 41.69 3fg4 s ASN 528 CO 0.51 -0.52 1.18 -0.51 -2.04 0.00 0.00 177.10 175.73 3fg4 s ILE 529 N -3.01 3.44 -0.13 0.54 2.07 -1.26 -0.04 121.20 122.81 3fg4 s ILE 529 Ca 0.36 1.30 -0.29 0.00 -1.41 0.00 0.00 60.65 60.60 3fg4 s ILE 529 Cb 0.09 -3.83 -0.02 0.00 0.13 0.00 0.00 42.46 38.83 3fg4 s ILE 529 CO 0.17 0.25 1.20 -0.75 -1.91 0.00 0.00 174.94 173.90 3fg4 s LYS 530 N -0.75 4.29 -0.30 3.50 2.20 0.58 -4.71 119.74 124.55 3fg4 s LYS 530 Ca 0.50 1.62 -0.16 0.00 -0.36 0.00 0.00 55.97 57.57 3fg4 s LYS 530 Cb -0.33 -3.67 0.18 0.00 -1.51 0.00 0.00 37.83 32.50 3fg4 s LYS 530 CO 0.40 -0.58 1.11 0.00 -0.36 0.00 0.00 175.35 175.91 3fg4 s ALA 531 N 2.93 -3.08 0.11 3.13 0.00 -1.26 -4.77 121.76 118.82 3fg4 s ALA 531 Ca 0.54 1.82 -0.30 0.00 0.00 0.00 0.00 51.96 54.02 3fg4 s ALA 531 Cb -0.22 -2.24 -0.10 0.00 0.00 0.00 0.00 23.12 20.56 3fg4 s ALA 531 CO 0.16 -1.07 1.61 0.87 0.00 0.00 0.00 175.76 177.33 3fg4 h LYS 532 N 7.46 -0.59 -4.96 0.00 1.57 -1.93 -3.46 116.57 114.66 3fg4 h LYS 532 Ca -0.14 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 58.19 3fg4 h LYS 532 Cb 1.13 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 3fg4 h LYS 532 CO 0.03 -0.40 -0.53 0.95 -0.57 0.00 0.00 179.45 178.94 3fg4 s THR 533 N -6.00 0.39 0.21 -0.16 -4.23 -1.26 -4.84 115.64 99.76 3fg4 s THR 533 Ca -0.16 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 3fg4 s THR 533 Cb 0.07 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 71.62 3fg4 s THR 533 CO 0.64 0.00 1.81 -0.74 -0.54 0.00 0.00 174.62 175.79 3fg4 h HIS 534 N 2.01 1.08 0.00 3.99 2.76 -1.90 -2.38 115.15 120.72 3fg4 h HIS 534 Ca -0.33 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3fg4 h HIS 534 Cb 1.26 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.88 3fg4 h HIS 534 CO 1.36 0.78 0.00 -0.44 -1.30 0.00 0.00 177.93 178.33 3fg4 h ASP 535 N 1.07 0.00 0.80 3.26 3.45 -1.99 -1.63 116.42 121.38 3fg4 h ASP 535 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3fg4 h ASP 535 Cb 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3fg4 h ASP 535 CO -0.04 0.00 0.00 -0.78 -1.57 0.00 0.00 179.24 176.85 3fg4 h ASP 536 N 0.00 0.00 -4.12 6.45 1.82 -1.83 -3.46 116.42 115.28 3fg4 h ASP 536 Ca 0.00 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.17 3fg4 h ASP 536 Cb 0.55 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.58 3fg4 h ASP 536 CO 0.00 0.00 0.37 -0.76 -1.61 0.00 0.00 179.24 177.24 3fg4 s LEU 537 N -5.11 3.75 0.28 2.28 1.43 -0.61 -4.94 118.68 115.76 3fg4 s LEU 537 Ca 0.03 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.59 3fg4 s LEU 537 Cb 0.09 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 3fg4 s LEU 537 CO 0.44 -0.69 1.24 -2.65 0.23 0.00 0.00 176.35 174.92 3fg4 n PRO 538 N -1.24 1.81 -0.23 1.29 -0.02 -1.26 -4.82 135.00 130.54 3fg4 n PRO 538 Ca 0.08 0.64 0.19 0.00 -2.02 0.00 0.00 63.50 62.38 3fg4 n PRO 538 Cb 0.53 -2.18 0.52 0.00 -0.02 0.00 0.00 33.50 32.35 3fg4 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg4 h ARG 539 N 2.95 0.38 -0.02 -0.52 2.43 -1.94 -0.29 114.38 117.38 3fg4 h ARG 539 Ca -0.44 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3fg4 h ARG 539 Cb 1.30 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3fg4 h ARG 539 CO 0.66 0.25 0.17 -0.44 -1.51 0.00 0.00 179.97 179.10 3fg4 h ASP 540 N 0.39 0.00 0.00 -3.80 3.32 -1.93 -2.73 116.42 111.67 3fg4 h ASP 540 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3fg4 h ASP 540 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3fg4 h ASP 540 CO -0.16 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.69 3fg4 n VAL 541 N -3.09 0.61 -1.74 -1.35 0.24 -0.14 -4.98 118.33 107.87 3fg4 n VAL 541 Ca -0.02 -0.71 -0.32 0.00 -2.04 0.00 0.00 64.34 61.25 3fg4 n VAL 541 Cb 0.23 0.74 0.04 0.00 -1.47 0.00 0.00 33.84 33.38 3fg4 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg4 s GLN 542 N -0.61 3.02 0.42 7.34 -0.21 -1.03 -3.36 119.66 125.23 3fg4 s GLN 542 Ca 0.00 1.11 -0.25 0.00 0.02 0.00 0.00 55.36 56.24 3fg4 s GLN 542 Cb 0.00 -2.00 -0.10 0.00 1.00 0.00 0.00 33.01 31.91 3fg4 s GLN 542 CO 0.00 -1.05 1.10 1.19 -2.12 0.00 0.00 175.29 174.42 3fg4 n PHE 543 N -2.68 1.51 -0.77 0.91 3.72 -1.26 -4.86 117.46 114.03 3fg4 n PHE 543 Ca 0.08 0.54 -0.33 0.00 -0.05 0.00 0.00 57.45 57.70 3fg4 n PHE 543 Cb 0.53 -2.28 0.13 0.00 -0.94 0.00 0.00 39.48 36.92 3fg4 n PHE 543 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fg4 n THR 544 N -0.42 0.00 -0.09 4.37 -2.24 -1.26 -4.77 114.28 109.87 3fg4 n THR 544 Ca 0.09 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 3fg4 n THR 544 Cb 0.39 -0.68 0.23 0.00 -2.10 0.00 0.00 70.33 68.18 3fg4 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fg4 h ASP 545 N -1.65 0.68 -0.68 3.42 5.19 -1.94 -1.16 116.42 120.28 3fg4 h ASP 545 Ca -0.44 -0.12 0.07 0.00 -0.62 0.00 0.00 57.03 55.92 3fg4 h ASP 545 Cb 1.28 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 3fg4 h ASP 545 CO 0.36 0.68 0.37 -0.33 -3.12 0.00 0.00 179.24 177.20 3fg4 h GLU 546 N 0.71 0.65 -0.26 3.56 3.07 -1.92 -1.23 114.58 119.17 3fg4 h GLU 546 Ca 0.16 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 3fg4 h GLU 546 Cb 0.28 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3fg4 h GLU 546 CO -0.00 0.43 -0.38 0.87 -1.40 0.00 0.00 179.01 178.53 3fg4 h LYS 547 N 0.67 0.60 -0.50 2.33 1.57 -1.73 0.71 116.57 120.23 3fg4 h LYS 547 Ca 0.31 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3fg4 h LYS 547 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3fg4 h LYS 547 CO -0.20 0.88 -0.12 0.77 -0.57 0.00 0.00 179.45 180.21 3fg4 h SER 548 N 0.50 0.93 0.07 0.86 0.02 -1.04 -0.26 113.55 114.63 3fg4 h SER 548 Ca 0.05 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3fg4 h SER 548 Cb 0.88 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3fg4 h SER 548 CO 0.08 1.06 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.70 3fg4 h ARG 549 N 0.83 -0.09 -0.75 3.45 2.43 -0.94 0.11 114.38 119.42 3fg4 h ARG 549 Ca 0.13 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.48 3fg4 h ARG 549 Cb 0.66 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 3fg4 h ARG 549 CO 0.05 0.26 0.10 1.03 -1.51 0.00 0.00 179.97 179.90 3fg4 h SER 550 N -0.44 -0.15 0.12 -3.80 0.87 -0.72 0.29 113.55 109.71 3fg4 h SER 550 Ca -0.01 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3fg4 h SER 550 Cb 0.38 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3fg4 h SER 550 CO 0.02 -0.11 -0.06 0.22 -0.53 0.00 0.00 176.83 176.37 3fg4 h TYR 551 N 0.18 -0.15 -0.61 2.24 3.20 -0.86 -1.97 116.97 119.00 3fg4 h TYR 551 Ca 0.42 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 3fg4 h TYR 551 Cb 0.75 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3fg4 h TYR 551 CO -0.33 0.32 0.35 1.96 -1.64 0.00 0.00 178.16 178.81 3fg4 h GLN 552 N -0.71 0.85 -0.99 1.82 1.08 -0.12 -1.55 115.11 115.49 3fg4 h GLN 552 Ca -0.02 -0.09 0.12 0.00 -1.45 0.00 0.00 58.65 57.21 3fg4 h GLN 552 Cb 0.53 -0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 27.71 3fg4 h GLN 552 CO 0.03 0.63 0.62 0.93 -0.95 0.00 0.00 178.83 180.09 3fg4 h GLU 553 N 0.83 0.93 -0.34 1.46 4.39 -0.51 -0.68 114.58 120.67 3fg4 h GLU 553 Ca 0.22 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 3fg4 h GLU 553 Cb 0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3fg4 h GLU 553 CO -0.04 0.61 -0.23 0.66 -1.16 0.00 0.00 179.01 178.86 3fg4 h SER 554 N 0.96 0.78 -0.90 1.42 4.64 -0.60 0.28 113.55 120.13 3fg4 h SER 554 Ca 0.49 -0.44 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3fg4 h SER 554 Cb 0.52 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 3fg4 h SER 554 CO -0.26 1.05 0.57 0.03 -0.87 0.00 0.00 176.83 177.35 3fg4 h ARG 555 N 0.52 1.00 -0.26 4.77 2.47 -0.94 0.11 114.38 122.06 3fg4 h ARG 555 Ca 0.07 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 3fg4 h ARG 555 Cb 0.79 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3fg4 h ARG 555 CO 0.06 0.66 -0.10 0.87 0.56 0.00 0.00 179.97 182.03 3fg4 h LYS 556 N 1.03 0.52 -0.58 0.04 1.57 -0.40 -2.13 116.57 116.62 3fg4 h LYS 556 Ca 0.39 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3fg4 h LYS 556 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3fg4 h LYS 556 CO -0.17 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.48 3fg4 h ALA 557 N 0.74 0.78 -0.41 3.86 0.00 -0.20 -1.64 119.26 122.40 3fg4 h ALA 557 Ca 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3fg4 h ALA 557 Cb 0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3fg4 h ALA 557 CO 0.03 0.61 0.11 0.00 0.00 0.00 0.00 179.25 180.00 3fg4 h ALA 558 N 0.98 0.47 -0.67 0.00 0.00 -0.75 0.73 119.26 120.02 3fg4 h ALA 558 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fg4 h ALA 558 Cb 0.54 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3fg4 h ALA 558 CO 0.03 -0.29 0.43 -0.07 0.00 0.00 0.00 179.25 179.35 3fg4 h LEU 559 N 0.25 0.72 -0.19 0.00 3.38 -1.02 -0.76 115.31 117.69 3fg4 h LEU 559 Ca 0.20 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3fg4 h LEU 559 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3fg4 h LEU 559 CO -0.23 0.51 -0.04 0.58 0.09 0.00 0.00 178.44 179.35 3fg4 h VAL 560 N 0.86 1.28 -0.92 1.22 2.07 -0.69 -0.81 116.25 119.25 3fg4 h VAL 560 Ca 0.26 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3fg4 h VAL 560 Cb -0.04 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3fg4 h VAL 560 CO -0.08 0.30 0.61 0.78 0.02 0.00 0.00 177.57 179.19 3fg4 h ASN 561 N 0.09 1.00 -0.54 0.57 2.35 -0.76 0.20 115.58 118.47 3fg4 h ASN 561 Ca 0.05 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3fg4 h ASN 561 Cb 0.47 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3fg4 h ASN 561 CO 0.02 0.68 0.11 -0.07 -1.65 0.00 0.00 177.43 176.52 3fg4 h LEU 562 N 1.15 0.84 -0.32 1.61 3.38 -0.94 0.17 115.31 121.20 3fg4 h LEU 562 Ca 0.37 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 3fg4 h LEU 562 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3fg4 h LEU 562 CO -0.11 0.87 -0.69 1.23 0.09 0.00 0.00 178.44 179.83 3fg4 h GLY 563 N 0.78 0.71 1.03 0.83 0.00 -0.81 0.17 103.07 105.78 3fg4 h GLY 563 Ca 0.17 -0.94 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 3fg4 h GLY 563 CO 0.01 0.84 -0.01 -2.22 0.00 0.00 0.00 176.54 175.16 3fg4 h ILE 564 N 0.46 1.26 -0.07 2.60 2.04 -0.47 -2.22 117.51 121.11 3fg4 h ILE 564 Ca -0.03 -1.11 -0.15 0.00 1.00 0.00 0.00 64.86 64.58 3fg4 h ILE 564 Cb 1.29 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3fg4 h ILE 564 CO 0.13 0.39 -0.60 1.23 0.00 0.00 0.00 178.15 179.31 3fg4 h GLY 565 N 0.81 0.28 0.92 5.37 0.00 -0.89 -0.51 103.07 109.05 3fg4 h GLY 565 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3fg4 h GLY 565 CO 0.03 0.31 0.09 0.23 0.00 0.00 0.00 176.54 177.19 3fg4 h SER 566 N 0.19 0.22 -0.31 0.19 0.87 -0.57 -1.07 113.55 113.08 3fg4 h SER 566 Ca -0.01 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3fg4 h SER 566 Cb 1.11 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 3fg4 h SER 566 CO 0.09 0.27 0.12 -0.07 -0.53 0.00 0.00 176.83 176.71 3fg4 h LEU 567 N 0.16 0.15 -0.73 2.23 3.38 -1.27 -1.61 115.31 117.62 3fg4 h LEU 567 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fg4 h LEU 567 Cb 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3fg4 h LEU 567 CO -0.01 0.12 0.43 0.15 0.09 0.00 0.00 178.44 179.23 3fg4 h PHE 568 N 0.26 0.97 -0.54 1.13 3.04 -0.90 -3.17 116.94 117.73 3fg4 h PHE 568 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3fg4 h PHE 568 Cb 0.09 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.28 3fg4 h PHE 568 CO -0.13 0.66 0.00 0.25 -2.02 0.00 0.00 178.31 177.07 3fg4 n THR 569 N -4.51 0.79 -0.30 4.41 -2.24 -0.42 -4.75 114.28 107.25 3fg4 n THR 569 Ca 0.07 -0.89 0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3fg4 n THR 569 Cb 0.06 0.70 0.29 0.00 -2.10 0.00 0.00 70.33 69.29 3fg4 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg4 h MET 570 N 4.00 0.37 -0.30 -0.78 4.05 -1.26 -2.40 114.93 118.61 3fg4 h MET 570 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3fg4 h MET 570 Cb 0.94 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3fg4 h MET 570 CO 0.00 0.24 0.00 1.19 0.23 0.00 0.00 176.91 178.57 3fg4 n PHE 571 N -5.07 0.80 -2.59 1.39 3.01 -1.26 -4.99 117.46 108.76 3fg4 n PHE 571 Ca 0.21 -0.74 -0.41 0.00 1.01 0.00 0.00 57.45 57.52 3fg4 n PHE 571 Cb 0.64 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 3fg4 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg4 s GLU 572 N -2.18 4.60 -0.16 -1.08 2.02 -0.91 -5.03 118.70 115.97 3fg4 s GLU 572 Ca 0.36 1.61 -0.18 0.00 0.02 0.00 0.00 54.97 56.79 3fg4 s GLU 572 Cb 0.26 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3fg4 s GLU 572 CO 0.11 0.06 0.46 0.54 0.02 0.00 0.00 175.26 176.46 3fg4 s ASN 573 N 0.19 6.59 -0.04 -0.19 6.03 -1.26 -5.06 114.94 121.20 3fg4 s ASN 573 Ca 0.50 0.70 -0.25 0.00 -1.03 0.00 0.00 52.86 52.78 3fg4 s ASN 573 Cb -0.27 -2.27 -0.04 0.00 -3.03 0.00 0.00 41.25 35.64 3fg4 s ASN 573 CO 0.32 -0.06 0.76 0.26 -2.03 0.00 0.00 177.10 176.35 3fg4 s TRP 574 N 1.04 3.61 -0.02 1.54 0.52 -1.26 -4.93 118.94 119.44 3fg4 s TRP 574 Ca 0.24 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.75 3fg4 s TRP 574 Cb -0.15 -2.87 0.05 0.00 -1.15 0.00 0.00 33.47 29.35 3fg4 s TRP 574 CO 0.09 0.09 0.85 -0.40 0.02 0.00 0.00 176.95 177.61 3fg4 n ASP 575 N 3.69 0.85 -3.59 2.95 5.68 -1.26 -5.04 116.55 119.83 3fg4 n ASP 575 Ca 0.00 -1.84 -0.11 0.00 -0.50 0.00 0.00 54.79 52.34 3fg4 n ASP 575 Cb 0.51 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 3fg4 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg4 s SER 576 N -0.98 -0.31 0.21 -1.12 1.04 -1.26 -4.99 113.70 106.29 3fg4 s SER 576 Ca 0.05 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 3fg4 s SER 576 Cb 0.05 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.80 3fg4 s SER 576 CO 0.01 -0.85 1.72 1.88 0.98 0.00 0.00 173.24 176.98 3fg4 h TYR 577 N 2.36 1.18 0.00 5.02 0.99 -1.98 -2.62 116.97 121.92 3fg4 h TYR 577 Ca -0.34 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3fg4 h TYR 577 Cb 1.26 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 38.66 3fg4 h TYR 577 CO 0.32 0.96 0.00 -0.25 -0.00 0.00 0.00 178.16 179.18 3fg4 n ASP 578 N -4.23 0.55 0.23 3.88 8.00 -1.26 -1.62 116.55 122.10 3fg4 n ASP 578 Ca 0.05 0.76 0.10 0.00 0.71 0.00 0.00 54.79 56.41 3fg4 n ASP 578 Cb 0.26 -0.83 0.67 0.00 -0.02 0.00 0.00 41.12 41.21 3fg4 n ASP 578 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fg4 h ASP 579 N 0.00 0.00 0.89 -2.24 3.45 -1.88 -2.27 116.42 114.38 3fg4 h ASP 579 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fg4 h ASP 579 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3fg4 h ASP 579 CO 0.00 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.45 3fg4 n TYR 580 N -4.45 0.43 0.27 4.55 4.01 -0.64 -2.92 117.16 118.42 3fg4 n TYR 580 Ca -0.01 0.15 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 3fg4 n TYR 580 Cb 0.16 -0.74 0.76 0.00 -0.31 0.00 0.00 39.34 39.20 3fg4 n TYR 580 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3fg4 h HIS 581 N 0.00 0.00 0.00 -0.72 3.86 -1.59 -2.72 115.15 113.98 3fg4 h HIS 581 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3fg4 h HIS 581 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 3fg4 h HIS 581 CO 0.00 0.08 -0.16 0.97 0.86 0.00 0.00 177.93 179.68 3fg4 h ILE 582 N 0.00 0.42 0.00 2.45 2.10 -1.74 -3.10 117.51 117.64 3fg4 h ILE 582 Ca -0.00 -0.93 0.00 0.00 1.08 0.00 0.00 64.86 65.01 3fg4 h ILE 582 Cb 0.19 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 3fg4 h ILE 582 CO 0.01 0.16 0.00 -0.07 -1.08 0.00 0.00 178.15 177.17 3fg4 h LEU 583 N 0.00 0.00 -1.38 2.19 3.38 -1.72 -2.62 115.31 115.17 3fg4 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg4 h LEU 583 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fg4 h LEU 583 CO 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.45 3fg4 n TYR 584 N -2.66 0.00 0.07 1.13 0.18 -1.17 -4.69 117.16 110.02 3fg4 n TYR 584 Ca 0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.67 3fg4 n TYR 584 Cb 0.32 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.20 3fg4 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg4 h ARG 585 N 2.68 -0.15 -0.99 -3.48 2.43 -1.54 -2.79 114.38 110.54 3fg4 h ARG 585 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3fg4 h ARG 585 Cb 0.62 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3fg4 h ARG 585 CO 0.00 0.07 0.02 0.27 -1.51 0.00 0.00 179.97 178.82 3fg4 n ASN 586 N -5.07 2.14 -4.42 -3.80 6.94 -1.26 -4.85 115.26 104.95 3fg4 n ASN 586 Ca -0.08 -2.07 -0.32 0.00 -0.02 0.00 0.00 54.58 52.09 3fg4 n ASN 586 Cb 0.16 -0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 36.93 3fg4 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg4 s TRP 587 N -0.65 2.56 -0.64 -2.53 0.52 -1.06 -4.92 118.94 112.23 3fg4 s TRP 587 Ca 0.03 -0.26 -0.28 0.00 0.02 0.00 0.00 56.10 55.61 3fg4 s TRP 587 Cb 0.02 -1.57 0.03 0.00 -1.15 0.00 0.00 33.47 30.81 3fg4 s TRP 587 CO 0.01 0.12 1.24 0.42 0.02 0.00 0.00 176.95 178.76 3fg4 s ILE 588 N -0.71 3.89 -0.69 2.03 -1.09 -1.26 -4.91 121.20 118.45 3fg4 s ILE 588 Ca 0.11 0.71 0.06 0.00 -2.23 0.00 0.00 60.65 59.30 3fg4 s ILE 588 Cb -0.10 -4.78 0.04 0.00 -1.58 0.00 0.00 42.46 36.04 3fg4 s ILE 588 CO 0.00 -1.52 0.65 0.18 -1.23 0.00 0.00 174.94 173.02 3fg4 n LEU 589 N 8.87 1.38 -4.71 2.97 4.77 -1.26 -5.00 117.00 124.02 3fg4 n LEU 589 Ca 0.07 -0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 54.71 3fg4 n LEU 589 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3fg4 n LEU 589 CO 0.71 0.29 0.20 -0.83 -1.33 0.00 0.00 177.39 176.44 3fg4 s GLY 590 N -0.58 2.34 0.00 -0.72 0.00 -1.26 -4.96 107.32 102.14 3fg4 s GLY 590 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.57 3fg4 s GLY 590 CO 0.09 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.67 3fg4 n GLY 591 N 3.39 3.61 3.60 0.20 0.00 -1.26 -5.05 105.19 109.69 3fg4 n GLY 591 Ca -0.06 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 3fg4 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg4 n THR 592 N 0.00 1.54 -1.65 2.61 -1.04 -1.26 -4.87 114.28 109.61 3fg4 n THR 592 Ca 0.00 -0.39 -0.47 0.00 -2.04 0.00 0.00 64.05 61.15 3fg4 n THR 592 Cb 0.00 -1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 67.41 3fg4 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg4 n PRO 593 N 1.18 1.94 0.00 -2.82 -0.02 -1.26 -4.82 135.00 129.20 3fg4 n PRO 593 Ca 0.11 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.38 3fg4 n PRO 593 Cb 0.30 -2.45 0.49 0.00 -0.02 0.00 0.00 33.50 31.83 3fg4 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg4 n ASN 594 N 3.39 0.00 -0.17 2.55 2.04 -1.26 -1.83 115.26 119.97 3fg4 n ASN 594 Ca 0.18 -0.28 0.10 0.00 -0.44 0.00 0.00 54.58 54.14 3fg4 n ASN 594 Cb 0.27 -0.14 -0.08 0.00 -2.53 0.00 0.00 39.78 37.30 3fg4 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg4 n MET 595 N -1.14 0.64 -0.24 -3.83 2.81 -1.26 -4.61 117.12 109.50 3fg4 n MET 595 Ca 0.11 -0.35 0.15 0.00 -1.81 0.00 0.00 57.70 55.81 3fg4 n MET 595 Cb 0.10 -1.46 0.46 0.00 -0.71 0.00 0.00 33.22 31.61 3fg4 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg4 h ALA 596 N 3.18 2.03 -0.01 3.04 0.00 -1.66 0.16 119.26 126.00 3fg4 h ALA 596 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fg4 h ALA 596 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fg4 h ALA 596 CO 0.00 -0.28 -0.15 -0.40 0.00 0.00 0.00 179.25 178.42 3fg4 n ASP 597 N -4.53 0.92 0.00 0.00 3.85 -1.26 -4.45 116.55 111.08 3fg4 n ASP 597 Ca 0.17 -0.93 0.00 0.00 -0.71 0.00 0.00 54.79 53.32 3fg4 n ASP 597 Cb 0.57 0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 3fg4 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg4 n ARG 598 N -0.58 0.00 -0.33 0.11 1.85 -0.33 -4.87 116.66 112.51 3fg4 n ARG 598 Ca 0.15 -0.05 0.35 0.00 -1.00 0.00 0.00 57.85 57.30 3fg4 n ARG 598 Cb 0.32 -0.36 0.73 0.00 -1.05 0.00 0.00 32.46 32.10 3fg4 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg4 h TRP 599 N 0.00 0.06 -0.00 2.89 5.08 -0.96 -1.96 115.95 121.05 3fg4 h TRP 599 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fg4 h TRP 599 Cb 0.57 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 3fg4 h TRP 599 CO 0.00 0.00 -0.43 -2.39 -1.28 0.00 0.00 178.44 174.34 3fg4 n HIS 600 N -4.22 0.00 -2.85 0.12 1.44 -1.26 -4.47 115.22 103.98 3fg4 n HIS 600 Ca 0.26 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.56 3fg4 n HIS 600 Cb 1.24 -0.19 -0.04 0.00 0.12 0.00 0.00 29.99 31.12 3fg4 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fg4 s GLU 601 N -2.81 4.52 0.24 -1.40 2.02 -0.74 -4.97 118.70 115.56 3fg4 s GLU 601 Ca 0.16 1.20 -0.06 0.00 0.02 0.00 0.00 54.97 56.29 3fg4 s GLU 601 Cb 0.18 -3.45 0.44 0.00 0.10 0.00 0.00 34.13 31.40 3fg4 s GLU 601 CO 0.64 0.02 1.69 -0.44 0.02 0.00 0.00 175.26 177.19 3fg4 h ASP 602 N 6.68 0.03 -0.87 -0.19 3.32 -1.87 0.15 116.42 123.67 3fg4 h ASP 602 Ca -0.41 0.14 0.07 0.00 0.02 0.00 0.00 57.03 56.85 3fg4 h ASP 602 Cb 1.21 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.88 3fg4 h ASP 602 CO 0.75 -0.02 0.54 -0.09 -1.72 0.00 0.00 179.24 178.70 3fg4 h ARG 603 N 0.28 0.93 0.00 3.56 2.43 -1.93 0.16 114.38 119.81 3fg4 h ARG 603 Ca 0.40 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.28 3fg4 h ARG 603 Cb 0.67 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3fg4 h ARG 603 CO -0.49 0.62 -1.35 -1.49 -1.51 0.00 0.00 179.97 175.75 3fg4 h TRP 604 N 0.96 0.00 -0.30 2.20 4.06 -1.60 -0.73 115.95 120.53 3fg4 h TRP 604 Ca 0.39 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.39 3fg4 h TRP 604 Cb 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 3fg4 h TRP 604 CO -0.03 0.91 -0.00 0.35 -3.56 0.00 0.00 178.44 176.11 3fg4 h PHE 605 N 0.00 -0.02 -0.36 0.49 3.57 -0.56 -3.10 116.94 116.96 3fg4 h PHE 605 Ca -0.16 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.24 3fg4 h PHE 605 Cb 1.84 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 3fg4 h PHE 605 CO 0.00 -0.06 -0.28 0.78 -2.23 0.00 0.00 178.31 176.53 3fg4 h GLY 606 N 0.08 0.80 0.93 2.40 0.00 -0.59 -3.03 103.07 103.67 3fg4 h GLY 606 Ca 0.14 -0.72 0.11 0.00 0.00 0.00 0.00 47.33 46.86 3fg4 h GLY 606 CO -0.25 0.65 0.44 -1.82 0.00 0.00 0.00 176.54 175.57 3fg4 h TYR 607 N 0.64 0.51 0.00 5.60 3.20 -1.10 -1.95 116.97 123.86 3fg4 h TYR 607 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3fg4 h TYR 607 Cb 0.79 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3fg4 h TYR 607 CO 0.04 0.23 0.00 1.04 -1.64 0.00 0.00 178.16 177.83 3fg4 n GLN 608 N -4.48 0.15 0.11 1.82 6.02 -1.14 -1.66 117.38 118.20 3fg4 n GLN 608 Ca 0.11 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 3fg4 n GLN 608 Cb 0.40 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.62 3fg4 n GLN 608 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fg4 n PHE 609 N -1.42 0.72 -0.09 1.08 3.01 -0.73 -0.95 117.46 119.09 3fg4 n PHE 609 Ca 0.09 0.27 -0.15 0.00 1.01 0.00 0.00 57.45 58.67 3fg4 n PHE 609 Cb 0.29 -0.94 -0.07 0.00 -0.01 0.00 0.00 39.48 38.75 3fg4 n PHE 609 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3fg4 n LEU 610 N -2.15 2.05 -0.15 4.37 4.77 -0.70 -4.47 117.00 120.73 3fg4 n LEU 610 Ca 0.03 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3fg4 n LEU 610 Cb 0.25 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 3fg4 n LEU 610 CO 0.21 0.56 0.53 0.59 -1.33 0.00 0.00 177.39 177.95 3fg4 n ASN 611 N -3.41 2.23 -1.43 -1.43 3.02 -0.66 -4.31 115.26 109.26 3fg4 n ASN 611 Ca -0.32 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 3fg4 n ASN 611 Cb 0.78 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 3fg4 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg4 n GLY 612 N -0.32 1.14 0.14 7.41 0.00 -0.12 -4.94 105.19 108.50 3fg4 n GLY 612 Ca 0.03 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.42 3fg4 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 613 N -1.48 0.86 -1.78 4.61 0.00 -1.82 -3.37 119.26 116.28 3fg4 h ALA 613 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3fg4 h ALA 613 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 3fg4 h ALA 613 CO 0.00 0.00 -0.78 -1.71 0.00 0.00 0.00 179.25 176.76 3fg4 n ASN 614 N -2.63 4.05 -1.32 0.00 4.05 -1.26 -4.38 115.26 113.77 3fg4 n ASN 614 Ca 0.04 -3.56 -0.00 0.00 0.45 0.00 0.00 54.58 51.50 3fg4 n ASN 614 Cb 0.49 -0.51 0.00 0.00 1.23 0.00 0.00 39.78 40.99 3fg4 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg4 n PRO 615 N -0.30 1.01 0.00 1.20 -0.04 -1.26 -4.03 135.00 131.58 3fg4 n PRO 615 Ca 0.32 -0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 3fg4 n PRO 615 Cb 0.58 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 33.02 3fg4 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg4 n VAL 616 N 1.11 0.00 -0.07 0.52 0.24 -1.26 -4.78 118.33 114.09 3fg4 n VAL 616 Ca 0.00 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 3fg4 n VAL 616 Cb 0.50 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.80 3fg4 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg4 n ILE 617 N -0.71 0.95 -1.59 1.34 3.06 -1.26 -4.97 119.36 116.19 3fg4 n ILE 617 Ca 0.01 -0.51 -0.53 0.00 -2.50 0.00 0.00 62.75 59.23 3fg4 n ILE 617 Cb 0.06 -0.81 -0.06 0.00 0.54 0.00 0.00 39.64 39.38 3fg4 n ILE 617 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3fg4 n LEU 618 N -2.68 1.53 -4.18 9.51 7.94 -1.26 -4.72 117.00 123.14 3fg4 n LEU 618 Ca -0.25 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.65 3fg4 n LEU 618 Cb 0.90 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.58 3fg4 n LEU 618 CO 0.25 -1.10 -0.40 0.42 -1.11 0.00 0.00 177.39 175.45 3fg4 s THR 619 N 0.49 0.84 0.11 1.96 -4.23 0.19 -4.91 115.64 110.09 3fg4 s THR 619 Ca 0.85 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 3fg4 s THR 619 Cb -0.98 -1.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 3fg4 s THR 619 CO 0.48 -0.72 1.53 -0.60 -0.54 0.00 0.00 174.62 174.77 3fg4 s ARG 620 N -3.35 4.24 -0.29 3.99 3.52 -0.30 -0.31 118.95 126.46 3fg4 s ARG 620 Ca 0.09 2.25 -0.24 0.00 -0.13 0.00 0.00 55.73 57.70 3fg4 s ARG 620 Cb 0.01 -3.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3fg4 s ARG 620 CO -0.02 -0.60 0.82 0.00 -0.81 0.00 0.00 175.30 174.69 3fg4 n ASP 622 N 6.19 0.71 -3.62 0.00 8.00 -1.26 -4.78 116.55 121.80 3fg4 n ASP 622 Ca 0.05 -0.58 -0.07 0.00 0.71 0.00 0.00 54.79 54.90 3fg4 n ASP 622 Cb 0.48 0.96 -0.06 0.00 -0.02 0.00 0.00 41.12 42.48 3fg4 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg4 s ALA 623 N -3.11 -2.04 0.35 2.24 0.00 -1.26 -4.92 121.76 113.01 3fg4 s ALA 623 Ca 0.05 1.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 3fg4 s ALA 623 Cb 0.16 -1.29 -0.11 0.00 0.00 0.00 0.00 23.12 21.87 3fg4 s ALA 623 CO 0.83 -0.23 1.51 1.28 0.00 0.00 0.00 175.76 179.16 3fg4 n LEU 624 N 1.22 4.62 -4.76 0.00 7.99 -1.26 -4.96 117.00 119.85 3fg4 n LEU 624 Ca -0.09 1.20 -0.36 0.00 -0.01 0.00 0.00 56.01 56.76 3fg4 n LEU 624 Cb 0.57 -1.61 0.02 0.00 -0.11 0.00 0.00 43.42 42.30 3fg4 n LEU 624 CO 0.08 0.14 0.83 -2.84 -1.51 0.00 0.00 177.39 174.08 3fg4 s PRO 625 N -1.62 3.09 0.48 3.23 0.02 -1.26 -4.86 135.00 134.07 3fg4 s PRO 625 Ca 0.56 1.77 0.16 0.00 0.02 0.00 0.00 61.00 63.52 3fg4 s PRO 625 Cb -0.48 -1.96 1.16 0.00 0.02 0.00 0.00 34.50 33.24 3fg4 s PRO 625 CO 0.59 -1.10 2.07 0.66 -0.33 0.00 0.00 177.00 178.89 3fg4 h SER 626 N 0.99 0.00 -0.52 2.53 4.64 -2.02 -0.83 113.55 118.34 3fg4 h SER 626 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fg4 h SER 626 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3fg4 h SER 626 CO 0.56 0.10 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 3fg4 n ASN 627 N -4.35 2.89 -3.52 4.97 2.04 -1.26 -4.39 115.26 111.63 3fg4 n ASN 627 Ca -0.03 -2.03 -0.27 0.00 -0.44 0.00 0.00 54.58 51.81 3fg4 n ASN 627 Cb 0.18 -0.36 -0.10 0.00 -2.53 0.00 0.00 39.78 36.97 3fg4 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3fg4 n PHE 628 N 1.01 1.72 -1.59 -2.53 7.35 -0.32 -4.12 117.46 118.98 3fg4 n PHE 628 Ca 0.18 -3.90 -0.41 0.00 -0.76 0.00 0.00 57.45 52.56 3fg4 n PHE 628 Cb 0.47 -0.35 -0.01 0.00 0.35 0.00 0.00 39.48 39.93 3fg4 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg4 n PRO 629 N 1.76 3.28 -2.66 -7.13 -0.04 -1.26 -4.41 135.00 124.54 3fg4 n PRO 629 Ca 0.25 -2.50 -0.42 0.00 -0.04 0.00 0.00 63.50 60.80 3fg4 n PRO 629 Cb 0.43 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.80 3fg4 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg4 s VAL 630 N 2.55 4.51 0.32 0.52 1.01 -1.26 -5.05 120.40 122.99 3fg4 s VAL 630 Ca 0.56 1.94 0.07 0.00 0.00 0.00 0.00 61.98 64.56 3fg4 s VAL 630 Cb 0.16 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3fg4 s VAL 630 CO -0.07 0.23 0.28 0.42 0.00 0.00 0.00 175.10 175.95 3fg4 s THR 631 N 0.47 3.74 0.32 3.92 -4.23 -1.26 -5.01 115.64 113.59 3fg4 s THR 631 Ca 0.50 -1.36 0.10 0.00 -1.18 0.00 0.00 61.69 59.75 3fg4 s THR 631 Cb -0.24 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.68 3fg4 s THR 631 CO 0.30 -0.21 1.73 -1.13 -0.54 0.00 0.00 174.62 174.77 3fg4 h ASN 632 N 1.29 0.67 -0.51 3.99 -1.24 -1.98 -1.86 115.58 115.93 3fg4 h ASN 632 Ca -0.46 0.13 -0.06 0.00 0.71 0.00 0.00 56.30 56.63 3fg4 h ASN 632 Cb 1.25 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 40.30 3fg4 h ASN 632 CO 0.59 0.11 0.12 -0.33 -1.29 0.00 0.00 177.43 176.62 3fg4 h GLU 633 N 0.58 0.88 -0.49 6.67 3.07 -2.00 -0.15 114.58 123.13 3fg4 h GLU 633 Ca 0.64 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3fg4 h GLU 633 Cb 1.23 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 3fg4 h GLU 633 CO -0.47 0.80 0.29 0.45 -1.40 0.00 0.00 179.01 178.68 3fg4 h HIS 634 N 0.84 0.66 -0.06 4.33 3.86 -1.74 -3.34 115.15 119.69 3fg4 h HIS 634 Ca 0.18 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3fg4 h HIS 634 Cb 0.33 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3fg4 h HIS 634 CO 0.02 0.46 0.00 1.33 0.86 0.00 0.00 177.93 180.60 3fg4 n VAL 635 N -4.69 0.23 -0.31 2.45 0.24 -1.05 -4.72 118.33 110.47 3fg4 n VAL 635 Ca 0.02 -0.61 0.01 0.00 -2.04 0.00 0.00 64.34 61.72 3fg4 n VAL 635 Cb 0.06 1.01 0.20 0.00 -1.47 0.00 0.00 33.84 33.64 3fg4 n VAL 635 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3fg4 h ASN 636 N 1.53 0.98 0.00 -1.34 -1.24 -1.16 0.12 115.58 114.47 3fg4 h ASN 636 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3fg4 h ASN 636 Cb 0.41 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3fg4 h ASN 636 CO 0.00 0.67 0.11 0.00 -1.29 0.00 0.00 177.43 176.92 3fg4 h ALA 637 N 1.47 1.10 0.00 1.57 0.00 -1.85 -2.49 119.26 119.06 3fg4 h ALA 637 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fg4 h ALA 637 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fg4 h ALA 637 CO -0.11 -0.10 -1.21 0.43 0.00 0.00 0.00 179.25 178.26 3fg4 n SER 638 N -2.76 0.56 -4.83 0.00 7.64 0.41 -4.93 113.62 109.71 3fg4 n SER 638 Ca -0.02 -0.06 -0.35 0.00 1.01 0.00 0.00 58.87 59.44 3fg4 n SER 638 Cb 0.16 0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 64.25 3fg4 n SER 638 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fg4 s LEU 639 N -4.35 4.28 0.00 -3.43 1.43 -0.94 -4.97 118.68 110.71 3fg4 s LEU 639 Ca 0.01 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3fg4 s LEU 639 Cb 0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3fg4 s LEU 639 CO 0.82 -0.01 0.50 -0.90 0.23 0.00 0.00 176.35 177.00 3fg4 n ASP 640 N 0.51 0.00 -1.03 2.29 5.75 -1.26 -4.81 116.55 117.99 3fg4 n ASP 640 Ca -0.02 -1.25 0.09 0.00 -0.01 0.00 0.00 54.79 53.60 3fg4 n ASP 640 Cb 0.52 -0.05 0.25 0.00 -1.03 0.00 0.00 41.12 40.80 3fg4 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg4 n ARG 641 N 0.00 2.78 -0.54 0.11 1.74 -1.26 -4.72 116.66 114.78 3fg4 n ARG 641 Ca 0.00 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 3fg4 n ARG 641 Cb 0.55 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3fg4 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg4 n GLY 642 N 1.15 0.74 3.39 -0.13 0.00 -1.26 -5.08 105.19 103.99 3fg4 n GLY 642 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3fg4 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg4 s LYS 643 N -0.46 1.46 0.54 1.61 1.02 -1.26 -5.15 119.74 117.49 3fg4 s LYS 643 Ca 0.00 -1.64 0.04 0.00 0.02 0.00 0.00 55.97 54.39 3fg4 s LYS 643 Cb 0.00 -1.39 0.05 0.00 -0.52 0.00 0.00 37.83 35.97 3fg4 s LYS 643 CO 0.00 0.25 0.74 -0.80 -0.92 0.00 0.00 175.35 174.62 3fg4 s ASN 644 N -3.32 5.24 0.22 2.83 0.01 -1.26 -4.79 114.94 113.87 3fg4 s ASN 644 Ca 0.25 -0.30 -0.14 0.00 -0.71 0.00 0.00 52.86 51.96 3fg4 s ASN 644 Cb -0.03 -0.53 0.26 0.00 0.41 0.00 0.00 41.25 41.36 3fg4 s ASN 644 CO 0.10 -1.15 1.60 0.25 -1.51 0.00 0.00 177.10 176.39 3fg4 h LEU 645 N 0.18 -0.79 -1.20 0.60 5.85 -1.95 -0.59 115.31 117.41 3fg4 h LEU 645 Ca -0.39 0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3fg4 h LEU 645 Cb 1.29 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.74 3fg4 h LEU 645 CO 0.47 -0.25 0.57 -2.24 -0.34 0.00 0.00 178.44 176.64 3fg4 h ASP 646 N -0.03 0.83 0.22 1.25 2.03 -1.99 0.33 116.42 119.05 3fg4 h ASP 646 Ca 0.33 0.01 -0.27 0.00 -0.73 0.00 0.00 57.03 56.37 3fg4 h ASP 646 Cb 0.54 -0.16 0.02 0.00 -0.83 0.00 0.00 39.33 38.89 3fg4 h ASP 646 CO -0.74 0.52 -1.12 -0.33 -1.03 0.00 0.00 179.24 176.54 3fg4 h GLU 647 N 0.93 0.54 -0.57 4.15 5.08 -1.53 -2.47 114.58 120.72 3fg4 h GLU 647 Ca 0.38 -0.67 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3fg4 h GLU 647 Cb 0.28 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3fg4 h GLU 647 CO -0.15 1.28 0.12 0.93 -1.00 0.00 0.00 179.01 180.18 3fg4 h GLU 648 N 0.27 0.90 0.04 2.33 4.39 -0.20 0.14 114.58 122.44 3fg4 h GLU 648 Ca -0.14 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3fg4 h GLU 648 Cb 1.78 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 3fg4 h GLU 648 CO 0.21 0.82 -0.05 0.82 -1.16 0.00 0.00 179.01 179.65 3fg4 h ILE 649 N 0.86 0.89 0.00 3.13 2.04 -0.93 -1.10 117.51 122.40 3fg4 h ILE 649 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3fg4 h ILE 649 Cb 0.35 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3fg4 h ILE 649 CO 0.00 0.00 -0.17 0.11 0.00 0.00 0.00 178.15 178.10 3fg4 h LYS 650 N -0.10 0.00 -0.00 2.37 6.56 -0.90 -1.67 116.57 122.83 3fg4 h LYS 650 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3fg4 h LYS 650 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3fg4 h LYS 650 CO -0.02 0.17 -0.01 -0.25 -2.06 0.00 0.00 179.45 177.27 3fg4 n ASP 651 N -3.31 0.02 0.00 0.86 10.43 0.42 -4.92 116.55 120.05 3fg4 n ASP 651 Ca 0.00 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.61 3fg4 n ASP 651 Cb 0.41 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3fg4 n ASP 651 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fg4 n GLY 652 N 1.42 0.54 0.71 0.44 0.00 -0.50 -4.96 105.19 102.85 3fg4 n GLY 652 Ca 0.10 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3fg4 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg4 n HIS 653 N -3.52 0.10 -4.21 1.61 8.25 -0.71 -4.69 115.22 112.05 3fg4 n HIS 653 Ca 0.00 -0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 3fg4 n HIS 653 Cb 0.36 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.34 3fg4 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg4 s ILE 654 N -1.34 3.51 0.27 1.59 -1.09 -1.25 -0.21 121.20 122.68 3fg4 s ILE 654 Ca 0.22 -0.47 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 3fg4 s ILE 654 Cb 0.15 -2.56 -0.06 0.00 -1.58 0.00 0.00 42.46 38.41 3fg4 s ILE 654 CO 0.21 0.46 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.97 3fg4 s TYR 655 N 0.95 2.00 -0.01 3.97 1.51 -0.42 -0.75 117.35 124.60 3fg4 s TYR 655 Ca -0.00 -0.60 -0.13 0.00 -1.01 0.00 0.00 57.07 55.32 3fg4 s TYR 655 Cb -0.15 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3fg4 s TYR 655 CO 0.01 0.39 0.28 -1.50 -1.11 0.00 0.00 175.55 173.61 3fg4 s ILE 656 N -2.89 0.06 -0.05 2.71 2.07 0.58 -0.69 121.20 123.00 3fg4 s ILE 656 Ca 0.29 -0.52 0.06 0.00 -1.41 0.00 0.00 60.65 59.06 3fg4 s ILE 656 Cb 0.02 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.02 3fg4 s ILE 656 CO 0.12 -0.29 -0.23 0.68 -1.91 0.00 0.00 174.94 173.31 3fg4 s VAL 657 N -1.35 1.92 -0.20 4.00 -7.23 -0.82 -0.64 120.40 116.07 3fg4 s VAL 657 Ca -0.14 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 3fg4 s VAL 657 Cb -0.06 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.32 3fg4 s VAL 657 CO 0.04 0.54 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.72 3fg4 s ASP 658 N -0.18 3.26 -0.42 4.85 2.15 -1.26 -1.82 116.67 123.24 3fg4 s ASP 658 Ca -0.02 -0.92 0.02 0.00 0.43 0.00 0.00 52.55 52.07 3fg4 s ASP 658 Cb -0.13 -0.92 0.53 0.00 -0.30 0.00 0.00 42.92 42.10 3fg4 s ASP 658 CO 0.03 -0.24 1.84 0.49 -0.17 0.00 0.00 175.17 177.11 3fg4 n PHE 659 N 4.85 2.65 -0.28 -5.34 3.01 0.01 -4.63 117.46 117.72 3fg4 n PHE 659 Ca -0.11 -1.89 0.09 0.00 1.01 0.00 0.00 57.45 56.55 3fg4 n PHE 659 Cb 0.46 -0.95 0.22 0.00 -0.01 0.00 0.00 39.48 39.20 3fg4 n PHE 659 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3fg4 h LYS 660 N 1.08 0.15 -1.76 -1.08 3.64 -1.79 -1.80 116.57 115.01 3fg4 h LYS 660 Ca 0.54 -0.01 0.51 0.00 -1.27 0.00 0.00 60.65 60.42 3fg4 h LYS 660 Cb 2.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.91 3fg4 h LYS 660 CO 1.04 0.10 1.28 -0.24 -2.27 0.00 0.00 179.45 179.36 3fg4 h VAL 661 N 0.16 0.11 0.00 2.00 3.04 -1.96 -1.10 116.25 118.50 3fg4 h VAL 661 Ca 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 3fg4 h VAL 661 Cb 0.91 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 3fg4 h VAL 661 CO -0.66 0.00 -0.06 0.18 -1.01 0.00 0.00 177.57 176.02 3fg4 n LEU 662 N -3.98 0.19 -4.65 3.16 4.77 -0.68 -4.82 117.00 110.99 3fg4 n LEU 662 Ca 0.39 0.46 -0.44 0.00 -0.03 0.00 0.00 56.01 56.39 3fg4 n LEU 662 Cb 1.81 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 42.45 3fg4 n LEU 662 CO 0.43 -0.02 0.78 0.52 -1.33 0.00 0.00 177.39 177.77 3fg4 n VAL 663 N -1.63 1.77 -0.74 4.08 0.31 -0.42 -1.15 118.33 120.55 3fg4 n VAL 663 Ca 0.07 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3fg4 n VAL 663 Cb 0.36 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 3fg4 n VAL 663 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fg4 n GLY 664 N 1.23 1.35 3.77 2.92 0.00 0.70 -5.01 105.19 110.15 3fg4 n GLY 664 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3fg4 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 s ALA 665 N -3.68 3.53 -0.24 4.61 0.00 -0.30 -4.54 121.76 121.14 3fg4 s ALA 665 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3fg4 s ALA 665 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3fg4 s ALA 665 CO 0.00 -0.72 0.17 0.15 0.00 0.00 0.00 175.76 175.36 3fg4 s LYS 666 N -1.56 4.06 0.41 0.00 3.01 -1.26 -1.83 119.74 122.57 3fg4 s LYS 666 Ca 0.51 -0.25 0.08 0.00 -1.01 0.00 0.00 55.97 55.30 3fg4 s LYS 666 Cb -0.41 -3.55 -0.00 0.00 -1.01 0.00 0.00 37.83 32.85 3fg4 s LYS 666 CO 0.53 0.03 0.48 -1.54 0.51 0.00 0.00 175.35 175.36 3fg4 s SER 667 N 1.12 5.42 0.29 2.83 1.04 -0.42 -3.72 113.70 120.26 3fg4 s SER 667 Ca 0.08 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 3fg4 s SER 667 Cb -0.14 -0.66 -0.11 0.00 0.10 0.00 0.00 66.02 65.22 3fg4 s SER 667 CO 0.05 -0.69 1.50 -0.47 0.98 0.00 0.00 173.24 174.61 3fg4 s TYR 668 N -2.39 2.85 0.00 5.02 5.04 -0.01 -2.52 117.35 125.34 3fg4 s TYR 668 Ca 0.51 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 3fg4 s TYR 668 Cb -0.07 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.29 3fg4 s TYR 668 CO 0.31 -3.06 0.00 0.41 -1.34 0.00 0.00 175.55 171.87 3fg4 n GLY 669 N 1.89 0.69 0.00 8.97 0.00 -1.26 -1.14 105.19 114.33 3fg4 n GLY 669 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3fg4 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 670 N -1.87 1.69 3.75 -0.02 0.00 -1.05 -4.93 105.19 102.76 3fg4 n GLY 670 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fg4 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg4 n PRO 671 N -0.12 2.66 -4.48 1.61 -0.02 -1.25 -4.84 135.00 128.57 3fg4 n PRO 671 Ca 0.00 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 3fg4 n PRO 671 Cb 0.00 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 30.60 3fg4 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg4 s VAL 672 N -0.19 1.95 0.15 -1.45 1.01 -1.26 -1.30 120.40 119.30 3fg4 s VAL 672 Ca 0.62 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3fg4 s VAL 672 Cb -0.50 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 3fg4 s VAL 672 CO 0.51 0.53 1.15 -0.22 0.00 0.00 0.00 175.10 177.07 3fg4 s LEU 673 N 0.99 4.44 0.36 3.92 2.96 -0.76 -4.80 118.68 125.79 3fg4 s LEU 673 Ca -0.04 2.11 0.09 0.00 -0.22 0.00 0.00 54.13 56.07 3fg4 s LEU 673 Cb -0.15 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.88 3fg4 s LEU 673 CO -0.05 -0.34 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.01 3fg4 s GLU 674 N 0.08 1.95 0.28 1.98 2.02 0.28 -0.21 118.70 125.07 3fg4 s GLU 674 Ca 0.53 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.60 3fg4 s GLU 674 Cb -0.30 -1.77 0.65 0.00 0.10 0.00 0.00 34.13 32.81 3fg4 s GLU 674 CO 0.34 0.08 1.65 0.38 0.02 0.00 0.00 175.26 177.73 3fg4 h ASP 675 N 1.87 -0.01 0.68 -0.19 3.04 -1.97 0.23 116.42 120.07 3fg4 h ASP 675 Ca -0.43 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 3fg4 h ASP 675 Cb 1.25 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.79 3fg4 h ASP 675 CO 0.72 -0.13 0.00 2.30 -2.04 0.00 0.00 179.24 180.09 3fg4 n ILE 676 N -5.21 0.08 0.00 4.15 -6.64 -1.26 -1.13 119.36 109.34 3fg4 n ILE 676 Ca 0.20 0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.19 3fg4 n ILE 676 Cb 0.63 -0.55 0.00 0.00 -1.44 0.00 0.00 39.64 38.28 3fg4 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fg4 n GLY 677 N 1.22 0.98 3.05 3.28 0.00 0.81 -4.93 105.19 109.60 3fg4 n GLY 677 Ca 0.11 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 3fg4 n GLY 677 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg4 s TYR 678 N 0.00 1.05 0.19 1.61 1.51 -1.26 -0.56 117.35 119.89 3fg4 s TYR 678 Ca 0.00 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 3fg4 s TYR 678 Cb 0.00 -0.71 -0.08 0.00 -0.11 0.00 0.00 41.96 41.06 3fg4 s TYR 678 CO 0.00 -0.06 0.98 -1.59 -1.11 0.00 0.00 175.55 173.77 3fg4 s LYS 679 N -0.07 4.75 0.03 -0.62 0.00 -1.26 -5.05 119.74 117.52 3fg4 s LYS 679 Ca 0.01 1.53 -0.30 0.00 0.00 0.00 0.00 55.97 57.20 3fg4 s LYS 679 Cb -0.07 -3.31 -0.04 0.00 0.00 0.00 0.00 37.83 34.41 3fg4 s LYS 679 CO 0.00 0.33 1.11 0.14 0.00 0.00 0.00 175.35 176.93 3fg4 s VAL 680 N -0.64 4.39 0.03 1.79 -7.23 -1.26 -5.12 120.40 112.37 3fg4 s VAL 680 Ca 0.44 1.72 0.00 0.00 -1.81 0.00 0.00 61.98 62.33 3fg4 s VAL 680 Cb -0.26 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.58 3fg4 s VAL 680 CO 0.32 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 175.24 3fg4 n ALA 689 N 3.97 -0.29 -3.16 1.32 0.00 -1.26 -5.26 120.51 115.83 3fg4 n ALA 689 Ca 0.08 0.05 -0.46 0.00 0.00 0.00 0.00 53.44 53.11 3fg4 n ALA 689 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 3fg4 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fg4 s ASP 690 N -3.94 6.71 -0.08 0.00 3.68 -1.26 -4.98 116.67 116.79 3fg4 s ASP 690 Ca 0.00 -2.42 0.05 0.00 2.13 0.00 0.00 52.55 52.31 3fg4 s ASP 690 Cb 0.00 -2.29 -0.01 0.00 -1.45 0.00 0.00 42.92 39.17 3fg4 s ASP 690 CO 0.00 -0.78 -0.23 -0.63 0.13 0.00 0.00 175.17 173.66 3fg4 s ILE 691 N 1.23 2.17 0.21 4.11 1.01 -1.26 -4.00 121.20 124.66 3fg4 s ILE 691 Ca 0.24 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.97 3fg4 s ILE 691 Cb -0.08 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 3fg4 s ILE 691 CO -0.09 0.56 -0.17 -0.13 0.00 0.00 0.00 174.94 175.11 3fg4 s ARG 692 N 0.05 1.38 0.03 2.79 0.52 -0.30 -4.61 118.95 118.82 3fg4 s ARG 692 Ca -0.09 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 53.58 3fg4 s ARG 692 Cb -0.15 -1.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.96 3fg4 s ARG 692 CO 0.06 0.25 -0.08 0.71 0.02 0.00 0.00 175.30 176.25 3fg4 s TYR 693 N -2.53 0.71 0.00 -0.53 1.51 -0.38 -4.46 117.35 111.66 3fg4 s TYR 693 Ca 0.22 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3fg4 s TYR 693 Cb -0.03 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 3fg4 s TYR 693 CO 0.08 -0.04 0.00 0.00 -1.11 0.00 0.00 175.55 174.48 3fg4 s ALA 695 N -2.00 -1.13 -0.57 0.00 0.00 -1.26 -4.99 121.76 111.81 3fg4 s ALA 695 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3fg4 s ALA 695 Cb 0.00 0.78 0.28 0.00 0.00 0.00 0.00 23.12 24.18 3fg4 s ALA 695 CO 0.00 -0.71 0.77 0.00 0.00 0.00 0.00 175.76 175.81 3fg4 n ALA 696 N -0.29 3.85 -1.56 0.00 0.00 -1.22 -4.65 120.51 116.64 3fg4 n ALA 696 Ca -0.15 -4.46 -0.32 0.00 0.00 0.00 0.00 53.44 48.51 3fg4 n ALA 696 Cb 0.64 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 19.28 3fg4 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 697 N -2.56 2.98 -0.01 0.00 0.05 -0.82 -3.50 135.00 131.14 3fg4 s PRO 697 Ca 0.42 1.14 0.03 0.00 0.05 0.00 0.00 61.00 62.64 3fg4 s PRO 697 Cb 0.20 -1.99 -0.03 0.00 0.05 0.00 0.00 34.50 32.73 3fg4 s PRO 697 CO -0.06 -1.08 -0.09 -0.51 0.05 0.00 0.00 177.00 175.31 3fg4 s LEU 698 N -5.09 3.05 -0.01 -3.56 1.02 -0.01 -0.81 118.68 113.27 3fg4 s LEU 698 Ca 0.62 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.63 3fg4 s LEU 698 Cb -0.16 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 3fg4 s LEU 698 CO 0.46 0.30 -0.08 0.00 0.02 0.00 0.00 176.35 177.05 3fg4 s ALA 699 N -0.92 0.69 0.06 4.21 0.00 -0.76 -0.02 121.76 125.01 3fg4 s ALA 699 Ca 0.15 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3fg4 s ALA 699 Cb -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3fg4 s ALA 699 CO 0.05 0.16 0.04 -1.17 0.00 0.00 0.00 175.76 174.85 3fg4 s LEU 700 N -0.16 3.67 0.06 0.00 2.96 0.20 -1.95 118.68 123.46 3fg4 s LEU 700 Ca 0.03 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3fg4 s LEU 700 Cb -0.04 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 3fg4 s LEU 700 CO -0.00 0.20 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.81 3fg4 s PHE 701 N -1.29 0.68 -0.03 5.38 0.40 0.14 -0.33 117.98 122.93 3fg4 s PHE 701 Ca 0.26 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3fg4 s PHE 701 Cb -0.12 -0.42 0.03 0.00 0.51 0.00 0.00 43.02 43.02 3fg4 s PHE 701 CO 0.18 -0.18 0.01 -0.47 0.70 0.00 0.00 175.22 175.46 3fg4 s TYR 702 N -2.75 0.22 -0.51 0.36 5.04 -0.17 -1.31 117.35 118.24 3fg4 s TYR 702 Ca 0.01 0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.42 3fg4 s TYR 702 Cb -0.01 -0.36 0.03 0.00 0.35 0.00 0.00 41.96 41.97 3fg4 s TYR 702 CO -0.04 -0.12 1.03 0.08 -1.34 0.00 0.00 175.55 175.16 3fg4 s VAL 703 N 1.06 4.31 1.10 3.14 1.01 0.70 -0.76 120.40 130.96 3fg4 s VAL 703 Ca -0.09 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 3fg4 s VAL 703 Cb -0.13 -4.55 0.24 0.00 0.00 0.00 0.00 36.38 31.94 3fg4 s VAL 703 CO -0.02 -1.03 1.17 0.54 0.00 0.00 0.00 175.10 175.76 3fg4 s ASN 704 N 2.56 1.86 0.52 3.32 2.20 0.73 -4.84 114.94 121.28 3fg4 s ASN 704 Ca 0.39 0.58 0.34 0.00 -0.94 0.00 0.00 52.86 53.23 3fg4 s ASN 704 Cb -0.09 -0.81 1.57 0.00 -2.00 0.00 0.00 41.25 39.92 3fg4 s ASN 704 CO 0.26 -3.54 2.02 0.07 -2.94 0.00 0.00 177.10 172.97 3fg4 h LYS 705 N -2.18 0.00 -0.05 3.55 2.10 -1.89 -0.72 116.57 117.38 3fg4 h LYS 705 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3fg4 h LYS 705 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3fg4 h LYS 705 CO 0.39 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.12 3fg4 n LEU 706 N -2.89 1.33 0.00 7.07 4.77 -1.26 -4.92 117.00 121.10 3fg4 n LEU 706 Ca -0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3fg4 n LEU 706 Cb 0.21 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3fg4 n LEU 706 CO 0.23 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3fg4 n GLY 707 N 1.13 0.74 3.77 -0.72 0.00 -0.27 -5.05 105.19 104.79 3fg4 n GLY 707 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3fg4 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 708 N -2.27 3.85 -0.35 1.61 3.76 -1.26 -4.69 115.29 115.94 3fg4 s HIS 708 Ca 0.00 1.54 -0.23 0.00 -0.15 0.00 0.00 55.06 56.22 3fg4 s HIS 708 Cb 0.00 -2.74 0.01 0.00 1.11 0.00 0.00 32.58 30.96 3fg4 s HIS 708 CO 0.00 0.47 0.76 -1.17 -0.85 0.00 0.00 174.74 173.94 3fg4 s LEU 709 N -0.87 4.14 -0.13 0.89 2.96 -1.26 -0.19 118.68 124.22 3fg4 s LEU 709 Ca 0.35 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3fg4 s LEU 709 Cb -0.22 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3fg4 s LEU 709 CO 0.24 -0.68 -0.05 -0.04 -1.32 0.00 0.00 176.35 174.50 3fg4 s MET 710 N 3.00 3.38 -0.02 1.98 -1.94 0.06 -3.95 119.30 121.81 3fg4 s MET 710 Ca 0.30 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.45 3fg4 s MET 710 Cb -0.14 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 3fg4 s MET 710 CO 0.16 0.38 1.21 -1.25 -0.01 0.00 0.00 175.02 175.51 3fg4 s PRO 711 N -0.02 4.37 -0.01 2.03 0.04 -1.26 -1.00 135.00 139.14 3fg4 s PRO 711 Ca 0.01 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.80 3fg4 s PRO 711 Cb -0.13 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 3fg4 s PRO 711 CO 0.03 -0.40 0.05 0.44 0.04 0.00 0.00 177.00 177.16 3fg4 n ILE 712 N 4.42 0.08 -3.70 0.56 -5.35 0.55 -4.67 119.36 111.25 3fg4 n ILE 712 Ca 0.10 -0.09 -0.14 0.00 -0.27 0.00 0.00 62.75 62.36 3fg4 n ILE 712 Cb 0.46 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.20 3fg4 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg4 s ALA 713 N -2.17 -1.27 -0.04 -1.28 0.00 -1.10 -4.27 121.76 111.62 3fg4 s ALA 713 Ca -0.01 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.38 3fg4 s ALA 713 Cb 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3fg4 s ALA 713 CO 0.13 -0.25 -0.09 0.42 0.00 0.00 0.00 175.76 175.97 3fg4 s ILE 714 N 0.17 0.85 -0.23 0.00 1.01 -0.16 0.58 121.20 123.41 3fg4 s ILE 714 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3fg4 s ILE 714 Cb -0.04 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.69 3fg4 s ILE 714 CO 0.01 0.28 -0.12 -1.58 0.00 0.00 0.00 174.94 173.53 3fg4 s GLN 715 N 0.46 2.74 0.32 2.79 0.74 0.97 -1.08 119.66 126.59 3fg4 s GLN 715 Ca -0.08 -1.02 0.04 0.00 0.05 0.00 0.00 55.36 54.35 3fg4 s GLN 715 Cb -0.12 -2.83 0.54 0.00 1.10 0.00 0.00 33.01 31.70 3fg4 s GLN 715 CO 0.01 -0.38 1.82 0.82 -0.55 0.00 0.00 175.29 177.01 3fg4 h ILE 716 N 6.23 1.22 -4.75 -2.34 2.04 -1.82 0.02 117.51 118.11 3fg4 h ILE 716 Ca -0.33 -0.98 -0.51 0.00 1.00 0.00 0.00 64.86 64.03 3fg4 h ILE 716 Cb 1.10 1.13 -0.11 0.00 -0.74 0.00 0.00 36.82 38.20 3fg4 h ILE 716 CO 0.57 0.32 -0.43 0.59 0.00 0.00 0.00 178.15 179.20 3fg4 n ASN 717 N -4.21 1.30 0.08 1.72 3.02 -1.26 -1.95 115.26 113.96 3fg4 n ASN 717 Ca 0.01 -2.99 0.01 0.00 -0.03 0.00 0.00 54.58 51.58 3fg4 n ASN 717 Cb 0.31 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.36 3fg4 n ASN 717 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3fg4 h GLN 718 N 0.00 0.00 -4.76 3.52 1.08 -1.37 -3.42 115.11 110.16 3fg4 h GLN 718 Ca -0.29 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.22 3fg4 h GLN 718 Cb 1.11 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.23 3fg4 h GLN 718 CO 0.47 0.44 -0.67 -2.00 -0.95 0.00 0.00 178.83 176.12 3fg4 s GLU 719 N -2.92 2.60 0.73 1.46 2.56 -0.29 -4.82 118.70 118.01 3fg4 s GLU 719 Ca 0.01 -1.17 -0.11 0.00 0.00 0.00 0.00 54.97 53.70 3fg4 s GLU 719 Cb 0.08 -3.26 0.03 0.00 2.00 0.00 0.00 34.13 32.98 3fg4 s GLU 719 CO 0.78 -0.59 1.08 -1.25 -0.56 0.00 0.00 175.26 174.72 3fg4 s PRO 720 N 1.33 2.62 0.00 4.30 0.04 -1.26 -4.70 135.00 137.34 3fg4 s PRO 720 Ca -0.03 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3fg4 s PRO 720 Cb -0.19 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3fg4 s PRO 720 CO 0.00 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.10 3fg4 n GLY 721 N -1.55 -1.87 0.29 0.56 0.00 -1.22 -4.88 105.19 96.51 3fg4 n GLY 721 Ca 0.08 -1.47 0.15 0.00 0.00 0.00 0.00 46.02 44.78 3fg4 n GLY 721 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fg4 h PRO 722 N 1.49 0.00 -0.01 1.61 0.13 -1.95 -1.39 132.00 131.87 3fg4 h PRO 722 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fg4 h PRO 722 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fg4 h PRO 722 CO 0.00 0.05 -0.44 0.39 -0.23 0.00 0.00 178.00 177.77 3fg4 n GLU 723 N -3.72 1.02 -3.22 0.86 1.02 -1.26 -4.40 120.64 110.94 3fg4 n GLU 723 Ca -0.02 -0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 56.10 3fg4 n GLU 723 Cb 0.14 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 3fg4 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg4 n ASN 724 N -0.31 0.85 -2.00 1.62 5.15 -0.53 -4.23 115.26 115.80 3fg4 n ASN 724 Ca 0.10 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 3fg4 n ASN 724 Cb 0.42 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3fg4 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fg4 n PRO 725 N 1.22 0.41 -3.59 1.20 -0.04 -1.16 -3.39 135.00 129.65 3fg4 n PRO 725 Ca 0.23 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.32 3fg4 n PRO 725 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 3fg4 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg4 s ILE 726 N -0.22 5.31 0.01 0.52 1.01 -1.26 -4.35 121.20 122.22 3fg4 s ILE 726 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.97 3fg4 s ILE 726 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3fg4 s ILE 726 CO 0.00 0.31 -0.02 0.26 0.00 0.00 0.00 174.94 175.49 3fg4 s TRP 727 N 1.25 3.01 0.21 3.97 0.52 -0.24 -4.95 118.94 122.71 3fg4 s TRP 727 Ca 0.10 0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.27 3fg4 s TRP 727 Cb -0.14 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 3fg4 s TRP 727 CO 0.06 0.44 0.05 0.95 0.02 0.00 0.00 176.95 178.48 3fg4 s THR 728 N -1.09 0.57 -1.15 2.01 -4.23 -1.26 -0.99 115.64 109.49 3fg4 s THR 728 Ca 0.20 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.73 3fg4 s THR 728 Cb -0.11 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.37 3fg4 s THR 728 CO 0.10 -0.23 0.98 -2.65 -0.54 0.00 0.00 174.62 172.28 3fg4 n PRO 729 N -0.34 0.01 -0.60 3.99 -0.02 -1.26 -2.36 135.00 134.42 3fg4 n PRO 729 Ca -0.03 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 3fg4 n PRO 729 Cb 0.65 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.99 3fg4 n PRO 729 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3fg4 n HIS 730 N -1.42 1.46 -1.55 6.00 8.25 -1.26 -4.98 115.22 121.71 3fg4 n HIS 730 Ca 0.01 -0.60 -0.51 0.00 -0.26 0.00 0.00 57.72 56.35 3fg4 n HIS 730 Cb 0.02 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 3fg4 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg4 n GLU 731 N 1.18 0.86 -0.14 -0.41 -0.58 -0.99 -4.87 120.64 115.69 3fg4 n GLU 731 Ca 0.26 0.31 -0.04 0.00 -0.42 0.00 0.00 57.16 57.27 3fg4 n GLU 731 Cb 0.88 -1.80 0.05 0.00 -0.57 0.00 0.00 31.44 29.99 3fg4 n GLU 731 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3fg4 h GLU 732 N 3.42 0.19 -5.09 3.49 4.11 -1.94 -3.32 114.58 115.44 3fg4 h GLU 732 Ca -0.45 -0.01 -0.68 0.00 0.07 0.00 0.00 59.36 58.30 3fg4 h GLU 732 Cb 1.36 -0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.40 3fg4 h GLU 732 CO 0.70 0.13 -0.01 1.21 0.07 0.00 0.00 179.01 181.10 3fg4 s ASN 733 N -5.30 6.25 0.52 3.06 2.47 -1.26 -4.92 114.94 115.76 3fg4 s ASN 733 Ca -0.13 -0.63 0.17 0.00 0.42 0.00 0.00 52.86 52.69 3fg4 s ASN 733 Cb 0.14 -2.28 1.27 0.00 -1.45 0.00 0.00 41.25 38.94 3fg4 s ASN 733 CO 0.72 -0.74 2.13 1.05 -3.72 0.00 0.00 177.10 176.53 3fg4 h GLU 734 N 8.86 0.02 0.00 0.43 4.11 -1.96 -0.82 114.58 125.22 3fg4 h GLU 734 Ca -0.26 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 3fg4 h GLU 734 Cb 1.10 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fg4 h GLU 734 CO 0.88 0.01 -0.07 0.45 0.07 0.00 0.00 179.01 180.35 3fg4 h HIS 735 N 0.02 0.00 -0.01 2.06 3.86 -1.91 -2.40 115.15 116.77 3fg4 h HIS 735 Ca 0.04 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.02 3fg4 h HIS 735 Cb 0.14 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.61 3fg4 h HIS 735 CO -0.00 0.07 -0.94 -0.44 0.86 0.00 0.00 177.93 177.48 3fg4 h ASP 736 N 0.00 0.62 -0.13 2.45 3.32 -1.43 -0.96 116.42 120.30 3fg4 h ASP 736 Ca -0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3fg4 h ASP 736 Cb 0.21 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3fg4 h ASP 736 CO 0.01 1.28 -0.01 -0.25 -1.72 0.00 0.00 179.24 178.55 3fg4 h TRP 737 N 0.28 0.25 -0.38 4.55 -0.00 -1.57 -1.58 115.95 117.51 3fg4 h TRP 737 Ca -0.08 -0.05 0.08 0.00 -0.00 0.00 0.00 58.89 58.84 3fg4 h TRP 737 Cb 1.57 -0.06 -0.07 0.00 -0.00 0.00 0.00 29.16 30.59 3fg4 h TRP 737 CO 0.07 0.48 -0.10 1.98 -0.00 0.00 0.00 178.44 180.87 3fg4 h MET 738 N -0.05 -0.00 -0.55 2.65 4.05 -1.36 -1.58 114.93 118.08 3fg4 h MET 738 Ca 0.03 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 3fg4 h MET 738 Cb 0.39 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3fg4 h MET 738 CO 0.01 -0.00 0.14 1.98 0.23 0.00 0.00 176.91 179.26 3fg4 h MET 739 N -0.00 0.85 -0.88 0.39 1.85 -1.16 -1.54 114.93 114.43 3fg4 h MET 739 Ca 0.18 -0.17 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3fg4 h MET 739 Cb 0.28 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 3fg4 h MET 739 CO -0.39 0.76 0.57 0.00 -0.40 0.00 0.00 176.91 177.45 3fg4 h ALA 740 N 1.33 1.12 0.00 0.39 0.00 -0.88 -2.25 119.26 118.98 3fg4 h ALA 740 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3fg4 h ALA 740 Cb 0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fg4 h ALA 740 CO -0.00 0.54 -0.15 0.87 0.00 0.00 0.00 179.25 180.50 3fg4 h LYS 741 N 1.20 0.00 0.02 0.00 1.57 -0.29 -2.34 116.57 116.73 3fg4 h LYS 741 Ca 0.32 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.89 3fg4 h LYS 741 Cb -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3fg4 h LYS 741 CO -0.07 0.15 -0.98 0.74 -0.57 0.00 0.00 179.45 178.73 3fg4 h PHE 742 N 0.00 0.14 -0.23 -1.35 0.05 -1.01 -1.55 116.94 112.98 3fg4 h PHE 742 Ca -0.00 -0.09 -0.16 0.00 3.82 0.00 0.00 57.97 61.54 3fg4 h PHE 742 Cb 0.31 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 3fg4 h PHE 742 CO 0.00 1.00 -0.51 -1.49 -0.18 0.00 0.00 178.31 177.13 3fg4 h TRP 743 N 0.03 0.79 -0.47 -0.55 4.06 -1.14 0.38 115.95 119.06 3fg4 h TRP 743 Ca -0.04 -0.27 -0.13 0.00 2.06 0.00 0.00 58.89 60.52 3fg4 h TRP 743 Cb 1.68 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.67 3fg4 h TRP 743 CO 0.02 1.02 -0.22 1.25 -3.56 0.00 0.00 178.44 176.95 3fg4 h LEU 744 N 0.50 0.98 -0.30 -4.49 5.85 -1.38 -2.85 115.31 113.62 3fg4 h LEU 744 Ca 0.02 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 3fg4 h LEU 744 Cb 1.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3fg4 h LEU 744 CO 0.10 1.15 -0.05 1.23 -0.34 0.00 0.00 178.44 180.53 3fg4 h GLY 745 N 0.90 0.60 0.87 3.75 0.00 -0.97 -1.28 103.07 106.93 3fg4 h GLY 745 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3fg4 h GLY 745 CO 0.07 0.44 0.49 -0.24 0.00 0.00 0.00 176.54 177.30 3fg4 h VAL 746 N 0.33 1.11 -0.36 4.60 3.04 -0.90 0.62 116.25 124.69 3fg4 h VAL 746 Ca 0.08 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.43 3fg4 h VAL 746 Cb 0.52 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 3fg4 h VAL 746 CO 0.03 0.17 0.17 0.00 -1.01 0.00 0.00 177.57 176.93 3fg4 h ALA 747 N 1.33 0.46 -0.75 3.17 0.00 -1.31 -2.32 119.26 119.83 3fg4 h ALA 747 Ca 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3fg4 h ALA 747 Cb 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3fg4 h ALA 747 CO -0.11 0.03 0.41 1.49 0.00 0.00 0.00 179.25 181.06 3fg4 h GLU 748 N 0.44 1.05 -0.10 0.00 4.81 -0.75 -1.32 114.58 118.71 3fg4 h GLU 748 Ca 0.12 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fg4 h GLU 748 Cb 0.12 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3fg4 h GLU 748 CO -0.02 0.79 0.05 0.77 -0.73 0.00 0.00 179.01 179.87 3fg4 h SER 749 N 1.04 0.13 -0.40 1.04 0.02 -0.69 0.43 113.55 115.12 3fg4 h SER 749 Ca 0.26 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fg4 h SER 749 Cb 0.04 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3fg4 h SER 749 CO -0.04 0.20 0.24 0.78 -1.14 0.00 0.00 176.83 176.86 3fg4 h ASN 750 N 0.06 0.49 -0.60 3.07 4.21 -1.32 -1.80 115.58 119.69 3fg4 h ASN 750 Ca 0.04 -0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 3fg4 h ASN 750 Cb 0.10 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3fg4 h ASN 750 CO -0.01 0.41 0.34 0.15 -1.29 0.00 0.00 177.43 177.03 3fg4 h PHE 751 N 0.53 0.82 0.29 1.19 3.57 -1.17 -2.59 116.94 119.58 3fg4 h PHE 751 Ca 0.14 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3fg4 h PHE 751 Cb 0.01 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3fg4 h PHE 751 CO -0.03 0.58 -0.14 1.25 -2.23 0.00 0.00 178.31 177.74 3fg4 h HIS 752 N 0.81 -0.37 -0.24 0.41 2.76 0.01 -1.66 115.15 116.87 3fg4 h HIS 752 Ca 0.21 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.21 3fg4 h HIS 752 Cb 0.03 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.11 3fg4 h HIS 752 CO -0.01 -0.20 -0.49 1.96 -1.30 0.00 0.00 177.93 177.88 3fg4 h GLN 753 N -0.43 0.76 0.14 5.26 4.20 -1.38 0.97 115.11 124.63 3fg4 h GLN 753 Ca -0.04 -0.50 -0.28 0.00 0.06 0.00 0.00 58.65 57.90 3fg4 h GLN 753 Cb 0.33 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.18 3fg4 h GLN 753 CO 0.07 1.12 -1.38 -0.07 -0.67 0.00 0.00 178.83 177.90 3fg4 h LEU 754 N 0.49 0.47 0.00 1.46 3.38 -1.54 -1.32 115.31 118.24 3fg4 h LEU 754 Ca 0.01 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3fg4 h LEU 754 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3fg4 h LEU 754 CO 0.11 1.62 -0.71 -3.20 0.09 0.00 0.00 178.44 176.35 3fg4 n ASN 755 N -3.89 1.48 0.04 -0.43 5.15 -0.79 -1.57 115.26 115.25 3fg4 n ASN 755 Ca -0.23 0.30 -0.12 0.00 -0.60 0.00 0.00 54.58 53.94 3fg4 n ASN 755 Cb 0.93 -0.70 -0.06 0.00 -0.53 0.00 0.00 39.78 39.41 3fg4 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg4 h THR 756 N -0.77 0.94 0.00 -0.44 2.02 -1.10 0.37 112.91 113.93 3fg4 h THR 756 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fg4 h THR 756 Cb 0.71 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3fg4 h THR 756 CO 0.00 0.00 0.00 1.57 0.37 0.00 0.00 175.52 177.46 3fg4 n HIS 757 N -5.12 0.00 0.14 3.16 -0.00 0.31 -3.86 115.22 109.85 3fg4 n HIS 757 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.52 3fg4 n HIS 757 Cb 0.06 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 29.68 3fg4 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg4 h LEU 758 N 0.00 -0.28 0.00 0.27 5.85 -1.35 -1.28 115.31 118.52 3fg4 h LEU 758 Ca 0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3fg4 h LEU 758 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3fg4 h LEU 758 CO 0.00 -0.06 -0.00 0.25 -0.34 0.00 0.00 178.44 178.29 3fg4 h LEU 759 N -0.48 -0.00 -0.02 2.25 5.85 -1.30 -1.84 115.31 119.77 3fg4 h LEU 759 Ca -0.03 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3fg4 h LEU 759 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3fg4 h LEU 759 CO 0.05 0.69 -0.04 0.54 -0.34 0.00 0.00 178.44 179.34 3fg4 n ARG 760 N -4.76 0.23 0.00 1.25 1.74 0.12 -1.73 116.66 113.50 3fg4 n ARG 760 Ca -0.09 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3fg4 n ARG 760 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3fg4 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg4 n THR 761 N -1.37 0.00 0.00 0.55 -2.24 -0.49 -4.77 114.28 105.96 3fg4 n THR 761 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3fg4 n THR 761 Cb 0.30 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3fg4 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg4 n HIS 762 N -0.19 0.00 -0.14 4.78 8.25 -1.19 -2.05 115.22 124.68 3fg4 n HIS 762 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3fg4 n HIS 762 Cb 0.00 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 3fg4 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg4 h LEU 763 N 0.00 0.66 -0.10 2.41 3.38 -1.39 -0.37 115.31 119.90 3fg4 h LEU 763 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3fg4 h LEU 763 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3fg4 h LEU 763 CO 0.00 0.76 -0.05 0.71 0.09 0.00 0.00 178.44 179.95 3fg4 h THR 764 N 0.53 1.32 0.00 0.22 1.35 -1.38 -3.24 112.91 111.72 3fg4 h THR 764 Ca 0.12 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 64.88 3fg4 h THR 764 Cb 0.38 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3fg4 h THR 764 CO 0.01 0.30 -0.13 0.71 -0.25 0.00 0.00 175.52 176.16 3fg4 h THR 765 N -0.15 0.64 -0.62 6.82 1.35 -1.34 -2.62 112.91 116.98 3fg4 h THR 765 Ca 0.02 -0.57 0.08 0.00 -0.55 0.00 0.00 66.41 65.39 3fg4 h THR 765 Cb 0.50 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 3fg4 h THR 765 CO 0.01 0.13 0.41 -0.08 -0.25 0.00 0.00 175.52 175.75 3fg4 h GLU 766 N 0.00 0.52 -0.71 4.72 4.81 -1.08 -1.04 114.58 121.81 3fg4 h GLU 766 Ca -0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3fg4 h GLU 766 Cb 0.35 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3fg4 h GLU 766 CO 0.02 0.35 0.25 0.77 -0.73 0.00 0.00 179.01 179.66 3fg4 h SER 767 N 0.54 0.99 0.62 1.04 0.02 -1.53 -0.09 113.55 115.14 3fg4 h SER 767 Ca 0.28 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3fg4 h SER 767 Cb 0.39 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3fg4 h SER 767 CO -0.08 0.90 -0.58 -0.26 -1.14 0.00 0.00 176.83 175.67 3fg4 h PHE 768 N 1.03 0.00 -0.20 3.45 -1.00 -1.36 -2.25 116.94 116.61 3fg4 h PHE 768 Ca 0.23 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.94 3fg4 h PHE 768 Cb 0.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 3fg4 h PHE 768 CO 0.02 0.58 -0.15 0.00 -1.61 0.00 0.00 178.31 177.15 3fg4 h ALA 769 N 1.42 0.29 -0.68 2.45 0.00 -0.21 -1.78 119.26 120.75 3fg4 h ALA 769 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fg4 h ALA 769 Cb 1.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3fg4 h ALA 769 CO 0.08 0.18 0.35 1.25 0.00 0.00 0.00 179.25 181.11 3fg4 h LEU 770 N 0.15 0.87 -1.45 0.00 5.85 -1.05 -2.20 115.31 117.46 3fg4 h LEU 770 Ca 0.04 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3fg4 h LEU 770 Cb 0.67 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3fg4 h LEU 770 CO 0.04 0.73 -0.28 -1.28 -0.34 0.00 0.00 178.44 177.32 3fg4 h SER 771 N 0.94 0.00 -0.54 1.25 0.87 -1.31 -0.85 113.55 113.90 3fg4 h SER 771 Ca 0.24 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3fg4 h SER 771 Cb 0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3fg4 h SER 771 CO -0.03 0.28 0.26 0.74 -0.53 0.00 0.00 176.83 177.55 3fg4 h THR 772 N 0.00 1.20 0.00 2.23 2.02 -0.69 -0.97 112.91 116.70 3fg4 h THR 772 Ca -0.00 -0.56 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 3fg4 h THR 772 Cb 0.51 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3fg4 h THR 772 CO 0.04 0.22 -0.59 -0.50 0.37 0.00 0.00 175.52 175.06 3fg4 h TRP 773 N 0.73 0.00 0.13 3.16 4.06 -1.18 -2.01 115.95 120.85 3fg4 h TRP 773 Ca 0.19 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.86 3fg4 h TRP 773 Cb 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3fg4 h TRP 773 CO -0.00 0.59 -1.26 0.00 -3.56 0.00 0.00 178.44 174.21 3fg4 h ARG 774 N 0.00 0.28 0.00 0.49 3.08 -1.08 -3.42 114.38 113.73 3fg4 h ARG 774 Ca -0.01 -0.48 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 3fg4 h ARG 774 Cb 1.18 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3fg4 h ARG 774 CO 0.08 1.23 -1.23 0.09 -1.07 0.00 0.00 179.97 179.06 3fg4 n ASN 775 N -3.54 4.00 -4.63 7.04 3.02 -0.38 -4.47 115.26 116.31 3fg4 n ASN 775 Ca -0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.11 3fg4 n ASN 775 Cb 1.03 0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 41.08 3fg4 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 776 N -3.67 3.87 0.60 3.41 1.43 -0.76 -4.74 118.68 118.83 3fg4 s LEU 776 Ca -0.02 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 3fg4 s LEU 776 Cb 0.02 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3fg4 s LEU 776 CO 0.18 0.14 1.05 0.00 0.23 0.00 0.00 176.35 177.94 3fg4 s ALA 777 N 0.60 2.77 0.44 4.21 0.00 -1.26 -4.78 121.76 123.74 3fg4 s ALA 777 Ca 0.05 0.31 0.31 0.00 0.00 0.00 0.00 51.96 52.62 3fg4 s ALA 777 Cb -0.13 -3.21 1.63 0.00 0.00 0.00 0.00 23.12 21.42 3fg4 s ALA 777 CO 0.01 -0.81 2.13 0.66 0.00 0.00 0.00 175.76 177.75 3fg4 h SER 778 N 0.28 0.00 0.51 0.00 4.64 -1.97 -0.32 113.55 116.69 3fg4 h SER 778 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fg4 h SER 778 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fg4 h SER 778 CO 0.58 0.08 -0.08 0.00 -0.87 0.00 0.00 176.83 176.53 3fg4 n ALA 779 N -2.24 2.66 -2.20 5.18 0.00 -1.26 -4.67 120.51 117.98 3fg4 n ALA 779 Ca -0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 3fg4 n ALA 779 Cb 0.20 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 3fg4 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s HIS 780 N -2.59 3.40 0.39 0.00 5.04 -0.13 -0.12 115.29 121.27 3fg4 s HIS 780 Ca 0.26 1.30 0.13 0.00 -1.54 0.00 0.00 55.06 55.21 3fg4 s HIS 780 Cb 0.20 -3.47 0.94 0.00 0.04 0.00 0.00 32.58 30.29 3fg4 s HIS 780 CO 0.49 -1.43 1.87 -1.00 -2.34 0.00 0.00 174.74 172.33 3fg4 h PRO 781 N 6.03 0.54 0.00 2.88 0.13 -1.89 -1.76 132.00 137.93 3fg4 h PRO 781 Ca -0.43 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 3fg4 h PRO 781 Cb 1.21 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3fg4 h PRO 781 CO 0.79 0.35 -0.66 0.82 -0.23 0.00 0.00 178.00 179.07 3fg4 h ILE 782 N 0.55 1.43 -0.55 -3.56 1.08 -1.93 -1.69 117.51 112.84 3fg4 h ILE 782 Ca 0.44 -2.30 -0.05 0.00 -0.39 0.00 0.00 64.86 62.56 3fg4 h ILE 782 Cb 0.88 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 3fg4 h ILE 782 CO -0.18 0.65 0.15 0.15 -0.69 0.00 0.00 178.15 178.22 3fg4 h PHE 783 N 0.00 0.91 -0.50 1.37 3.57 -1.59 -1.24 116.94 119.45 3fg4 h PHE 783 Ca -0.01 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 3fg4 h PHE 783 Cb 1.20 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3fg4 h PHE 783 CO 0.00 0.78 0.02 0.87 -2.23 0.00 0.00 178.31 177.75 3fg4 h LYS 784 N 0.78 0.82 -0.20 1.11 1.57 -1.17 -1.53 116.57 117.95 3fg4 h LYS 784 Ca 0.18 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3fg4 h LYS 784 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3fg4 h LYS 784 CO -0.00 0.81 0.01 1.25 -0.57 0.00 0.00 179.45 180.95 3fg4 h LEU 785 N 0.77 0.33 0.00 2.94 5.85 -1.18 -3.30 115.31 120.72 3fg4 h LEU 785 Ca 0.15 -0.30 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 3fg4 h LEU 785 Cb 0.43 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3fg4 h LEU 785 CO 0.02 0.55 -0.91 -0.07 -0.34 0.00 0.00 178.44 177.69 3fg4 h LEU 786 N 0.11 0.00 -0.65 2.25 3.38 -1.06 -3.37 115.31 115.97 3fg4 h LEU 786 Ca 0.06 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.16 3fg4 h LEU 786 Cb 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 3fg4 h LEU 786 CO 0.01 0.57 0.13 -0.61 0.09 0.00 0.00 178.44 178.63 3fg4 h GLN 787 N 0.00 0.24 0.00 1.13 4.15 -1.36 0.22 115.11 119.49 3fg4 h GLN 787 Ca -0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3fg4 h GLN 787 Cb 1.49 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.13 3fg4 h GLN 787 CO 0.06 0.16 0.00 -1.00 -1.93 0.00 0.00 178.83 176.12 3fg4 h PRO 788 N 0.25 0.00 0.00 -2.39 0.13 -1.77 -2.96 132.00 125.26 3fg4 h PRO 788 Ca 0.35 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.19 3fg4 h PRO 788 Cb 0.56 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.64 3fg4 h PRO 788 CO -0.46 0.00 -1.90 0.72 -0.23 0.00 0.00 178.00 176.14 3fg4 n HIS 789 N -2.63 0.64 0.33 1.56 8.25 0.44 -4.17 115.22 119.64 3fg4 n HIS 789 Ca 0.02 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 3fg4 n HIS 789 Cb 0.29 -1.09 0.20 0.00 1.12 0.00 0.00 29.99 30.52 3fg4 n HIS 789 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3fg4 h ILE 790 N 0.00 0.00 -3.95 1.59 3.07 -0.68 -3.38 117.51 114.16 3fg4 h ILE 790 Ca -0.34 -0.83 -0.54 0.00 1.55 0.00 0.00 64.86 64.69 3fg4 h ILE 790 Cb 2.00 1.74 0.11 0.00 -0.27 0.00 0.00 36.82 40.39 3fg4 h ILE 790 CO 0.06 0.00 0.76 -0.47 -1.05 0.00 0.00 178.15 177.44 3fg4 s TYR 791 N -3.20 2.60 0.00 0.16 5.04 -1.13 -3.22 117.35 117.60 3fg4 s TYR 791 Ca 0.07 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 3fg4 s TYR 791 Cb 0.08 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.41 3fg4 s TYR 791 CO 0.67 -2.90 0.00 0.41 -1.34 0.00 0.00 175.55 172.39 3fg4 n GLY 792 N 0.50 3.08 0.32 8.97 0.00 -1.26 -4.16 105.19 112.63 3fg4 n GLY 792 Ca 0.01 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3fg4 n GLY 792 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fg4 h VAL 793 N 0.00 1.27 -0.59 1.61 3.04 -1.33 -0.16 116.25 120.09 3fg4 h VAL 793 Ca 0.00 -1.07 -0.10 0.00 -1.01 0.00 0.00 66.70 64.52 3fg4 h VAL 793 Cb 0.00 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 3fg4 h VAL 793 CO 0.00 0.40 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.88 3fg4 h LEU 794 N 1.04 1.02 0.26 3.16 3.38 -1.83 -0.93 115.31 121.40 3fg4 h LEU 794 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fg4 h LEU 794 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3fg4 h LEU 794 CO 0.02 1.07 -0.12 0.00 0.09 0.00 0.00 178.44 179.50 3fg4 h ALA 795 N 1.03 -0.34 -0.43 1.53 0.00 -1.43 -1.47 119.26 118.15 3fg4 h ALA 795 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3fg4 h ALA 795 Cb 0.56 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3fg4 h ALA 795 CO 0.03 -0.50 -0.13 0.97 0.00 0.00 0.00 179.25 179.62 3fg4 h ILE 796 N -0.74 1.26 -0.53 0.00 6.09 -1.05 -1.62 117.51 120.93 3fg4 h ILE 796 Ca -0.04 -1.20 -0.08 0.00 -1.37 0.00 0.00 64.86 62.18 3fg4 h ILE 796 Cb 0.49 1.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 3fg4 h ILE 796 CO 0.06 0.41 0.03 0.44 -3.07 0.00 0.00 178.15 176.01 3fg4 h ASP 797 N 0.70 0.85 -0.14 2.19 5.19 -1.21 0.39 116.42 124.39 3fg4 h ASP 797 Ca 0.12 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3fg4 h ASP 797 Cb 0.62 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3fg4 h ASP 797 CO 0.04 0.89 0.01 0.74 -3.12 0.00 0.00 179.24 177.81 3fg4 h THR 798 N 0.82 1.24 0.03 0.35 2.02 -1.02 0.40 112.91 116.75 3fg4 h THR 798 Ca 0.16 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3fg4 h THR 798 Cb 0.45 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 3fg4 h THR 798 CO 0.02 0.23 -0.29 0.40 0.37 0.00 0.00 175.52 176.24 3fg4 h ILE 799 N -0.00 0.35 -0.59 3.11 2.04 -1.06 -1.86 117.51 119.50 3fg4 h ILE 799 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 3fg4 h ILE 799 Cb 0.34 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 3fg4 h ILE 799 CO 0.01 0.00 0.05 1.23 0.00 0.00 0.00 178.15 179.44 3fg4 h GLY 800 N -0.46 0.68 1.93 5.37 0.00 -0.07 -2.14 103.07 108.37 3fg4 h GLY 800 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 3fg4 h GLY 800 CO -0.23 -0.16 -0.36 3.21 0.00 0.00 0.00 176.54 179.00 3fg4 h ARG 801 N 0.17 0.09 -0.55 4.80 3.08 -0.53 -3.25 114.38 118.19 3fg4 h ARG 801 Ca 0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3fg4 h ARG 801 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3fg4 h ARG 801 CO -0.46 0.44 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 3fg4 n LYS 802 N -4.10 3.19 -2.15 0.04 5.02 -0.73 -4.50 118.16 114.93 3fg4 n LYS 802 Ca -0.02 -2.61 -0.02 0.00 -2.02 0.00 0.00 58.31 53.65 3fg4 n LYS 802 Cb 0.41 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 3fg4 n LYS 802 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3fg4 n GLU 803 N 0.91 0.62 0.00 1.97 0.28 -0.94 -5.03 120.64 118.44 3fg4 n GLU 803 Ca 0.21 -0.65 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 3fg4 n GLU 803 Cb 0.70 0.16 0.00 0.00 1.43 0.00 0.00 31.44 33.74 3fg4 n GLU 803 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3fg4 n SER 807 N -0.69 0.00 -0.09 -1.84 3.41 -1.26 -4.61 113.62 108.55 3fg4 n SER 807 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3fg4 n SER 807 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3fg4 n SER 807 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg4 n GLY 808 N 0.00 0.50 0.28 5.00 0.00 -1.26 -5.05 105.19 104.65 3fg4 n GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fg4 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 809 N 0.00 0.20 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.31 3fg4 n GLY 809 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fg4 n GLY 809 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fg4 n ILE 810 N -1.44 0.00 -0.16 -0.61 2.08 -1.26 -2.80 119.36 115.18 3fg4 n ILE 810 Ca 0.00 1.08 0.17 0.00 0.56 0.00 0.00 62.75 64.56 3fg4 n ILE 810 Cb 0.00 -1.96 0.53 0.00 -0.75 0.00 0.00 39.64 37.46 3fg4 n ILE 810 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 3fg4 h VAL 811 N 0.00 0.77 0.00 1.39 3.04 -1.99 -3.30 116.25 116.16 3fg4 h VAL 811 Ca 0.00 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.51 3fg4 h VAL 811 Cb 0.00 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 3fg4 h VAL 811 CO 0.00 0.06 -0.30 0.44 -1.01 0.00 0.00 177.57 176.77 3fg4 h ASP 812 N 0.36 0.00 0.00 3.17 5.19 -1.84 -2.61 116.42 120.68 3fg4 h ASP 812 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3fg4 h ASP 812 Cb 0.94 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 3fg4 h ASP 812 CO -0.11 0.30 -1.01 0.00 -3.12 0.00 0.00 179.24 175.30 3fg4 n GLN 813 N -3.35 0.10 0.00 3.56 3.00 -1.12 -4.48 117.38 115.09 3fg4 n GLN 813 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3fg4 n GLN 813 Cb 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.27 3fg4 n GLN 813 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3fg4 n SER 814 N -1.51 1.10 -4.46 1.08 3.41 -1.16 -4.83 113.62 107.25 3fg4 n SER 814 Ca 0.04 -0.38 -0.30 0.00 -0.26 0.00 0.00 58.87 57.97 3fg4 n SER 814 Cb 0.33 0.97 -0.12 0.00 -0.26 0.00 0.00 64.21 65.13 3fg4 n SER 814 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fg4 s LEU 815 N -2.17 2.62 0.27 1.04 1.43 -0.99 -4.25 118.68 116.62 3fg4 s LEU 815 Ca 0.00 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3fg4 s LEU 815 Cb 0.00 -1.51 0.39 0.00 0.03 0.00 0.00 46.19 45.10 3fg4 s LEU 815 CO 0.00 0.22 1.90 0.28 0.23 0.00 0.00 176.35 178.97 3fg4 h SER 816 N 4.16 1.06 -0.01 2.29 0.02 -1.64 -1.84 113.55 117.58 3fg4 h SER 816 Ca -0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3fg4 h SER 816 Cb 1.16 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3fg4 h SER 816 CO 0.46 0.70 0.00 0.18 -1.14 0.00 0.00 176.83 177.03 3fg4 n LEU 817 N -4.47 0.12 -4.54 5.07 4.32 -1.26 -0.83 117.00 115.40 3fg4 n LEU 817 Ca 0.14 -0.05 -0.33 0.00 -0.02 0.00 0.00 56.01 55.76 3fg4 n LEU 817 Cb 0.14 -0.01 0.13 0.00 -1.62 0.00 0.00 43.42 42.07 3fg4 n LEU 817 CO 0.33 0.02 0.31 0.61 -1.22 0.00 0.00 177.39 177.44 3fg4 n GLY 818 N 0.87 -1.12 0.46 -0.72 0.00 -0.69 -0.83 105.19 103.15 3fg4 n GLY 818 Ca 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3fg4 n GLY 818 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 819 N 1.00 0.59 0.00 -0.02 0.00 -1.26 -3.36 105.19 102.14 3fg4 n GLY 819 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fg4 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 820 N -2.00 3.26 0.31 -0.02 0.00 -1.25 -4.95 105.19 100.53 3fg4 n GLY 820 Ca 0.00 -0.57 0.20 0.00 0.00 0.00 0.00 46.02 45.65 3fg4 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg4 h GLY 821 N 0.00 0.00 1.06 -0.02 0.00 -1.62 -2.67 103.07 99.82 3fg4 h GLY 821 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3fg4 h GLY 821 CO 0.00 0.00 0.20 1.12 0.00 0.00 0.00 176.54 177.86 3fg4 h HIS 822 N 0.00 1.19 -0.17 5.60 2.07 -1.22 -0.82 115.15 121.81 3fg4 h HIS 822 Ca -0.00 -0.13 -0.02 0.00 -2.85 0.00 0.00 60.37 57.37 3fg4 h HIS 822 Cb 0.23 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 29.86 3fg4 h HIS 822 CO 0.00 0.95 0.03 0.28 -3.07 0.00 0.00 177.93 176.12 3fg4 h VAL 823 N 1.09 1.22 -0.96 6.12 2.07 -1.78 -1.56 116.25 122.46 3fg4 h VAL 823 Ca 0.23 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3fg4 h VAL 823 Cb 0.34 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3fg4 h VAL 823 CO -0.00 0.22 0.64 0.74 0.02 0.00 0.00 177.57 179.18 3fg4 h THR 824 N 0.07 1.22 -0.17 2.57 2.02 -1.55 -0.88 112.91 116.19 3fg4 h THR 824 Ca 0.05 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3fg4 h THR 824 Cb 0.31 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3fg4 h THR 824 CO 0.00 0.23 0.08 0.15 0.37 0.00 0.00 175.52 176.36 3fg4 h PHE 825 N 1.28 0.24 -0.65 3.16 3.57 -1.02 0.18 116.94 123.70 3fg4 h PHE 825 Ca 0.36 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3fg4 h PHE 825 Cb -0.10 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3fg4 h PHE 825 CO -0.00 0.28 0.31 0.52 -2.23 0.00 0.00 178.31 177.18 3fg4 h MET 826 N 0.14 0.92 -0.19 1.11 2.86 -0.76 0.28 114.93 119.28 3fg4 h MET 826 Ca 0.06 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3fg4 h MET 826 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3fg4 h MET 826 CO -0.01 0.71 0.13 0.93 1.06 0.00 0.00 176.91 179.73 3fg4 h GLU 827 N 0.91 0.26 -0.53 1.72 5.08 -0.95 0.43 114.58 121.50 3fg4 h GLU 827 Ca 0.22 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3fg4 h GLU 827 Cb 0.10 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3fg4 h GLU 827 CO -0.03 0.17 0.22 -0.22 -1.00 0.00 0.00 179.01 178.15 3fg4 h LYS 828 N 0.26 0.40 -0.43 2.33 3.64 -0.10 -1.61 116.57 121.07 3fg4 h LYS 828 Ca 0.07 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3fg4 h LYS 828 Cb -0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3fg4 h LYS 828 CO -0.02 0.27 -0.11 0.00 -2.27 0.00 0.00 179.45 177.32 3fg4 h PHE 830 N 0.66 0.67 -0.58 0.00 3.57 0.19 -0.00 116.94 121.46 3fg4 h PHE 830 Ca 0.11 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.79 3fg4 h PHE 830 Cb 0.65 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3fg4 h PHE 830 CO 0.05 0.43 0.64 0.87 -2.23 0.00 0.00 178.31 178.07 3fg4 h LYS 831 N 0.72 0.00 -0.00 1.11 1.57 -1.20 -1.89 116.57 116.88 3fg4 h LYS 831 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fg4 h LYS 831 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3fg4 h LYS 831 CO -0.04 0.00 -0.75 0.39 -0.57 0.00 0.00 179.45 178.48 3fg4 n GLU 832 N -3.59 0.98 -2.13 3.15 -0.58 -0.02 -1.35 120.64 117.08 3fg4 n GLU 832 Ca 0.12 -0.27 -0.38 0.00 -0.42 0.00 0.00 57.16 56.20 3fg4 n GLU 832 Cb 0.85 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 30.33 3fg4 n GLU 832 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3fg4 s VAL 833 N -2.62 2.81 -0.00 2.62 -7.23 -0.71 -4.97 120.40 110.29 3fg4 s VAL 833 Ca 0.10 0.67 0.01 0.00 -1.81 0.00 0.00 61.98 60.96 3fg4 s VAL 833 Cb 0.15 -3.38 -0.00 0.00 0.56 0.00 0.00 36.38 33.71 3fg4 s VAL 833 CO 0.69 0.06 -0.04 0.21 -0.31 0.00 0.00 175.10 175.71 3fg4 s ASN 834 N -1.00 0.51 0.45 4.85 2.47 -1.26 -4.20 114.94 116.76 3fg4 s ASN 834 Ca 0.60 -0.10 0.21 0.00 0.42 0.00 0.00 52.86 53.99 3fg4 s ASN 834 Cb -0.34 -0.05 1.19 0.00 -1.45 0.00 0.00 41.25 40.60 3fg4 s ASN 834 CO 0.43 0.04 1.87 0.25 -3.72 0.00 0.00 177.10 175.97 3fg4 h LEU 835 N 5.97 0.29 -2.67 3.21 5.85 -1.27 0.65 115.31 127.34 3fg4 h LEU 835 Ca -0.27 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3fg4 h LEU 835 Cb 1.20 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3fg4 h LEU 835 CO 0.50 0.11 -0.00 1.56 -0.34 0.00 0.00 178.44 180.27 3fg4 h GLN 836 N 0.29 0.00 0.00 1.25 1.08 -1.85 -0.86 115.11 115.02 3fg4 h GLN 836 Ca 0.45 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 3fg4 h GLN 836 Cb 1.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3fg4 h GLN 836 CO -0.13 0.00 -0.05 -0.44 -0.95 0.00 0.00 178.83 177.26 3fg4 h ASP 837 N 0.00 0.00 -0.06 1.46 3.32 -1.27 -2.51 116.42 117.36 3fg4 h ASP 837 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 837 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fg4 h ASP 837 CO 0.00 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 3fg4 n TYR 838 N -3.32 0.06 -3.21 4.55 4.02 -0.33 -4.74 117.16 114.19 3fg4 n TYR 838 Ca -0.02 -0.03 -0.44 0.00 -0.01 0.00 0.00 57.90 57.40 3fg4 n TYR 838 Cb 0.20 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 3fg4 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg4 s HIS 839 N -1.94 3.09 0.04 -0.72 2.46 -0.95 -4.64 115.29 112.64 3fg4 s HIS 839 Ca 0.36 -0.63 -0.24 0.00 0.47 0.00 0.00 55.06 55.02 3fg4 s HIS 839 Cb 0.20 -3.46 -0.17 0.00 -0.13 0.00 0.00 32.58 29.02 3fg4 s HIS 839 CO 0.31 -0.98 1.53 1.25 -2.47 0.00 0.00 174.74 174.38 3fg4 h LEU 840 N 9.50 0.02 -0.97 8.88 5.85 -1.87 -0.07 115.31 136.66 3fg4 h LEU 840 Ca -0.28 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.25 3fg4 h LEU 840 Cb 1.10 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3fg4 h LEU 840 CO 0.95 0.24 0.63 -0.65 -0.34 0.00 0.00 178.44 179.28 3fg4 h PRO 841 N -0.20 1.21 -0.37 5.25 0.11 -1.97 0.32 132.00 136.35 3fg4 h PRO 841 Ca 0.01 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3fg4 h PRO 841 Cb 0.23 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3fg4 h PRO 841 CO 0.00 0.80 -0.32 -0.91 -0.21 0.00 0.00 178.00 177.36 3fg4 h ASN 842 N 1.24 0.85 -0.07 -2.05 -0.26 -1.87 -1.82 115.58 111.61 3fg4 h ASN 842 Ca 0.38 -0.36 -0.20 0.00 -0.56 0.00 0.00 56.30 55.57 3fg4 h ASN 842 Cb -0.03 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 36.99 3fg4 h ASN 842 CO -0.11 1.10 -0.67 0.00 -1.06 0.00 0.00 177.43 176.68 3fg4 h ALA 843 N 0.95 0.48 -0.51 -0.83 0.00 -0.66 -0.89 119.26 117.80 3fg4 h ALA 843 Ca 0.07 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3fg4 h ALA 843 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3fg4 h ALA 843 CO 0.08 0.70 0.07 -0.07 0.00 0.00 0.00 179.25 180.03 3fg4 h LEU 844 N 0.50 0.77 -0.13 0.00 3.38 -0.85 -0.50 115.31 118.48 3fg4 h LEU 844 Ca -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3fg4 h LEU 844 Cb 1.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3fg4 h LEU 844 CO 0.13 0.79 -0.09 0.50 0.09 0.00 0.00 178.44 179.86 3fg4 h LYS 845 N 0.77 0.29 -0.53 1.13 3.64 -1.24 -1.47 116.57 119.16 3fg4 h LYS 845 Ca 0.16 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fg4 h LYS 845 Cb 0.36 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3fg4 h LYS 845 CO 0.01 0.66 0.33 -0.22 -2.27 0.00 0.00 179.45 177.96 3fg4 h LYS 846 N -0.08 0.71 0.00 1.90 3.64 -1.10 -0.79 116.57 120.85 3fg4 h LYS 846 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fg4 h LYS 846 Cb 0.59 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3fg4 h LYS 846 CO 0.03 0.50 0.00 0.00 -2.27 0.00 0.00 179.45 177.71 3fg4 h ARG 847 N 0.71 0.00 -0.51 1.90 3.08 -1.02 -3.47 114.38 115.07 3fg4 h ARG 847 Ca 0.19 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3fg4 h ARG 847 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3fg4 h ARG 847 CO -0.04 0.00 -0.09 0.41 -1.07 0.00 0.00 179.97 179.18 3fg4 n GLY 848 N -0.47 0.24 0.10 0.04 0.00 -0.30 -1.15 105.19 103.65 3fg4 n GLY 848 Ca -0.00 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.37 3fg4 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg4 n VAL 849 N -3.95 1.73 0.52 1.61 0.24 -0.88 -4.32 118.33 113.29 3fg4 n VAL 849 Ca -0.04 -2.08 0.11 0.00 -2.04 0.00 0.00 64.34 60.29 3fg4 n VAL 849 Cb 0.51 -0.17 0.16 0.00 -1.47 0.00 0.00 33.84 32.87 3fg4 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg4 n ASP 850 N -1.32 3.18 -4.39 -1.34 5.75 -1.24 -4.84 116.55 112.36 3fg4 n ASP 850 Ca 0.15 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.55 3fg4 n ASP 850 Cb 0.64 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 3fg4 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg4 s ASP 851 N -1.58 5.96 0.50 -1.12 -1.08 -1.26 -4.92 116.67 113.16 3fg4 s ASP 851 Ca 0.33 -1.13 0.32 0.00 -0.52 0.00 0.00 52.55 51.55 3fg4 s ASP 851 Cb 0.20 -2.11 1.34 0.00 -1.46 0.00 0.00 42.92 40.89 3fg4 s ASP 851 CO 0.29 -0.50 1.95 -0.65 0.52 0.00 0.00 175.17 176.78 3fg4 h PRO 852 N 8.58 0.00 0.00 4.34 0.11 -1.89 0.20 132.00 143.34 3fg4 h PRO 852 Ca -0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3fg4 h PRO 852 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fg4 h PRO 852 CO 0.76 0.00 -0.50 0.66 -0.21 0.00 0.00 178.00 178.71 3fg4 h SER 853 N 0.00 0.00 0.12 -2.05 4.64 -2.00 -3.15 113.55 111.10 3fg4 h SER 853 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3fg4 h SER 853 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.50 3fg4 h SER 853 CO 0.00 0.50 -2.22 0.29 -0.87 0.00 0.00 176.83 174.53 3fg4 n LYS 854 N -3.47 0.68 -3.66 4.77 4.01 -0.78 -4.74 118.16 114.96 3fg4 n LYS 854 Ca 0.00 0.13 -0.29 0.00 -0.51 0.00 0.00 58.31 57.64 3fg4 n LYS 854 Cb 0.62 -1.60 -0.12 0.00 -0.51 0.00 0.00 35.03 33.41 3fg4 n LYS 854 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3fg4 s LEU 855 N -6.09 2.56 0.76 -0.35 2.96 0.62 -4.74 118.68 114.40 3fg4 s LEU 855 Ca -0.17 -2.75 -0.09 0.00 -0.22 0.00 0.00 54.13 50.90 3fg4 s LEU 855 Cb 0.07 -0.95 0.08 0.00 0.50 0.00 0.00 46.19 45.89 3fg4 s LEU 855 CO 0.76 -0.24 1.09 -2.16 -1.32 0.00 0.00 176.35 174.48 3fg4 s PRO 856 N 0.22 1.97 -0.95 0.98 0.04 -1.19 -4.28 135.00 131.80 3fg4 s PRO 856 Ca 0.20 -0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.02 3fg4 s PRO 856 Cb -0.19 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3fg4 s PRO 856 CO -0.04 -1.46 0.36 0.41 0.04 0.00 0.00 177.00 176.32 3fg4 n GLY 857 N -3.11 -0.05 3.01 0.56 0.00 -1.26 -4.93 105.19 99.41 3fg4 n GLY 857 Ca 0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3fg4 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg4 s PHE 858 N -2.92 3.35 -0.10 1.61 5.36 -1.26 -4.81 117.98 119.21 3fg4 s PHE 858 Ca 0.18 -3.00 0.14 0.00 -0.96 0.00 0.00 56.93 53.29 3fg4 s PHE 858 Cb -0.08 -2.99 -0.05 0.00 -0.34 0.00 0.00 43.02 39.56 3fg4 s PHE 858 CO 0.22 -0.76 1.19 1.88 -1.46 0.00 0.00 175.22 176.29 3fg4 h TYR 859 N 6.57 0.00 -0.78 10.12 -1.99 -1.94 -2.43 116.97 126.51 3fg4 h TYR 859 Ca -0.02 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.76 3fg4 h TYR 859 Cb 0.90 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.57 3fg4 h TYR 859 CO 0.63 0.62 0.49 -0.92 -0.00 0.00 0.00 178.16 178.98 3fg4 h TYR 860 N 0.00 0.91 0.09 4.88 3.20 -1.93 -1.93 116.97 122.19 3fg4 h TYR 860 Ca -0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3fg4 h TYR 860 Cb 1.53 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3fg4 h TYR 860 CO 0.00 0.50 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.88 3fg4 h ARG 861 N 0.93 -0.12 0.12 1.82 2.43 -1.81 -1.02 114.38 116.73 3fg4 h ARG 861 Ca 0.33 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3fg4 h ARG 861 Cb 0.08 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3fg4 h ARG 861 CO -0.14 0.22 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.04 3fg4 h ASP 862 N -0.47 -0.14 -0.38 -3.80 3.45 -1.36 -1.43 116.42 112.30 3fg4 h ASP 862 Ca -0.01 -0.10 -0.14 0.00 0.43 0.00 0.00 57.03 57.20 3fg4 h ASP 862 Cb 0.39 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3fg4 h ASP 862 CO 0.02 0.02 -0.32 0.44 -1.57 0.00 0.00 179.24 177.83 3fg4 h ASP 863 N -0.29 0.93 -0.60 6.45 3.32 -1.47 -2.42 116.42 122.34 3fg4 h ASP 863 Ca -0.02 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.63 3fg4 h ASP 863 Cb 0.23 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3fg4 h ASP 863 CO 0.03 1.19 0.34 1.23 -1.72 0.00 0.00 179.24 180.30 3fg4 h GLY 864 N 0.69 0.86 1.29 2.75 0.00 -1.03 -0.10 103.07 107.53 3fg4 h GLY 864 Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3fg4 h GLY 864 CO 0.08 0.17 -0.26 1.41 0.00 0.00 0.00 176.54 177.94 3fg4 h LEU 865 N 0.65 0.83 -0.39 3.11 3.38 -1.27 0.63 115.31 122.25 3fg4 h LEU 865 Ca 0.26 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3fg4 h LEU 865 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fg4 h LEU 865 CO -0.15 1.05 0.18 0.00 0.09 0.00 0.00 178.44 179.61 3fg4 h ALA 866 N 1.01 0.51 -0.29 1.53 0.00 -1.13 -1.86 119.26 119.03 3fg4 h ALA 866 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3fg4 h ALA 866 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fg4 h ALA 866 CO 0.07 0.09 -0.30 -0.07 0.00 0.00 0.00 179.25 179.03 3fg4 h LEU 867 N 0.49 0.61 0.06 0.00 3.38 -0.65 -2.43 115.31 116.78 3fg4 h LEU 867 Ca 0.13 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fg4 h LEU 867 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3fg4 h LEU 867 CO -0.01 0.88 -0.09 -0.25 0.09 0.00 0.00 178.44 179.06 3fg4 h TRP 868 N 0.51 -0.23 -0.71 1.13 2.91 0.50 -1.77 115.95 118.29 3fg4 h TRP 868 Ca 0.06 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.18 3fg4 h TRP 868 Cb 0.78 0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.45 3fg4 h TRP 868 CO 0.03 -0.14 0.35 1.49 -1.03 0.00 0.00 178.44 179.15 3fg4 h GLU 869 N -0.18 0.58 -0.52 2.65 4.81 -1.32 0.33 114.58 120.93 3fg4 h GLU 869 Ca 0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3fg4 h GLU 869 Cb 0.19 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3fg4 h GLU 869 CO -0.05 0.38 0.05 0.00 -0.73 0.00 0.00 179.01 178.67 3fg4 h ALA 870 N 1.43 0.69 -0.13 2.92 0.00 -1.03 -0.73 119.26 122.41 3fg4 h ALA 870 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3fg4 h ALA 870 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fg4 h ALA 870 CO -0.27 0.46 -0.16 0.82 0.00 0.00 0.00 179.25 180.09 3fg4 h ILE 871 N 0.75 1.36 -0.68 0.00 2.04 -0.98 -2.55 117.51 117.45 3fg4 h ILE 871 Ca 0.15 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.71 3fg4 h ILE 871 Cb 0.45 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 3fg4 h ILE 871 CO 0.02 0.39 0.40 -0.08 0.00 0.00 0.00 178.15 178.88 3fg4 h GLU 872 N -0.06 0.72 -0.56 2.37 4.81 -0.81 0.80 114.58 121.84 3fg4 h GLU 872 Ca 0.02 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3fg4 h GLU 872 Cb 0.70 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3fg4 h GLU 872 CO 0.04 0.48 0.24 1.15 -0.73 0.00 0.00 179.01 180.18 3fg4 h THR 873 N 0.74 1.22 -0.13 0.32 2.02 -1.04 -0.01 112.91 116.04 3fg4 h THR 873 Ca 0.30 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 3fg4 h THR 873 Cb 0.14 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3fg4 h THR 873 CO -0.16 0.26 -0.10 0.15 0.37 0.00 0.00 175.52 176.04 3fg4 h PHE 874 N 0.77 0.35 -0.40 3.16 3.57 -1.02 -1.06 116.94 122.30 3fg4 h PHE 874 Ca 0.19 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3fg4 h PHE 874 Cb 0.17 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3fg4 h PHE 874 CO 0.00 0.67 0.16 0.82 -2.23 0.00 0.00 178.31 177.73 3fg4 h ILE 875 N -0.07 1.16 -0.36 1.41 2.04 -0.66 -1.08 117.51 119.94 3fg4 h ILE 875 Ca 0.02 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3fg4 h ILE 875 Cb 0.60 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3fg4 h ILE 875 CO 0.03 0.19 0.24 1.23 0.00 0.00 0.00 178.15 179.83 3fg4 h GLY 876 N 0.72 0.51 1.13 5.37 0.00 -0.72 -1.57 103.07 108.52 3fg4 h GLY 876 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 3fg4 h GLY 876 CO -0.01 0.19 -0.02 0.83 0.00 0.00 0.00 176.54 177.53 3fg4 h GLU 877 N 0.49 1.03 -0.52 4.80 5.08 -0.52 -1.88 114.58 123.06 3fg4 h GLU 877 Ca 0.13 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3fg4 h GLU 877 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3fg4 h GLU 877 CO -0.03 1.02 0.23 0.82 -1.00 0.00 0.00 179.01 180.05 3fg4 h ILE 878 N 0.94 1.20 -0.46 3.13 1.08 -1.13 -3.03 117.51 119.24 3fg4 h ILE 878 Ca 0.16 -0.60 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3fg4 h ILE 878 Cb 0.57 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3fg4 h ILE 878 CO 0.03 0.23 0.29 0.40 -0.69 0.00 0.00 178.15 178.42 3fg4 h ILE 879 N 0.69 1.09 0.00 -0.67 2.04 -0.98 -2.39 117.51 117.29 3fg4 h ILE 879 Ca 0.18 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3fg4 h ILE 879 Cb 0.15 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3fg4 h ILE 879 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.24 3fg4 h ALA 880 N 1.18 1.00 0.04 1.87 0.00 -1.24 0.12 119.26 122.24 3fg4 h ALA 880 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3fg4 h ALA 880 Cb -0.04 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fg4 h ALA 880 CO -0.05 0.00 -0.76 0.82 0.00 0.00 0.00 179.25 179.26 3fg4 h ILE 881 N 0.00 1.42 0.00 0.00 2.04 -1.33 -3.40 117.51 116.23 3fg4 h ILE 881 Ca 0.00 -2.23 -0.11 0.00 1.00 0.00 0.00 64.86 63.52 3fg4 h ILE 881 Cb 0.26 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 3fg4 h ILE 881 CO 0.00 0.65 -1.94 0.49 0.00 0.00 0.00 178.15 177.35 3fg4 n PHE 882 N -4.12 0.00 -3.94 1.37 3.01 -0.89 -4.80 117.46 108.09 3fg4 n PHE 882 Ca -0.12 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.00 3fg4 n PHE 882 Cb 0.76 -0.56 -0.14 0.00 -0.01 0.00 0.00 39.48 39.53 3fg4 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg4 s TYR 883 N -2.95 3.20 -0.89 1.38 1.51 0.38 -4.87 117.35 115.10 3fg4 s TYR 883 Ca -0.07 -1.81 0.26 0.00 -1.01 0.00 0.00 57.07 54.44 3fg4 s TYR 883 Cb 0.09 -2.07 0.77 0.00 -0.11 0.00 0.00 41.96 40.64 3fg4 s TYR 883 CO 0.73 -0.79 1.63 1.63 -1.11 0.00 0.00 175.55 177.64 3fg4 n LYS 884 N 4.62 0.10 -3.83 -0.62 4.76 -1.26 -4.26 118.16 117.66 3fg4 n LYS 884 Ca -0.14 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.32 3fg4 n LYS 884 Cb 0.44 -1.58 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3fg4 n LYS 884 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3fg4 n ASN 885 N -1.73 -1.66 0.16 4.39 0.23 -1.26 -5.04 115.26 110.34 3fg4 n ASN 885 Ca 0.06 -1.84 0.01 0.00 -0.53 0.00 0.00 54.58 52.27 3fg4 n ASN 885 Cb 0.37 2.69 0.29 0.00 -2.08 0.00 0.00 39.78 41.04 3fg4 n ASN 885 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fg4 h ASP 886 N 1.93 0.05 -0.70 0.53 3.32 -1.93 -2.98 116.42 116.65 3fg4 h ASP 886 Ca -0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3fg4 h ASP 886 Cb 1.17 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3fg4 h ASP 886 CO 0.35 0.49 0.39 0.44 -1.72 0.00 0.00 179.24 179.19 3fg4 h ASP 887 N 0.04 0.87 -0.86 6.45 3.32 -1.96 -1.40 116.42 122.88 3fg4 h ASP 887 Ca 0.00 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.08 3fg4 h ASP 887 Cb 0.79 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 3fg4 h ASP 887 CO 0.06 0.70 0.56 0.44 -1.72 0.00 0.00 179.24 179.28 3fg4 h ASP 888 N 0.99 0.76 0.07 6.45 3.32 -1.93 0.14 116.42 126.23 3fg4 h ASP 888 Ca 0.25 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3fg4 h ASP 888 Cb 0.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3fg4 h ASP 888 CO -0.04 0.46 -0.04 0.58 -1.72 0.00 0.00 179.24 178.48 3fg4 h VAL 889 N 0.85 1.18 -0.44 -1.35 2.07 -1.36 -2.54 116.25 114.67 3fg4 h VAL 889 Ca 0.39 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3fg4 h VAL 889 Cb 0.39 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3fg4 h VAL 889 CO -0.16 0.24 0.29 0.11 0.02 0.00 0.00 177.57 178.07 3fg4 h LYS 890 N -0.55 0.37 0.00 1.57 1.57 -0.55 -2.46 116.57 116.53 3fg4 h LYS 890 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fg4 h LYS 890 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3fg4 h LYS 890 CO 0.02 0.25 -0.07 0.00 -0.57 0.00 0.00 179.45 179.07 3fg4 h ARG 891 N 0.38 0.00 -6.24 3.15 3.08 -0.70 -3.43 114.38 110.62 3fg4 h ARG 891 Ca 0.19 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.71 3fg4 h ARG 891 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 3fg4 h ARG 891 CO -0.04 0.00 1.15 0.34 -1.07 0.00 0.00 179.97 180.34 3fg4 s ASP 892 N -6.06 5.90 0.57 7.04 -1.08 -0.93 -4.83 116.67 117.28 3fg4 s ASP 892 Ca 0.07 -0.23 0.35 0.00 -0.52 0.00 0.00 52.55 52.22 3fg4 s ASP 892 Cb 0.06 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.49 3fg4 s ASP 892 CO 0.68 -2.00 2.04 -0.55 0.52 0.00 0.00 175.17 175.86 3fg4 h ASN 893 N 11.48 0.00 0.05 -0.34 7.08 -1.86 -2.40 115.58 129.58 3fg4 h ASN 893 Ca -0.27 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.95 3fg4 h ASN 893 Cb 1.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.32 3fg4 h ASN 893 CO 1.26 0.01 -0.02 -0.33 -2.08 0.00 0.00 177.43 176.27 3fg4 h GLU 894 N 0.00 -0.06 -0.10 4.14 5.08 -1.88 0.18 114.58 121.94 3fg4 h GLU 894 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3fg4 h GLU 894 Cb 0.44 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3fg4 h GLU 894 CO 0.00 0.57 0.01 0.97 -1.00 0.00 0.00 179.01 179.56 3fg4 h ILE 895 N -0.89 1.06 -0.23 3.13 6.09 -1.84 -0.75 117.51 124.07 3fg4 h ILE 895 Ca -0.01 -0.23 -0.06 0.00 -1.37 0.00 0.00 64.86 63.20 3fg4 h ILE 895 Cb 0.66 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 3fg4 h ILE 895 CO 0.01 0.08 -0.07 1.56 -3.07 0.00 0.00 178.15 176.65 3fg4 h GLN 896 N 0.13 0.46 0.00 2.19 1.08 -1.40 -2.43 115.11 115.14 3fg4 h GLN 896 Ca 0.03 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 3fg4 h GLN 896 Cb 0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3fg4 h GLN 896 CO 0.00 0.71 -0.31 0.77 -0.95 0.00 0.00 178.83 179.04 3fg4 h SER 897 N 0.19 0.00 0.37 1.46 0.02 -0.14 -1.84 113.55 113.61 3fg4 h SER 897 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3fg4 h SER 897 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3fg4 h SER 897 CO 0.03 0.31 -0.18 -0.25 -1.14 0.00 0.00 176.83 175.60 3fg4 h TRP 898 N 0.00 -0.46 -0.38 3.45 7.01 -0.99 0.37 115.95 124.95 3fg4 h TRP 898 Ca -0.00 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 3fg4 h TRP 898 Cb 0.75 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 3fg4 h TRP 898 CO 0.00 -0.15 -0.07 0.97 -2.79 0.00 0.00 178.44 176.40 3fg4 h ILE 899 N -0.78 1.27 -0.86 2.65 6.09 -1.41 -3.04 117.51 121.42 3fg4 h ILE 899 Ca -0.05 -1.13 0.08 0.00 -1.37 0.00 0.00 64.86 62.39 3fg4 h ILE 899 Cb 0.52 1.23 -0.07 0.00 0.47 0.00 0.00 36.82 38.97 3fg4 h ILE 899 CO 0.08 0.38 0.52 0.22 -3.07 0.00 0.00 178.15 176.28 3fg4 h TYR 900 N 0.53 0.95 -0.73 2.19 3.20 -1.38 0.10 116.97 121.84 3fg4 h TYR 900 Ca 0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3fg4 h TYR 900 Cb 0.58 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3fg4 h TYR 900 CO 0.05 0.43 0.37 0.22 -1.64 0.00 0.00 178.16 177.58 3fg4 h ASP 901 N 0.90 0.93 -0.00 -2.11 3.58 -0.80 0.23 116.42 119.15 3fg4 h ASP 901 Ca 0.40 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3fg4 h ASP 901 Cb 0.29 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3fg4 h ASP 901 CO -0.22 0.78 -0.04 0.58 -2.88 0.00 0.00 179.24 177.46 3fg4 h VAL 902 N 1.03 1.60 -0.97 2.25 2.07 -1.26 0.24 116.25 121.22 3fg4 h VAL 902 Ca 0.26 -1.83 0.17 0.00 0.82 0.00 0.00 66.70 66.12 3fg4 h VAL 902 Cb 0.08 2.83 -0.17 0.00 -1.52 0.00 0.00 31.29 32.51 3fg4 h VAL 902 CO -0.04 0.48 -0.32 -0.74 0.02 0.00 0.00 177.57 176.98 3fg4 h HIS 903 N -0.72 -0.81 0.14 1.57 -0.00 -0.57 0.27 115.15 115.02 3fg4 h HIS 903 Ca -0.00 0.10 -0.36 0.00 -0.00 0.00 0.00 60.37 60.10 3fg4 h HIS 903 Cb 0.81 0.50 -0.01 0.00 -0.00 0.00 0.00 27.41 28.71 3fg4 h HIS 903 CO 0.19 -0.41 -1.91 -0.22 -0.00 0.00 0.00 177.93 175.58 3fg4 h LYS 904 N -0.01 0.30 0.00 5.26 1.63 -0.51 -3.41 116.57 119.83 3fg4 h LYS 904 Ca 0.40 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3fg4 h LYS 904 Cb 0.65 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3fg4 h LYS 904 CO -0.98 1.24 -0.71 0.09 -3.45 0.00 0.00 179.45 175.65 3fg4 n ASN 905 N -3.54 2.33 0.00 4.20 4.13 0.80 -4.67 115.26 118.50 3fg4 n ASN 905 Ca -0.30 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.69 3fg4 n ASN 905 Cb 1.05 1.09 0.00 0.00 -1.54 0.00 0.00 39.78 40.38 3fg4 n ASN 905 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fg4 n GLY 906 N 1.74 1.70 3.32 7.41 0.00 -0.01 -4.28 105.19 115.07 3fg4 n GLY 906 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3fg4 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg4 n TRP 907 N -0.45 5.18 -2.30 1.61 7.02 -0.63 0.18 117.44 128.06 3fg4 n TRP 907 Ca 0.00 -3.91 -0.42 0.00 -1.02 0.00 0.00 57.50 52.15 3fg4 n TRP 907 Cb 0.00 -1.67 -0.03 0.00 -2.42 0.00 0.00 31.31 27.19 3fg4 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg4 s ARG 908 N -1.33 4.39 -1.11 -0.99 0.52 -1.26 -4.83 118.95 114.34 3fg4 s ARG 908 Ca 0.31 1.93 -0.21 0.00 -0.52 0.00 0.00 55.73 57.24 3fg4 s ARG 908 Cb -0.10 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.14 3fg4 s ARG 908 CO -0.08 -0.31 1.59 0.08 0.02 0.00 0.00 175.30 176.60 3fg4 s VAL 909 N 0.86 3.95 0.75 3.52 1.01 -1.26 -4.97 120.40 124.26 3fg4 s VAL 909 Ca 0.60 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3fg4 s VAL 909 Cb -0.33 -5.04 0.13 0.00 0.00 0.00 0.00 36.38 31.13 3fg4 s VAL 909 CO 0.31 -1.89 1.04 0.20 0.00 0.00 0.00 175.10 174.76 3fg4 s ASN 910 N 4.92 4.23 0.26 3.32 0.01 -1.26 -4.93 114.94 121.49 3fg4 s ASN 910 Ca 0.51 -0.15 -0.31 0.00 -0.71 0.00 0.00 52.86 52.20 3fg4 s ASN 910 Cb 0.01 -0.23 -0.12 0.00 0.41 0.00 0.00 41.25 41.32 3fg4 s ASN 910 CO -0.03 -1.94 1.65 -2.65 -1.51 0.00 0.00 177.10 172.62 3fg4 n PRO 911 N -2.98 2.74 -0.50 -0.60 -0.02 -1.26 -1.51 135.00 130.89 3fg4 n PRO 911 Ca 0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 3fg4 n PRO 911 Cb 0.60 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3fg4 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg4 n GLY 912 N 2.85 0.75 3.86 -1.23 0.00 -1.26 -5.06 105.19 105.10 3fg4 n GLY 912 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3fg4 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 913 N -2.35 3.44 0.74 1.61 3.76 -0.57 -4.93 115.29 117.00 3fg4 s HIS 913 Ca 0.00 0.30 -0.13 0.00 -0.15 0.00 0.00 55.06 55.08 3fg4 s HIS 913 Cb 0.00 -1.79 0.05 0.00 1.11 0.00 0.00 32.58 31.94 3fg4 s HIS 913 CO 0.00 0.61 1.12 -0.65 -0.85 0.00 0.00 174.74 174.97 3fg4 s GLN 914 N -1.85 2.28 0.16 1.40 -1.52 -0.46 -4.87 119.66 114.80 3fg4 s GLN 914 Ca 0.25 1.37 -0.33 0.00 -1.95 0.00 0.00 55.36 54.71 3fg4 s GLN 914 Cb -0.12 -1.89 -0.16 0.00 -0.22 0.00 0.00 33.01 30.62 3fg4 s GLN 914 CO 0.17 -1.65 1.06 -3.47 -0.25 0.00 0.00 175.29 171.14 3fg4 n ASP 915 N -3.12 0.82 -0.73 5.90 2.03 -1.26 -4.87 116.55 115.33 3fg4 n ASP 915 Ca 0.10 1.14 0.11 0.00 0.52 0.00 0.00 54.79 56.67 3fg4 n ASP 915 Cb 0.52 -1.15 0.32 0.00 -0.72 0.00 0.00 41.12 40.09 3fg4 n ASP 915 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3fg4 n HIS 916 N 1.22 0.30 -1.18 -0.67 8.25 -1.26 -4.61 115.22 117.27 3fg4 n HIS 916 Ca 0.16 -0.15 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3fg4 n HIS 916 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3fg4 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg4 n GLY 917 N 1.24 0.80 3.58 -1.41 0.00 -1.26 -0.99 105.19 107.15 3fg4 n GLY 917 Ca 0.17 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3fg4 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg4 s VAL 918 N -2.02 5.07 0.71 1.61 1.01 -1.26 -4.42 120.40 121.10 3fg4 s VAL 918 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 3fg4 s VAL 918 Cb 0.00 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3fg4 s VAL 918 CO 0.00 -0.07 1.23 -2.16 0.00 0.00 0.00 175.10 174.10 3fg4 s PRO 919 N 2.28 2.23 0.41 2.72 0.05 -1.26 -4.75 135.00 136.67 3fg4 s PRO 919 Ca 0.18 1.84 0.22 0.00 0.05 0.00 0.00 61.00 63.28 3fg4 s PRO 919 Cb -0.16 -1.83 0.34 0.00 0.05 0.00 0.00 34.50 32.90 3fg4 s PRO 919 CO 0.12 -1.79 1.59 0.00 0.05 0.00 0.00 177.00 176.97 3fg4 h ALA 920 N -0.09 0.92 -2.94 8.56 0.00 -1.96 -3.40 119.26 120.35 3fg4 h ALA 920 Ca -0.48 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3fg4 h ALA 920 Cb 1.31 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3fg4 h ALA 920 CO 0.50 0.16 0.06 -1.54 0.00 0.00 0.00 179.25 178.44 3fg4 s SER 921 N -6.25 0.06 -0.08 0.00 1.04 -1.26 -3.84 113.70 103.38 3fg4 s SER 921 Ca 0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3fg4 s SER 921 Cb 0.06 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 3fg4 s SER 921 CO 0.68 -1.37 -0.07 -0.36 0.98 0.00 0.00 173.24 173.11 3fg4 s PHE 922 N -3.38 2.95 -0.02 5.02 0.40 -1.26 -5.01 117.98 116.69 3fg4 s PHE 922 Ca 0.19 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.55 3fg4 s PHE 922 Cb -0.03 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 3fg4 s PHE 922 CO 0.11 0.30 0.08 0.39 0.70 0.00 0.00 175.22 176.80 3fg4 n GLU 923 N 2.34 0.55 -4.03 0.44 -0.58 -1.26 -4.26 120.64 113.83 3fg4 n GLU 923 Ca -0.18 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.43 3fg4 n GLU 923 Cb 0.53 -1.05 -0.07 0.00 -0.57 0.00 0.00 31.44 30.27 3fg4 n GLU 923 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fg4 s SER 924 N -2.33 0.05 0.23 1.62 1.04 -1.26 -4.72 113.70 108.34 3fg4 s SER 924 Ca -0.01 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.36 3fg4 s SER 924 Cb 0.02 0.45 0.24 0.00 0.10 0.00 0.00 66.02 66.83 3fg4 s SER 924 CO 0.15 -0.92 1.72 0.03 0.98 0.00 0.00 173.24 175.20 3fg4 h ARG 925 N 2.52 0.91 -0.09 4.02 3.08 -1.89 -2.62 114.38 120.31 3fg4 h ARG 925 Ca -0.32 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.33 3fg4 h ARG 925 Cb 1.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3fg4 h ARG 925 CO 0.47 0.89 -0.61 1.05 -1.07 0.00 0.00 179.97 180.70 3fg4 h GLU 926 N 0.85 0.31 -0.06 0.04 9.09 -1.98 0.42 114.58 123.24 3fg4 h GLU 926 Ca 0.16 -0.22 -0.20 0.00 0.05 0.00 0.00 59.36 59.15 3fg4 h GLU 926 Cb 0.47 0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3fg4 h GLU 926 CO 0.02 0.83 -0.80 0.37 0.05 0.00 0.00 179.01 179.47 3fg4 h GLN 927 N 0.23 0.46 -0.21 1.06 4.15 -1.97 -1.87 115.11 116.97 3fg4 h GLN 927 Ca -0.01 -0.41 -0.12 0.00 0.77 0.00 0.00 58.65 58.88 3fg4 h GLN 927 Cb 1.13 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 3fg4 h GLN 927 CO 0.10 1.06 -0.34 1.25 -1.93 0.00 0.00 178.83 178.97 3fg4 h LEU 928 N 0.30 0.65 -1.04 -2.39 5.85 -0.99 -2.21 115.31 115.49 3fg4 h LEU 928 Ca -0.05 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.27 3fg4 h LEU 928 Cb 1.41 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 3fg4 h LEU 928 CO 0.14 1.06 0.63 0.50 -0.34 0.00 0.00 178.44 180.42 3fg4 h LYS 929 N 0.27 0.92 0.00 1.25 3.64 -0.08 -2.01 116.57 120.56 3fg4 h LYS 929 Ca 0.02 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fg4 h LYS 929 Cb 0.92 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3fg4 h LYS 929 CO 0.08 0.61 -0.00 1.49 -2.27 0.00 0.00 179.45 179.35 3fg4 h GLU 930 N 0.94 -0.00 -0.65 1.90 4.81 -0.98 -0.98 114.58 119.63 3fg4 h GLU 930 Ca 0.50 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.66 3fg4 h GLU 930 Cb 0.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3fg4 h GLU 930 CO -0.27 0.38 0.12 0.28 -0.73 0.00 0.00 179.01 178.78 3fg4 h VAL 931 N -0.38 1.26 -0.22 0.32 2.07 -1.26 -1.96 116.25 116.07 3fg4 h VAL 931 Ca -0.00 -1.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.33 3fg4 h VAL 931 Cb 0.38 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3fg4 h VAL 931 CO 0.00 0.38 -0.58 -0.07 0.02 0.00 0.00 177.57 177.31 3fg4 h LEU 932 N 0.98 0.80 -0.27 2.57 3.38 -1.31 -2.33 115.31 119.13 3fg4 h LEU 932 Ca 0.20 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3fg4 h LEU 932 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fg4 h LEU 932 CO 0.01 1.21 0.17 0.74 0.09 0.00 0.00 178.44 180.65 3fg4 h THR 933 N 0.54 1.10 -0.40 0.22 2.02 -1.13 0.43 112.91 115.68 3fg4 h THR 933 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.02 3fg4 h THR 933 Cb 1.17 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3fg4 h THR 933 CO 0.12 0.09 0.09 0.28 0.37 0.00 0.00 175.52 176.48 3fg4 h SER 934 N 0.35 0.04 0.40 4.18 0.02 -1.26 0.26 113.55 117.53 3fg4 h SER 934 Ca 0.10 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3fg4 h SER 934 Cb 0.01 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3fg4 h SER 934 CO -0.02 0.06 -0.19 0.25 -1.14 0.00 0.00 176.83 175.79 3fg4 h LEU 935 N 0.23 -0.45 -1.41 5.07 5.85 -1.21 -0.77 115.31 122.61 3fg4 h LEU 935 Ca 0.19 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3fg4 h LEU 935 Cb 0.21 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3fg4 h LEU 935 CO -0.24 -0.16 0.22 0.58 -0.34 0.00 0.00 178.44 178.51 3fg4 h VAL 936 N -0.76 1.15 -0.20 1.05 2.07 -0.74 -0.92 116.25 117.91 3fg4 h VAL 936 Ca -0.05 -0.41 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 3fg4 h VAL 936 Cb 0.52 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3fg4 h VAL 936 CO 0.09 0.17 -0.59 0.15 0.02 0.00 0.00 177.57 177.41 3fg4 h PHE 937 N 0.63 0.99 -0.00 1.57 3.57 -0.87 -2.83 116.94 119.99 3fg4 h PHE 937 Ca 0.16 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3fg4 h PHE 937 Cb 0.06 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3fg4 h PHE 937 CO 0.00 1.20 0.00 1.15 -2.23 0.00 0.00 178.31 178.44 3fg4 h THR 938 N 0.49 1.02 -0.91 4.41 2.02 -0.70 -0.10 112.91 119.14 3fg4 h THR 938 Ca -0.02 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.16 3fg4 h THR 938 Cb 1.21 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 3fg4 h THR 938 CO 0.13 0.02 0.58 -0.26 0.37 0.00 0.00 175.52 176.35 3fg4 h PHE 939 N -0.02 1.07 0.00 3.16 0.05 -1.15 -1.76 116.94 118.30 3fg4 h PHE 939 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3fg4 h PHE 939 Cb 0.02 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.62 3fg4 h PHE 939 CO -0.07 0.56 0.00 -1.13 -0.18 0.00 0.00 178.31 177.49 3fg4 n SER 940 N -4.56 0.00 0.02 2.17 3.41 -1.07 -2.22 113.62 111.37 3fg4 n SER 940 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.63 3fg4 n SER 940 Cb 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3fg4 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg4 h GLN 942 N 0.04 0.19 -0.69 0.00 5.75 -1.14 0.13 115.11 119.39 3fg4 h GLN 942 Ca 0.02 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 3fg4 h GLN 942 Cb 0.01 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.46 3fg4 h GLN 942 CO -0.02 0.38 0.33 1.25 -2.65 0.00 0.00 178.83 178.12 3fg4 h HIS 943 N -0.03 0.58 0.04 3.99 2.76 -1.25 -1.87 115.15 119.37 3fg4 h HIS 943 Ca 0.04 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3fg4 h HIS 943 Cb 0.28 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3fg4 h HIS 943 CO 0.01 0.19 -0.02 0.00 -1.30 0.00 0.00 177.93 176.82 3fg4 h ALA 944 N 1.43 -0.05 -0.74 5.26 0.00 -0.72 -0.10 119.26 124.35 3fg4 h ALA 944 Ca 0.34 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3fg4 h ALA 944 Cb 0.38 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3fg4 h ALA 944 CO -0.28 -0.51 0.48 0.00 0.00 0.00 0.00 179.25 178.94 3fg4 h ALA 945 N 0.88 1.69 -0.00 0.00 0.00 -0.69 -1.01 119.26 120.12 3fg4 h ALA 945 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fg4 h ALA 945 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fg4 h ALA 945 CO 0.01 0.20 -0.72 1.33 0.00 0.00 0.00 179.25 180.07 3fg4 n VAL 946 N -4.48 0.00 -0.07 0.00 0.24 -0.73 -4.25 118.33 109.05 3fg4 n VAL 946 Ca 0.11 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 3fg4 n VAL 946 Cb 0.22 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 3fg4 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg4 n ASN 947 N -1.03 1.67 0.02 -1.34 2.85 -0.06 -4.65 115.26 112.72 3fg4 n ASN 947 Ca 0.06 0.28 0.10 0.00 -0.11 0.00 0.00 54.58 54.91 3fg4 n ASN 947 Cb 0.37 -0.63 0.41 0.00 1.24 0.00 0.00 39.78 41.17 3fg4 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg4 n PHE 948 N -4.15 0.15 1.32 1.20 3.01 -0.41 -1.96 117.46 116.63 3fg4 n PHE 948 Ca -0.19 0.06 0.12 0.00 1.01 0.00 0.00 57.45 58.45 3fg4 n PHE 948 Cb 0.50 -0.59 0.66 0.00 -0.01 0.00 0.00 39.48 40.04 3fg4 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg4 n SER 949 N -1.64 0.00 0.12 4.37 3.41 -1.25 -4.09 113.62 114.54 3fg4 n SER 949 Ca 0.04 -0.38 -0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3fg4 n SER 949 Cb 0.23 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3fg4 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg4 h GLN 950 N 0.00 0.00 0.05 4.33 4.20 -1.67 -2.95 115.11 119.07 3fg4 h GLN 950 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fg4 h GLN 950 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3fg4 h GLN 950 CO 0.00 0.65 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.57 3fg4 h LYS 951 N 0.00 -0.06 -0.15 1.46 3.11 -1.84 0.04 116.57 119.13 3fg4 h LYS 951 Ca -0.01 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3fg4 h LYS 951 Cb 1.42 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.65 3fg4 h LYS 951 CO 0.08 0.13 0.01 -0.44 -2.81 0.00 0.00 179.45 176.42 3fg4 h ASP 952 N -0.24 0.19 0.02 4.20 3.45 -1.84 -0.20 116.42 122.00 3fg4 h ASP 952 Ca -0.01 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.32 3fg4 h ASP 952 Cb 0.22 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 3fg4 h ASP 952 CO 0.01 0.23 -0.62 -0.74 -1.57 0.00 0.00 179.24 176.55 3fg4 h HIS 953 N 0.21 0.07 -0.00 4.55 2.76 -1.39 -3.36 115.15 117.99 3fg4 h HIS 953 Ca 0.05 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3fg4 h HIS 953 Cb 0.14 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3fg4 h HIS 953 CO 0.00 1.24 -0.57 0.66 -1.30 0.00 0.00 177.93 177.97 3fg4 n TYR 954 N -4.46 0.00 -0.24 5.26 0.53 -0.01 -4.26 117.16 113.98 3fg4 n TYR 954 Ca -0.20 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.70 3fg4 n TYR 954 Cb 0.61 0.00 0.14 0.00 -1.03 0.00 0.00 39.34 39.05 3fg4 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3fg4 h GLY 955 N 3.39 1.05 -7.37 2.72 0.00 -1.13 -3.31 103.07 98.42 3fg4 h GLY 955 Ca 0.00 -0.21 -0.73 0.00 0.00 0.00 0.00 47.33 46.39 3fg4 h GLY 955 CO 0.00 0.05 -0.38 -0.12 0.00 0.00 0.00 176.54 176.09 3fg4 s PHE 956 N -6.06 3.26 0.37 5.60 5.36 -1.26 -4.63 117.98 120.62 3fg4 s PHE 956 Ca -0.13 -1.03 0.05 0.00 -0.96 0.00 0.00 56.93 54.86 3fg4 s PHE 956 Cb 0.18 -3.03 0.72 0.00 -0.34 0.00 0.00 43.02 40.55 3fg4 s PHE 956 CO 0.76 -0.78 2.01 1.15 -1.46 0.00 0.00 175.22 176.89 3fg4 h THR 957 N 5.82 1.10 0.00 0.12 2.02 -1.86 -0.25 112.91 119.88 3fg4 h THR 957 Ca -0.27 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3fg4 h THR 957 Cb 1.10 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3fg4 h THR 957 CO 0.83 0.14 0.00 -0.65 0.37 0.00 0.00 175.52 176.21 3fg4 h PRO 958 N 0.76 0.00 0.00 6.66 0.11 -1.92 -0.95 132.00 136.65 3fg4 h PRO 958 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3fg4 h PRO 958 Cb 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3fg4 h PRO 958 CO -0.06 0.00 -0.07 -0.97 -0.21 0.00 0.00 178.00 176.69 3fg4 h ASN 959 N 0.00 0.00 0.00 -2.05 -0.73 -1.33 -3.39 115.58 108.08 3fg4 h ASN 959 Ca 0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 3fg4 h ASN 959 Cb 0.37 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.82 3fg4 h ASN 959 CO 0.00 0.07 -0.28 0.00 -0.37 0.00 0.00 177.43 176.84 3fg4 n ALA 960 N -2.26 -2.38 -1.65 1.57 0.00 -0.44 -5.01 120.51 110.34 3fg4 n ALA 960 Ca -0.02 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.16 3fg4 n ALA 960 Cb 0.18 -2.20 0.04 0.00 0.00 0.00 0.00 19.45 17.48 3fg4 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 961 N 0.42 2.85 0.00 0.00 0.04 -0.73 -4.88 135.00 132.70 3fg4 s PRO 961 Ca 0.29 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3fg4 s PRO 961 Cb 0.22 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3fg4 s PRO 961 CO -0.17 -1.28 0.14 0.00 0.04 0.00 0.00 177.00 175.73 3fg4 n ALA 962 N -1.87 1.77 -2.51 8.56 0.00 -1.26 -3.25 120.51 121.95 3fg4 n ALA 962 Ca 0.13 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 3fg4 n ALA 962 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 3fg4 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg4 s ILE 963 N -0.53 1.41 0.07 0.00 1.01 -1.26 -1.71 121.20 120.19 3fg4 s ILE 963 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.87 3fg4 s ILE 963 Cb 0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3fg4 s ILE 963 CO 0.00 0.31 -0.21 -0.76 0.00 0.00 0.00 174.94 174.29 3fg4 s LEU 964 N -0.63 2.23 0.00 2.97 1.43 -1.23 -3.55 118.68 119.89 3fg4 s LEU 964 Ca 0.06 -0.60 0.18 0.00 -1.03 0.00 0.00 54.13 52.75 3fg4 s LEU 964 Cb -0.07 -0.92 0.22 0.00 0.03 0.00 0.00 46.19 45.44 3fg4 s LEU 964 CO -0.00 0.11 1.15 0.54 0.23 0.00 0.00 176.35 178.38 3fg4 n ARG 965 N 1.48 1.80 -4.00 1.70 1.74 0.21 -1.25 116.66 118.33 3fg4 n ARG 965 Ca -0.18 -1.76 -0.08 0.00 -0.77 0.00 0.00 57.85 55.06 3fg4 n ARG 965 Cb 0.53 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 3fg4 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg4 s HIS 966 N -1.43 0.34 0.88 -1.55 3.76 -1.26 -4.84 115.29 111.19 3fg4 s HIS 966 Ca 0.25 -0.73 -0.12 0.00 -0.15 0.00 0.00 55.06 54.31 3fg4 s HIS 966 Cb 0.16 -0.25 0.12 0.00 1.11 0.00 0.00 32.58 33.72 3fg4 s HIS 966 CO 0.24 -0.33 1.09 -1.25 -0.85 0.00 0.00 174.74 173.64 3fg4 s PRO 967 N -2.85 1.38 0.81 8.40 0.04 -1.26 -4.80 135.00 136.72 3fg4 s PRO 967 Ca -0.03 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 3fg4 s PRO 967 Cb 0.00 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.79 3fg4 s PRO 967 CO -0.06 -2.14 1.09 -1.25 0.04 0.00 0.00 177.00 174.68 3fg4 s PRO 968 N -4.99 1.94 0.63 0.56 0.04 -1.26 -5.00 135.00 126.93 3fg4 s PRO 968 Ca 0.63 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 3fg4 s PRO 968 Cb -0.17 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3fg4 s PRO 968 CO 0.56 -1.75 1.08 -1.25 0.04 0.00 0.00 177.00 175.68 3fg4 s PRO 969 N -5.06 3.04 0.00 0.56 0.04 -1.26 -4.93 135.00 127.39 3fg4 s PRO 969 Ca 0.61 1.28 0.13 0.00 0.04 0.00 0.00 61.00 63.06 3fg4 s PRO 969 Cb -0.16 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.63 3fg4 s PRO 969 CO 0.55 -1.05 1.11 1.63 0.04 0.00 0.00 177.00 179.29 3fg4 n LYS 970 N -2.30 1.81 -3.84 4.56 5.02 -1.26 -4.75 118.16 117.41 3fg4 n LYS 970 Ca 0.09 -1.72 -0.07 0.00 -2.02 0.00 0.00 58.31 54.59 3fg4 n LYS 970 Cb 0.52 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 3fg4 n LYS 970 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3fg4 s LYS 971 N -1.08 1.71 0.60 1.97 -2.85 -1.26 -4.02 119.74 114.81 3fg4 s LYS 971 Ca 0.22 -0.94 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 3fg4 s LYS 971 Cb 0.13 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.50 3fg4 s LYS 971 CO 0.18 -0.78 0.90 0.15 0.10 0.00 0.00 175.35 175.90 3fg4 s LYS 972 N -3.84 2.83 0.00 1.78 1.02 -1.26 -4.49 119.74 115.78 3fg4 s LYS 972 Ca 0.11 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.02 3fg4 s LYS 972 Cb -0.05 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3fg4 s LYS 972 CO 0.06 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 3fg4 n GLY 973 N -2.59 0.46 0.13 -3.33 0.00 -1.26 -4.94 105.19 93.66 3fg4 n GLY 973 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3fg4 n GLY 973 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg4 h GLU 974 N 0.96 0.27 -6.66 1.61 5.08 -1.99 -3.49 114.58 110.36 3fg4 h GLU 974 Ca 0.00 -0.46 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 3fg4 h GLU 974 Cb 0.12 0.17 0.10 0.00 0.50 0.00 0.00 28.75 29.64 3fg4 h GLU 974 CO 0.00 1.22 0.55 0.00 -1.00 0.00 0.00 179.01 179.78 3fg4 n ALA 975 N -2.97 1.16 -2.27 3.43 0.00 -1.26 -4.97 120.51 113.63 3fg4 n ALA 975 Ca -0.26 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 3fg4 n ALA 975 Cb 0.95 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 3fg4 n ALA 975 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 976 N -0.57 1.08 0.29 0.00 -4.23 -1.26 -4.71 115.64 106.23 3fg4 s THR 976 Ca 0.62 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 3fg4 s THR 976 Cb -0.61 -1.77 0.34 0.00 1.34 0.00 0.00 72.50 71.80 3fg4 s THR 976 CO 0.56 -0.74 1.36 -0.11 -0.54 0.00 0.00 174.62 175.14 3fg4 n LEU 977 N -0.08 0.07 0.02 4.79 7.94 -1.26 -0.58 117.00 127.91 3fg4 n LEU 977 Ca -0.11 1.45 -0.19 0.00 -1.11 0.00 0.00 56.01 56.05 3fg4 n LEU 977 Cb 0.60 -0.61 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 3fg4 n LEU 977 CO 0.31 -1.54 0.16 -0.61 -1.11 0.00 0.00 177.39 174.61 3fg4 h GLN 978 N 0.00 0.40 -0.71 1.96 4.15 -1.95 0.59 115.11 119.55 3fg4 h GLN 978 Ca 0.61 -0.50 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3fg4 h GLN 978 Cb 1.45 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 29.27 3fg4 h GLN 978 CO -0.75 1.17 0.28 0.66 -1.93 0.00 0.00 178.83 178.27 3fg4 h SER 979 N -0.14 0.99 -0.47 -0.69 4.64 -1.73 -1.92 113.55 114.23 3fg4 h SER 979 Ca -0.10 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3fg4 h SER 979 Cb 1.46 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3fg4 h SER 979 CO 0.14 0.89 0.29 0.40 -0.87 0.00 0.00 176.83 177.68 3fg4 h ILE 980 N 1.02 1.14 0.00 0.95 2.04 -0.79 -2.22 117.51 119.66 3fg4 h ILE 980 Ca 0.24 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3fg4 h ILE 980 Cb 0.21 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3fg4 h ILE 980 CO -0.02 0.14 -0.09 -0.07 0.00 0.00 0.00 178.15 178.12 3fg4 h LEU 981 N 0.62 0.00 0.00 1.44 3.38 -0.31 -0.44 115.31 120.01 3fg4 h LEU 981 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fg4 h LEU 981 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3fg4 h LEU 981 CO -0.03 0.09 -0.63 -1.54 0.09 0.00 0.00 178.44 176.42 3fg4 n SER 982 N -3.87 0.61 0.02 -0.43 3.41 -0.77 -3.81 113.62 108.77 3fg4 n SER 982 Ca -0.02 -0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.36 3fg4 n SER 982 Cb 0.18 0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 64.26 3fg4 n SER 982 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3fg4 h THR 983 N 0.00 0.81 -4.25 6.66 2.02 -0.70 -3.42 112.91 114.04 3fg4 h THR 983 Ca 0.00 -2.53 -0.52 0.00 0.77 0.00 0.00 66.41 64.13 3fg4 h THR 983 Cb 0.65 2.57 0.17 0.00 -1.74 0.00 0.00 68.15 69.80 3fg4 h THR 983 CO 0.00 0.79 0.25 -0.76 0.37 0.00 0.00 175.52 176.17 3fg4 s LEU 984 N -6.84 2.84 0.45 2.58 1.43 -0.27 0.63 118.68 119.50 3fg4 s LEU 984 Ca -0.15 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 3fg4 s LEU 984 Cb 0.07 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3fg4 s LEU 984 CO 0.81 -2.77 0.89 -2.65 0.23 0.00 0.00 176.35 172.85 3fg4 n PRO 985 N -4.01 1.10 -0.83 1.29 -0.02 -1.23 -4.62 135.00 126.67 3fg4 n PRO 985 Ca 0.11 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 3fg4 n PRO 985 Cb 0.52 -1.93 0.21 0.00 -0.02 0.00 0.00 33.50 32.28 3fg4 n PRO 985 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fg4 s SER 986 N -0.86 1.92 0.41 2.55 1.04 -1.26 -4.75 113.70 112.74 3fg4 s SER 986 Ca 0.65 1.46 0.08 0.00 0.48 0.00 0.00 55.95 58.62 3fg4 s SER 986 Cb -0.55 -2.16 0.87 0.00 0.10 0.00 0.00 66.02 64.29 3fg4 s SER 986 CO 0.56 -3.61 2.04 0.07 0.98 0.00 0.00 173.24 173.27 3fg4 h LYS 987 N -2.22 0.54 0.09 4.02 2.10 -1.98 -1.54 116.57 117.58 3fg4 h LYS 987 Ca -0.57 -0.03 -0.27 0.00 -2.00 0.00 0.00 60.65 57.78 3fg4 h LYS 987 Cb 1.32 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3fg4 h LYS 987 CO 0.53 0.36 -1.26 0.66 -2.00 0.00 0.00 179.45 177.73 3fg4 h SER 988 N 0.55 0.31 -0.79 7.07 4.64 -1.98 -0.82 113.55 122.54 3fg4 h SER 988 Ca 0.19 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3fg4 h SER 988 Cb 0.07 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 3fg4 h SER 988 CO -0.05 1.29 0.33 1.56 -0.87 0.00 0.00 176.83 179.09 3fg4 h GLN 989 N 0.05 1.17 -0.24 4.77 4.20 -1.84 -1.18 115.11 122.05 3fg4 h GLN 989 Ca -0.13 -0.20 -0.19 0.00 0.06 0.00 0.00 58.65 58.18 3fg4 h GLN 989 Cb 1.94 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.53 3fg4 h GLN 989 CO 0.18 0.94 -0.61 0.00 -0.67 0.00 0.00 178.83 178.67 3fg4 h ALA 990 N 1.17 0.39 -0.48 3.87 0.00 -1.25 -1.19 119.26 121.78 3fg4 h ALA 990 Ca 0.27 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3fg4 h ALA 990 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fg4 h ALA 990 CO -0.02 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.15 3fg4 h ALA 991 N 0.63 0.61 -0.66 0.00 0.00 -1.11 -1.18 119.26 117.55 3fg4 h ALA 991 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fg4 h ALA 991 Cb 1.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3fg4 h ALA 991 CO 0.13 -0.04 0.16 0.87 0.00 0.00 0.00 179.25 180.37 3fg4 h LYS 992 N 0.55 1.05 -0.69 0.00 1.57 -1.12 -1.56 116.57 116.37 3fg4 h LYS 992 Ca 0.19 -0.25 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3fg4 h LYS 992 Cb 0.04 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 3fg4 h LYS 992 CO -0.10 0.94 0.29 0.00 -0.57 0.00 0.00 179.45 180.01 3fg4 h ALA 993 N 1.06 0.94 -0.68 3.86 0.00 -0.61 -1.15 119.26 122.68 3fg4 h ALA 993 Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3fg4 h ALA 993 Cb 0.36 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3fg4 h ALA 993 CO 0.00 -0.16 0.25 0.82 0.00 0.00 0.00 179.25 180.16 3fg4 h ILE 994 N 0.48 1.25 -0.29 0.00 2.04 -0.92 -1.39 117.51 118.68 3fg4 h ILE 994 Ca 0.36 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3fg4 h ILE 994 Cb 0.47 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3fg4 h ILE 994 CO -0.33 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.30 3fg4 h ALA 995 N 1.11 0.37 -0.58 1.87 0.00 -0.73 -0.05 119.26 121.25 3fg4 h ALA 995 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3fg4 h ALA 995 Cb 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3fg4 h ALA 995 CO -0.01 -0.10 0.27 1.15 0.00 0.00 0.00 179.25 180.55 3fg4 h THR 996 N 0.36 0.88 -0.34 0.00 2.02 -1.06 -1.83 112.91 112.94 3fg4 h THR 996 Ca 0.10 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 3fg4 h THR 996 Cb 0.05 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3fg4 h THR 996 CO -0.02 0.09 -0.00 0.58 0.37 0.00 0.00 175.52 176.54 3fg4 h VAL 997 N 0.50 1.26 -0.50 3.16 2.07 -0.69 -0.38 116.25 121.67 3fg4 h VAL 997 Ca 0.27 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.92 3fg4 h VAL 997 Cb 0.25 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 3fg4 h VAL 997 CO -0.23 0.32 -0.13 0.22 0.02 0.00 0.00 177.57 177.77 3fg4 h TYR 998 N 0.41 -0.29 -0.56 1.57 3.20 -0.55 -1.14 116.97 119.61 3fg4 h TYR 998 Ca 0.10 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3fg4 h TYR 998 Cb 0.46 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3fg4 h TYR 998 CO 0.04 -0.22 0.09 0.82 -1.64 0.00 0.00 178.16 177.24 3fg4 h ILE 999 N -0.01 1.26 0.00 1.81 2.04 -1.07 -2.90 117.51 118.64 3fg4 h ILE 999 Ca 0.24 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3fg4 h ILE 999 Cb 0.38 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3fg4 h ILE 999 CO -0.52 0.35 -0.06 -0.07 0.00 0.00 0.00 178.15 177.85 3fg4 h LEU 1000N 0.82 0.00 -2.85 1.44 3.38 -0.57 -3.19 115.31 114.34 3fg4 h LEU 1000Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fg4 h LEU 1000Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fg4 h LEU 1000CO 0.01 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.95 3fg4 n THR 1001N -3.13 0.96 -2.63 0.22 -2.24 -0.48 -4.87 114.28 102.11 3fg4 n THR 1001Ca 0.03 -0.98 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 3fg4 n THR 1001Cb 0.47 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3fg4 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg4 s LYS 1002N -0.99 3.73 0.18 -0.78 2.47 -1.10 -4.98 119.74 118.28 3fg4 s LYS 1002Ca 0.17 0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 54.84 3fg4 s LYS 1002Cb 0.09 -3.89 -0.08 0.00 -1.46 0.00 0.00 37.83 32.48 3fg4 s LYS 1002CO 0.12 -1.31 1.31 -0.06 0.16 0.00 0.00 175.35 175.56 3fg4 s PHE 1003N 4.28 3.27 0.42 4.03 0.40 -1.26 -5.00 117.98 124.12 3fg4 s PHE 1003Ca 0.46 1.20 -0.24 0.00 -0.60 0.00 0.00 56.93 57.76 3fg4 s PHE 1003Cb -0.08 -3.60 -0.08 0.00 0.51 0.00 0.00 43.02 39.77 3fg4 s PHE 1003CO 0.29 -1.89 1.13 0.45 0.70 0.00 0.00 175.22 175.91 3fg4 s SER 1004N 0.44 6.45 0.58 1.36 0.15 -1.26 -4.94 113.70 116.48 3fg4 s SER 1004Ca 0.57 2.23 0.34 0.00 0.70 0.00 0.00 55.95 59.79 3fg4 s SER 1004Cb -0.36 -2.60 1.77 0.00 -1.71 0.00 0.00 66.02 63.12 3fg4 s SER 1004CO 0.37 -0.72 2.17 1.05 1.20 0.00 0.00 173.24 177.31 3fg4 h GLU 1005N 2.35 0.00 -0.56 5.44 9.09 -1.96 -0.99 114.58 127.95 3fg4 h GLU 1005Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3fg4 h GLU 1005Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3fg4 h GLU 1005CO 0.61 0.05 0.00 -0.40 0.05 0.00 0.00 179.01 179.32 3fg4 n ASP 1006N -3.42 3.06 -4.69 3.06 5.75 -1.26 -5.01 116.55 114.04 3fg4 n ASP 1006Ca -0.02 -2.05 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 3fg4 n ASP 1006Cb 0.18 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3fg4 n ASP 1006CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3fg4 n GLU 1007N 1.06 2.01 -3.86 0.11 4.07 -0.38 -4.99 120.64 118.67 3fg4 n GLU 1007Ca 0.19 0.71 -0.35 0.00 -0.06 0.00 0.00 57.16 57.64 3fg4 n GLU 1007Cb 0.50 -2.33 -0.14 0.00 -0.06 0.00 0.00 31.44 29.41 3fg4 n GLU 1007CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3fg4 s ARG 1008N -2.01 3.42 0.53 5.31 0.52 -1.26 -5.06 118.95 120.40 3fg4 s ARG 1008Ca 0.58 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 3fg4 s ARG 1008Cb -0.54 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 31.85 3fg4 s ARG 1008CO 0.60 -0.21 0.75 0.71 0.02 0.00 0.00 175.30 177.18 3fg4 s TYR 1009N 1.51 2.97 -0.24 -0.53 1.51 -1.26 -0.90 117.35 120.41 3fg4 s TYR 1009Ca 0.06 0.08 -0.39 0.00 -1.01 0.00 0.00 57.07 55.81 3fg4 s TYR 1009Cb -0.15 -2.64 -0.15 0.00 -0.11 0.00 0.00 41.96 38.91 3fg4 s TYR 1009CO -0.01 -0.74 1.75 -0.11 -1.11 0.00 0.00 175.55 175.32 3fg4 n LEU 1010N -2.29 2.48 0.00 -1.29 7.94 0.23 -1.30 117.00 122.76 3fg4 n LEU 1010Ca 0.06 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3fg4 n LEU 1010Cb 0.59 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.37 3fg4 n LEU 1010CO 0.46 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 3fg4 n GLY 1011N 4.16 0.88 3.54 -3.96 0.00 -1.26 -4.91 105.19 103.64 3fg4 n GLY 1011Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3fg4 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg4 s ASN 1012N -2.90 6.16 -0.23 1.61 3.84 -0.42 -4.83 114.94 118.17 3fg4 s ASN 1012Ca 0.00 -0.52 0.14 0.00 0.21 0.00 0.00 52.86 52.69 3fg4 s ASN 1012Cb 0.00 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.78 3fg4 s ASN 1012CO 0.00 -1.79 1.56 -1.22 -2.79 0.00 0.00 177.10 172.86 3fg4 n TYR 1013N 9.17 1.46 0.32 0.43 4.01 -1.26 -4.68 117.16 126.61 3fg4 n TYR 1013Ca 0.02 -0.98 0.19 0.00 -0.16 0.00 0.00 57.90 56.98 3fg4 n TYR 1013Cb 0.49 -0.44 1.03 0.00 -0.31 0.00 0.00 39.34 40.11 3fg4 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg4 h SER 1014N 2.32 0.00 -0.31 7.72 4.64 -2.00 -1.88 113.55 124.04 3fg4 h SER 1014Ca 0.07 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 3fg4 h SER 1014Cb 1.74 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.65 3fg4 h SER 1014CO 0.39 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.72 3fg4 n ALA 1015N -2.06 4.24 -2.72 5.18 0.00 -1.26 -5.02 120.51 118.86 3fg4 n ALA 1015Ca -0.02 -3.51 -0.20 0.00 0.00 0.00 0.00 53.44 49.71 3fg4 n ALA 1015Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3fg4 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 1016N -3.81 4.56 -0.36 0.00 -4.23 -0.71 -4.97 115.64 106.13 3fg4 s THR 1016Ca 0.43 -1.08 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 3fg4 s THR 1016Cb 0.39 -3.58 0.66 0.00 1.34 0.00 0.00 72.50 71.31 3fg4 s THR 1016CO -0.02 -0.25 1.64 0.00 -0.54 0.00 0.00 174.62 175.44 3fg4 n ALA 1017N -1.46 4.17 -1.84 3.99 0.00 -1.26 -4.98 120.51 119.12 3fg4 n ALA 1017Ca -0.05 -1.90 -0.37 0.00 0.00 0.00 0.00 53.44 51.12 3fg4 n ALA 1017Cb 0.58 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 3fg4 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s TRP 1018N -2.60 3.71 0.00 0.00 0.52 -1.26 -4.85 118.94 114.46 3fg4 s TRP 1018Ca 0.47 1.72 0.00 0.00 0.02 0.00 0.00 56.10 58.31 3fg4 s TRP 1018Cb 0.37 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.82 3fg4 s TRP 1018CO 0.12 0.25 0.00 -1.91 0.02 0.00 0.00 176.95 175.44 3fg4 n GLU 1019N 0.67 2.25 -1.71 4.98 2.13 -1.26 -5.02 120.64 122.68 3fg4 n GLU 1019Ca 0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 3fg4 n GLU 1019Cb 0.50 -0.52 -0.03 0.00 0.27 0.00 0.00 31.44 31.66 3fg4 n GLU 1019CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fg4 n ASP 1020N -0.36 3.99 -0.18 4.31 9.92 -1.26 -4.88 116.55 128.09 3fg4 n ASP 1020Ca 0.00 1.04 -0.01 0.00 -0.53 0.00 0.00 54.79 55.28 3fg4 n ASP 1020Cb 0.01 -1.56 0.21 0.00 -0.64 0.00 0.00 41.12 39.14 3fg4 n ASP 1020CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3fg4 h LYS 1021N 7.34 0.93 -0.71 -1.24 6.56 -1.99 -1.18 116.57 126.27 3fg4 h LYS 1021Ca -0.44 -0.12 -0.05 0.00 -1.06 0.00 0.00 60.65 58.98 3fg4 h LYS 1021Cb 1.21 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 32.66 3fg4 h LYS 1021CO 0.95 0.71 0.25 -0.44 -2.06 0.00 0.00 179.45 178.87 3fg4 h ASP 1022N 0.93 1.01 -0.03 0.86 3.45 -2.00 -0.99 116.42 119.65 3fg4 h ASP 1022Ca 0.23 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 3fg4 h ASP 1022Cb 0.09 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3fg4 h ASP 1022CO -0.03 0.93 -0.22 0.00 -1.57 0.00 0.00 179.24 178.35 3fg4 h ALA 1023N 1.12 1.20 -0.18 3.45 0.00 -1.77 -1.50 119.26 121.58 3fg4 h ALA 1023Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3fg4 h ALA 1023Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fg4 h ALA 1023CO -0.01 0.52 -0.47 -0.07 0.00 0.00 0.00 179.25 179.21 3fg4 h LEU 1024N 0.38 0.50 -0.41 0.00 3.38 -0.63 -1.75 115.31 116.77 3fg4 h LEU 1024Ca 0.06 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3fg4 h LEU 1024Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3fg4 h LEU 1024CO 0.04 0.90 -0.05 0.44 0.09 0.00 0.00 178.44 179.86 3fg4 h ASP 1025N 0.37 0.76 -0.63 -0.43 3.32 -0.94 -2.28 116.42 116.58 3fg4 h ASP 1025Ca 0.02 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.77 3fg4 h ASP 1025Cb 0.97 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 3fg4 h ASP 1025CO 0.09 0.92 0.37 0.00 -1.72 0.00 0.00 179.24 178.89 3fg4 h ALA 1026N 0.87 0.83 -0.52 3.45 0.00 -1.11 -1.62 119.26 121.15 3fg4 h ALA 1026Ca 0.11 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3fg4 h ALA 1026Cb 0.56 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3fg4 h ALA 1026CO 0.03 0.09 0.24 0.82 0.00 0.00 0.00 179.25 180.44 3fg4 h ILE 1027N 0.72 0.92 -0.54 0.00 2.04 -1.25 -0.85 117.51 118.55 3fg4 h ILE 1027Ca 0.27 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3fg4 h ILE 1027Cb 0.08 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3fg4 h ILE 1027CO -0.13 0.09 0.30 0.78 0.00 0.00 0.00 178.15 179.18 3fg4 h ASN 1028N 0.47 0.46 -0.64 1.72 2.35 -0.90 0.12 115.58 119.16 3fg4 h ASN 1028Ca 0.24 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3fg4 h ASN 1028Cb 0.18 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3fg4 h ASN 1028CO -0.19 0.32 0.19 0.03 -1.65 0.00 0.00 177.43 176.13 3fg4 h ARG 1029N 0.59 1.00 -0.24 0.81 3.08 -0.89 -1.75 114.38 116.98 3fg4 h ARG 1029Ca 0.23 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3fg4 h ARG 1029Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3fg4 h ARG 1029CO -0.13 0.89 0.08 0.35 -1.07 0.00 0.00 179.97 180.09 3fg4 h PHE 1030N 0.93 0.39 -0.67 3.04 3.57 -0.36 -0.62 116.94 123.22 3fg4 h PHE 1030Ca 0.21 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3fg4 h PHE 1030Cb 0.31 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3fg4 h PHE 1030CO 0.02 0.44 0.24 1.96 -2.23 0.00 0.00 178.31 178.74 3fg4 h GLN 1031N 0.23 1.00 -0.30 1.11 4.20 -0.88 0.83 115.11 121.31 3fg4 h GLN 1031Ca 0.08 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 3fg4 h GLN 1031Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3fg4 h GLN 1031CO -0.00 0.84 -0.40 -0.44 -0.67 0.00 0.00 178.83 178.16 3fg4 h ASP 1032N 0.98 0.75 -0.52 1.46 3.32 -1.10 -2.04 116.42 119.26 3fg4 h ASP 1032Ca 0.22 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 3fg4 h ASP 1032Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fg4 h ASP 1032CO -0.01 1.06 0.07 0.50 -1.72 0.00 0.00 179.24 179.14 3fg4 h LYS 1033N 0.58 0.87 -0.07 3.56 1.63 -0.25 -1.96 116.57 120.94 3fg4 h LYS 1033Ca 0.05 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 3fg4 h LYS 1033Cb 0.93 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 3fg4 h LYS 1033CO 0.08 0.86 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.78 3fg4 h LEU 1034N 0.75 0.09 -0.30 5.20 3.38 -0.71 -0.80 115.31 122.92 3fg4 h LEU 1034Ca 0.16 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3fg4 h LEU 1034Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fg4 h LEU 1034CO 0.01 0.21 -0.28 -0.08 0.09 0.00 0.00 178.44 178.39 3fg4 h GLU 1035N 0.10 0.72 -0.66 1.13 4.81 -0.99 -0.13 114.58 119.56 3fg4 h GLU 1035Ca 0.02 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3fg4 h GLU 1035Cb 0.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3fg4 h GLU 1035CO 0.01 0.99 0.39 -0.44 -0.73 0.00 0.00 179.01 179.23 3fg4 h ASP 1036N 0.47 0.80 -0.68 1.04 3.32 -0.71 -1.93 116.42 118.74 3fg4 h ASP 1036Ca 0.05 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3fg4 h ASP 1036Cb 0.85 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3fg4 h ASP 1036CO 0.07 0.64 0.37 0.40 -1.72 0.00 0.00 179.24 178.99 3fg4 h ILE 1037N 0.90 1.21 -0.27 0.35 2.04 -0.90 -2.49 117.51 118.35 3fg4 h ILE 1037Ca 0.24 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3fg4 h ILE 1037Cb -0.01 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 3fg4 h ILE 1037CO -0.04 0.24 -0.06 0.28 0.00 0.00 0.00 178.15 178.56 3fg4 h SER 1038N 0.93 -0.23 -0.48 1.72 0.02 -0.79 -1.60 113.55 113.12 3fg4 h SER 1038Ca 0.24 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3fg4 h SER 1038Cb 0.05 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3fg4 h SER 1038CO -0.04 -0.08 0.31 0.11 -1.14 0.00 0.00 176.83 175.99 3fg4 h LYS 1039N 0.01 0.64 -0.81 3.45 6.56 -1.17 -1.58 116.57 123.67 3fg4 h LYS 1039Ca 0.13 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 3fg4 h LYS 1039Cb 0.19 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.67 3fg4 h LYS 1039CO -0.27 0.45 0.46 0.87 -2.06 0.00 0.00 179.45 178.90 3fg4 h LYS 1040N 0.65 1.12 -0.33 3.15 1.79 -1.29 0.54 116.57 122.20 3fg4 h LYS 1040Ca 0.18 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3fg4 h LYS 1040Cb -0.04 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 3fg4 h LYS 1040CO -0.04 0.81 0.09 0.82 -1.08 0.00 0.00 179.45 180.05 3fg4 h ILE 1041N 1.13 1.22 -0.49 1.86 2.04 -0.92 0.16 117.51 122.51 3fg4 h ILE 1041Ca 0.29 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3fg4 h ILE 1041Cb 0.00 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3fg4 h ILE 1041CO -0.05 0.24 0.06 0.11 0.00 0.00 0.00 178.15 178.51 3fg4 h LYS 1042N 0.37 0.82 -0.26 2.37 1.57 -0.83 0.20 116.57 120.81 3fg4 h LYS 1042Ca 0.10 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3fg4 h LYS 1042Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3fg4 h LYS 1042CO -0.00 0.84 0.14 1.96 -0.57 0.00 0.00 179.45 181.82 3fg4 h GLN 1043N 0.69 0.29 -0.25 3.15 4.20 -0.85 -1.31 115.11 121.04 3fg4 h GLN 1043Ca 0.15 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.89 3fg4 h GLN 1043Cb 0.43 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3fg4 h GLN 1043CO 0.01 0.19 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.17 3fg4 h ARG 1044N 0.30 -0.07 0.00 1.46 1.12 -0.21 -2.51 114.38 114.47 3fg4 h ARG 1044Ca 0.10 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 3fg4 h ARG 1044Cb 0.01 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 3fg4 h ARG 1044CO -0.06 -0.05 -0.02 -0.91 -3.11 0.00 0.00 179.97 175.83 3fg4 h ASN 1045N -0.07 0.00 0.37 -3.80 2.35 -0.38 -2.50 115.58 111.54 3fg4 h ASN 1045Ca 0.13 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3fg4 h ASN 1045Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3fg4 h ASN 1045CO -0.29 0.02 -0.30 -0.08 -1.65 0.00 0.00 177.43 175.12 3fg4 h GLU 1046N 0.00 0.00 -0.62 0.81 4.81 -0.77 -2.76 114.58 116.05 3fg4 h GLU 1046Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fg4 h GLU 1046Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3fg4 h GLU 1046CO 0.00 0.30 0.00 0.09 -0.73 0.00 0.00 179.01 178.67 3fg4 n ASN 1047N -4.03 5.04 -4.77 1.04 3.02 -0.94 -4.96 115.26 109.65 3fg4 n ASN 1047Ca -0.02 -2.60 -0.35 0.00 -0.03 0.00 0.00 54.58 51.58 3fg4 n ASN 1047Cb 0.36 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 3fg4 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 1048N -2.13 3.92 0.32 3.41 1.43 -1.04 -5.00 118.68 119.59 3fg4 s LEU 1048Ca 0.52 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3fg4 s LEU 1048Cb 0.36 -2.00 0.53 0.00 0.03 0.00 0.00 46.19 45.10 3fg4 s LEU 1048CO 0.22 0.37 1.92 -0.33 0.23 0.00 0.00 176.35 178.75 3fg4 h GLU 1049N 4.88 0.80 -3.49 1.70 5.08 -1.93 -3.37 114.58 118.26 3fg4 h GLU 1049Ca -0.52 -0.11 -0.57 0.00 -1.00 0.00 0.00 59.36 57.17 3fg4 h GLU 1049Cb 1.20 -0.15 -0.40 0.00 0.50 0.00 0.00 28.75 29.90 3fg4 h GLU 1049CO 0.57 0.64 -0.76 0.08 -1.00 0.00 0.00 179.01 178.54 3fg4 s VAL 1050N -5.43 0.72 0.50 3.13 1.01 -1.26 -5.11 120.40 113.95 3fg4 s VAL 1050Ca -0.10 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 3fg4 s VAL 1050Cb 0.16 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 3fg4 s VAL 1050CO 0.78 -0.58 1.03 -2.65 0.00 0.00 0.00 175.10 173.67 3fg4 n PRO 1051N 4.93 1.25 -3.73 2.72 -0.02 -1.26 -4.96 135.00 133.92 3fg4 n PRO 1051Ca -0.04 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 3fg4 n PRO 1051Cb 0.43 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 3fg4 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg4 s TYR 1052N -1.37 3.36 -0.76 6.00 5.04 -1.26 -4.97 117.35 123.39 3fg4 s TYR 1052Ca 0.68 -1.77 0.08 0.00 -2.44 0.00 0.00 57.07 53.62 3fg4 s TYR 1052Cb -0.49 -2.71 0.01 0.00 0.35 0.00 0.00 41.96 39.13 3fg4 s TYR 1052CO 0.53 -0.84 0.59 0.44 -1.34 0.00 0.00 175.55 174.93 3fg4 n ILE 1053N 4.77 0.00 0.34 3.14 -5.35 -1.26 -4.66 119.36 116.34 3fg4 n ILE 1053Ca -0.09 -0.44 0.13 0.00 -0.27 0.00 0.00 62.75 62.08 3fg4 n ILE 1053Cb 0.43 1.11 0.56 0.00 -1.74 0.00 0.00 39.64 40.00 3fg4 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg4 h TYR 1054N 1.00 0.00 -0.16 4.28 0.99 -1.94 -2.53 116.97 118.61 3fg4 h TYR 1054Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fg4 h TYR 1054Cb 0.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.00 3fg4 h TYR 1054CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3fg4 n LEU 1055N -2.41 2.87 -4.72 3.88 4.77 -1.26 -4.45 117.00 115.68 3fg4 n LEU 1055Ca 0.01 -2.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.00 3fg4 n LEU 1055Cb 0.21 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3fg4 n LEU 1055CO 0.20 0.66 1.26 -0.76 -1.33 0.00 0.00 177.39 177.41 3fg4 s LEU 1056N -2.01 4.37 0.36 2.23 1.43 -0.96 -4.92 118.68 119.19 3fg4 s LEU 1056Ca 0.26 2.69 0.10 0.00 -1.03 0.00 0.00 54.13 56.16 3fg4 s LEU 1056Cb 0.20 -3.60 0.87 0.00 0.03 0.00 0.00 46.19 43.69 3fg4 s LEU 1056CO 0.07 -0.86 1.86 -0.65 0.23 0.00 0.00 176.35 177.00 3fg4 h PRO 1057N 6.63 0.62 0.00 1.29 0.11 -1.91 -0.61 132.00 138.13 3fg4 h PRO 1057Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fg4 h PRO 1057Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fg4 h PRO 1057CO 0.91 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 178.26 3fg4 n GLU 1058N -4.57 0.34 0.00 1.05 0.00 -1.26 -2.18 120.64 114.03 3fg4 n GLU 1058Ca 0.18 0.09 0.01 0.00 0.00 0.00 0.00 57.16 57.44 3fg4 n GLU 1058Cb 0.52 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.47 3fg4 n GLU 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fg4 n ARG 1059N -1.20 -0.63 -3.30 3.44 1.74 -0.26 -4.91 116.66 111.53 3fg4 n ARG 1059Ca 0.10 -0.61 -0.43 0.00 -0.77 0.00 0.00 57.85 56.15 3fg4 n ARG 1059Cb 0.11 -1.03 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 3fg4 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg4 s ILE 1060N -0.17 5.06 0.63 0.55 1.01 -0.93 -4.96 121.20 122.39 3fg4 s ILE 1060Ca 0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3fg4 s ILE 1060Cb 0.02 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 3fg4 s ILE 1060CO 0.02 -0.39 1.24 -2.84 0.00 0.00 0.00 174.94 172.97 3fg4 s PRO 1061N 2.21 2.74 0.57 2.79 0.02 -1.26 0.74 135.00 142.81 3fg4 s PRO 1061Ca 0.14 1.90 0.28 0.00 0.02 0.00 0.00 61.00 63.33 3fg4 s PRO 1061Cb -0.17 -1.89 1.50 0.00 0.02 0.00 0.00 34.50 33.96 3fg4 s PRO 1061CO 0.14 -1.40 1.97 -0.91 -0.33 0.00 0.00 177.00 176.47 3fg4 h ASN 1062N 0.65 0.00 -4.12 2.53 2.35 -1.23 -3.40 115.58 112.36 3fg4 h ASN 1062Ca -0.50 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 54.89 3fg4 h ASN 1062Cb 1.31 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.59 3fg4 h ASN 1062CO 0.54 0.00 -0.34 0.61 -1.65 0.00 0.00 177.43 176.58 3fg4 n GLY 1063N -1.53 3.23 3.27 2.83 0.00 -1.26 -3.82 105.19 107.90 3fg4 n GLY 1063Ca 0.08 -1.85 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3fg4 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg4 s THR 1064N -2.97 5.00 0.00 2.61 2.01 -0.94 -4.60 115.64 116.75 3fg4 s THR 1064Ca 0.28 -2.29 0.00 0.00 0.31 0.00 0.00 61.69 59.99 3fg4 s THR 1064Cb 0.01 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3fg4 s THR 1064CO 0.20 -0.94 0.85 0.00 -0.69 0.00 0.00 174.62 174.04 3fg4 n ALA 1065N 4.24 1.99 -1.74 7.40 0.00 -1.26 -1.84 120.51 129.30 3fg4 n ALA 1065Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3fg4 n ALA 1065Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3fg4 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01