#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg1 s ALA 374 N 0.00 2.02 -0.22 -1.41 0.00 0.13 -4.69 121.76 117.59 3fg1 s ALA 374 Ca 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3fg1 s ALA 374 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3fg1 s ALA 374 CO 0.00 0.27 0.12 0.42 0.00 0.00 0.00 175.76 176.57 3fg1 s ILE 375 N -1.88 5.09 -0.23 0.00 -1.09 -1.26 -1.78 121.20 120.05 3fg1 s ILE 375 Ca 0.15 0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.59 3fg1 s ILE 375 Cb -0.07 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 3fg1 s ILE 375 CO 0.06 0.39 0.03 -0.31 -1.23 0.00 0.00 174.94 173.88 3fg1 s TYR 376 N 0.85 3.06 -0.24 3.97 1.51 0.18 -1.15 117.35 125.54 3fg1 s TYR 376 Ca 0.06 -0.47 -0.21 0.00 -1.01 0.00 0.00 57.07 55.44 3fg1 s TYR 376 Cb -0.13 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 3fg1 s TYR 376 CO 0.03 -0.32 0.66 -0.80 -1.11 0.00 0.00 175.55 174.01 3fg1 s ASN 377 N 1.33 6.65 -0.15 2.29 0.01 -0.23 -1.19 114.94 123.65 3fg1 s ASN 377 Ca 0.05 0.80 0.02 0.00 -0.71 0.00 0.00 52.86 53.01 3fg1 s ASN 377 Cb -0.15 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.17 3fg1 s ASN 377 CO 0.02 -0.37 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.34 3fg1 s VAL 378 N 2.39 2.02 -0.12 1.60 1.01 0.05 -1.58 120.40 125.78 3fg1 s VAL 378 Ca 0.28 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3fg1 s VAL 378 Cb -0.16 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3fg1 s VAL 378 CO 0.09 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.86 3fg1 s GLU 379 N 0.96 3.26 -0.10 2.72 2.12 0.54 -0.73 118.70 127.47 3fg1 s GLU 379 Ca -0.04 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.57 3fg1 s GLU 379 Cb -0.15 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 3fg1 s GLU 379 CO -0.05 0.21 -0.21 0.08 -0.54 0.00 0.00 175.26 174.75 3fg1 s VAL 380 N 0.34 2.36 -0.29 3.70 1.01 -0.33 -0.66 120.40 126.53 3fg1 s VAL 380 Ca -0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3fg1 s VAL 380 Cb -0.17 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3fg1 s VAL 380 CO 0.07 0.55 0.09 -1.61 0.00 0.00 0.00 175.10 174.20 3fg1 s GLU 381 N 0.28 3.30 0.02 2.72 2.02 0.48 -1.40 118.70 126.12 3fg1 s GLU 381 Ca -0.15 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 53.96 3fg1 s GLU 381 Cb -0.17 -3.40 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 3fg1 s GLU 381 CO 0.07 -0.37 0.47 0.99 0.02 0.00 0.00 175.26 176.44 3fg1 s THR 382 N 1.56 4.93 0.73 3.63 2.01 -0.43 -0.20 115.64 127.87 3fg1 s THR 382 Ca 0.04 0.98 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 3fg1 s THR 382 Cb -0.17 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.59 3fg1 s THR 382 CO 0.04 0.56 1.14 0.61 -0.69 0.00 0.00 174.62 176.28 3fg1 n GLY 383 N 1.84 0.01 0.09 4.40 0.00 0.34 -2.04 105.19 109.81 3fg1 n GLY 383 Ca -0.12 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.70 3fg1 n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fg1 n ASP 384 N -2.26 0.67 -4.73 1.61 8.00 -1.26 -1.25 116.55 117.33 3fg1 n ASP 384 Ca 0.14 0.56 -0.34 0.00 0.71 0.00 0.00 54.79 55.87 3fg1 n ASP 384 Cb 0.49 -0.75 0.09 0.00 -0.02 0.00 0.00 41.12 40.94 3fg1 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ARG 385 N -3.09 2.21 0.27 -1.24 1.70 -1.26 -4.68 118.95 112.86 3fg1 s ARG 385 Ca 0.11 1.71 -0.30 0.00 -0.47 0.00 0.00 55.73 56.78 3fg1 s ARG 385 Cb 0.13 -1.85 -0.13 0.00 -0.57 0.00 0.00 34.95 32.54 3fg1 s ARG 385 CO 0.58 -1.77 1.38 -1.91 -1.08 0.00 0.00 175.30 172.50 3fg1 n GLU 386 N -2.69 2.08 -1.08 3.89 2.13 -1.26 -1.59 120.64 122.12 3fg1 n GLU 386 Ca 0.13 0.74 -0.03 0.00 0.66 0.00 0.00 57.16 58.66 3fg1 n GLU 386 Cb 0.50 -2.37 -0.01 0.00 0.27 0.00 0.00 31.44 29.83 3fg1 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg1 n HIS 387 N 1.46 0.00 0.14 4.31 8.25 -1.26 -4.69 115.22 123.43 3fg1 n HIS 387 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.59 3fg1 n HIS 387 Cb 0.33 -1.30 0.43 0.00 1.12 0.00 0.00 29.99 30.57 3fg1 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg1 h ALA 388 N 0.00 1.59 -2.39 -1.41 0.00 -1.57 -3.43 119.26 112.05 3fg1 h ALA 388 Ca -0.05 -0.17 -0.45 0.00 0.00 0.00 0.00 54.91 54.23 3fg1 h ALA 388 Cb 0.57 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 18.44 3fg1 h ALA 388 CO 0.08 0.30 0.22 0.20 0.00 0.00 0.00 179.25 180.05 3fg1 s GLY 389 N -4.05 1.57 0.02 0.00 0.00 -1.26 -0.82 107.32 102.77 3fg1 s GLY 389 Ca -0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 44.72 44.09 3fg1 s GLY 389 CO 0.72 0.16 0.27 -1.08 0.00 0.00 0.00 173.10 173.18 3fg1 s THR 390 N -3.06 0.08 -0.14 0.90 -1.32 -0.81 -4.53 115.64 106.75 3fg1 s THR 390 Ca 0.65 -0.65 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3fg1 s THR 390 Cb -0.17 -0.79 0.25 0.00 -1.51 0.00 0.00 72.50 70.28 3fg1 s THR 390 CO 0.56 -0.36 1.15 -0.90 -2.21 0.00 0.00 174.62 172.87 3fg1 n ASP 391 N 0.89 2.48 -4.70 8.08 5.68 -1.26 -3.87 116.55 123.86 3fg1 n ASP 391 Ca -0.20 -2.76 -0.32 0.00 -0.50 0.00 0.00 54.79 51.01 3fg1 n ASP 391 Cb 0.58 -0.33 0.13 0.00 -1.14 0.00 0.00 41.12 40.36 3fg1 n ASP 391 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fg1 s ALA 392 N -2.32 1.77 -0.12 2.12 0.00 -1.26 -4.80 121.76 117.14 3fg1 s ALA 392 Ca 0.25 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3fg1 s ALA 392 Cb 0.21 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3fg1 s ALA 392 CO 0.04 -2.37 1.10 0.99 0.00 0.00 0.00 175.76 175.52 3fg1 s THR 393 N -2.39 4.54 -0.11 0.00 2.01 -1.26 -4.91 115.64 113.51 3fg1 s THR 393 Ca 0.70 1.84 -0.02 0.00 0.31 0.00 0.00 61.69 64.52 3fg1 s THR 393 Cb -0.25 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3fg1 s THR 393 CO 0.53 -0.05 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 3fg1 s ILE 394 N 2.52 3.99 0.18 1.82 -1.09 -1.26 -2.07 121.20 125.29 3fg1 s ILE 394 Ca 0.50 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 3fg1 s ILE 394 Cb -0.20 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3fg1 s ILE 394 CO 0.16 0.55 -0.15 0.42 -1.23 0.00 0.00 174.94 174.70 3fg1 s THR 395 N -0.29 1.63 -0.02 2.92 -4.23 -0.09 -1.29 115.64 114.27 3fg1 s THR 395 Ca 0.05 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 3fg1 s THR 395 Cb -0.12 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.81 3fg1 s THR 395 CO 0.02 -0.54 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.00 3fg1 s ILE 396 N -2.72 0.54 -0.12 2.99 2.07 0.09 -0.47 121.20 123.57 3fg1 s ILE 396 Ca 0.19 -0.22 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3fg1 s ILE 396 Cb -0.02 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3fg1 s ILE 396 CO 0.06 0.18 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.58 3fg1 s ARG 397 N 0.29 3.34 -0.15 3.50 3.52 0.10 -0.54 118.95 129.01 3fg1 s ARG 397 Ca -0.04 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 3fg1 s ARG 397 Cb -0.08 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 3fg1 s ARG 397 CO -0.00 0.33 -0.06 0.42 -0.81 0.00 0.00 175.30 175.18 3fg1 s ILE 398 N 0.09 3.74 -0.08 4.11 1.01 -1.26 -0.98 121.20 127.83 3fg1 s ILE 398 Ca -0.03 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3fg1 s ILE 398 Cb -0.14 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3fg1 s ILE 398 CO 0.04 0.50 -0.18 -0.89 0.00 0.00 0.00 174.94 174.41 3fg1 s THR 399 N 0.32 2.67 0.06 2.92 2.01 -0.04 -1.59 115.64 121.99 3fg1 s THR 399 Ca -0.05 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 3fg1 s THR 399 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.32 3fg1 s THR 399 CO 0.03 0.56 0.08 0.61 -0.69 0.00 0.00 174.62 175.22 3fg1 n GLY 400 N 2.94 2.94 0.37 4.40 0.00 -0.14 -0.23 105.19 115.46 3fg1 n GLY 400 Ca -0.18 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.61 3fg1 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 401 N 1.55 1.86 -0.01 4.61 0.00 0.21 -2.61 119.26 124.87 3fg1 h ALA 401 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 401 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fg1 h ALA 401 CO 0.06 -0.25 -0.41 1.63 0.00 0.00 0.00 179.25 180.27 3fg1 n LYS 402 N -4.74 1.03 0.00 0.00 5.02 0.95 -5.01 118.16 115.42 3fg1 n LYS 402 Ca 0.24 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 3fg1 n LYS 402 Cb 0.68 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3fg1 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg1 n GLY 403 N 1.39 0.38 3.33 0.72 0.00 -0.98 -4.92 105.19 105.11 3fg1 n GLY 403 Ca 0.10 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 3fg1 n GLY 403 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fg1 s ARG 404 N -2.00 0.81 0.71 1.61 1.70 -1.26 -0.97 118.95 119.55 3fg1 s ARG 404 Ca 0.00 -0.07 -0.08 0.00 -0.47 0.00 0.00 55.73 55.11 3fg1 s ARG 404 Cb 0.00 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.80 3fg1 s ARG 404 CO 0.00 -0.24 1.04 0.95 -1.08 0.00 0.00 175.30 175.97 3fg1 s THR 405 N -1.38 2.50 1.04 4.99 -4.23 -0.62 -4.86 115.64 113.08 3fg1 s THR 405 Ca -0.12 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 3fg1 s THR 405 Cb -0.03 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3fg1 s THR 405 CO 0.06 -0.12 1.07 -1.81 -0.54 0.00 0.00 174.62 173.28 3fg1 s ASP 406 N -4.49 2.17 0.00 3.99 1.01 -1.26 -4.55 116.67 113.54 3fg1 s ASP 406 Ca 0.60 1.37 -0.30 0.00 0.71 0.00 0.00 52.55 54.92 3fg1 s ASP 406 Cb -0.11 -2.07 -0.07 0.00 1.01 0.00 0.00 42.92 41.69 3fg1 s ASP 406 CO 0.46 -3.44 1.62 -0.31 0.21 0.00 0.00 175.17 173.71 3fg1 s TYR 407 N -2.78 2.27 -0.09 4.23 1.51 -1.26 -4.51 117.35 116.71 3fg1 s TYR 407 Ca 0.66 0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 57.04 3fg1 s TYR 407 Cb -0.21 -3.90 -0.03 0.00 -0.11 0.00 0.00 41.96 37.71 3fg1 s TYR 407 CO 0.60 -3.65 -0.02 -0.51 -1.11 0.00 0.00 175.55 170.86 3fg1 s LEU 408 N 3.26 3.46 0.16 -1.29 1.43 0.30 -4.84 118.68 121.16 3fg1 s LEU 408 Ca 0.72 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 3fg1 s LEU 408 Cb -0.35 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3fg1 s LEU 408 CO 0.30 0.35 1.06 -0.54 0.23 0.00 0.00 176.35 177.75 3fg1 s LYS 409 N -0.69 4.63 -0.65 1.70 1.02 -1.26 -0.73 119.74 123.76 3fg1 s LYS 409 Ca 0.11 1.64 -0.02 0.00 0.02 0.00 0.00 55.97 57.72 3fg1 s LYS 409 Cb -0.12 -3.30 0.17 0.00 -0.52 0.00 0.00 37.83 34.06 3fg1 s LYS 409 CO 0.02 0.12 0.46 -0.51 -0.92 0.00 0.00 175.35 174.52 3fg1 s LEU 410 N -0.28 5.16 -0.33 3.17 1.43 -0.41 -4.94 118.68 122.48 3fg1 s LEU 410 Ca 0.49 -3.01 0.16 0.00 -1.03 0.00 0.00 54.13 50.74 3fg1 s LEU 410 Cb -0.28 -1.83 0.44 0.00 0.03 0.00 0.00 46.19 44.55 3fg1 s LEU 410 CO 0.33 -0.32 1.20 -0.67 0.23 0.00 0.00 176.35 177.12 3fg1 n ASP 411 N 3.26 0.09 -3.83 2.29 2.03 -1.26 -4.35 116.55 114.77 3fg1 n ASP 411 Ca 0.09 -2.40 -0.23 0.00 0.52 0.00 0.00 54.79 52.77 3fg1 n ASP 411 Cb 0.37 0.10 -0.17 0.00 -0.72 0.00 0.00 41.12 40.70 3fg1 n ASP 411 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3fg1 s LYS 412 N -1.85 0.92 0.03 -0.67 -2.85 -1.26 -5.11 119.74 108.96 3fg1 s LYS 412 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 3fg1 s LYS 412 Cb 0.41 -1.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.06 3fg1 s LYS 412 CO -0.04 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.57 3fg1 n GLY 413 N 4.87 -3.04 4.01 0.59 0.00 -1.26 -5.00 105.19 105.36 3fg1 n GLY 413 Ca -0.12 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 3fg1 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 414 N -1.36 5.45 -0.66 1.61 1.04 -1.26 -5.07 113.70 113.45 3fg1 s SER 414 Ca 0.00 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.06 3fg1 s SER 414 Cb 0.00 -0.51 0.16 0.00 0.10 0.00 0.00 66.02 65.78 3fg1 s SER 414 CO 0.00 -0.97 0.45 -0.36 0.98 0.00 0.00 173.24 173.34 3fg1 s PHE 418 N -2.51 3.28 0.45 5.02 2.99 -1.25 -4.98 117.98 120.97 3fg1 s PHE 418 Ca 0.57 -3.21 -0.10 0.00 0.00 0.00 0.00 56.93 54.18 3fg1 s PHE 418 Cb -0.09 -2.54 -0.06 0.00 0.00 0.00 0.00 43.02 40.33 3fg1 s PHE 418 CO 0.35 -0.59 0.81 -1.21 -0.00 0.00 0.00 175.22 174.58 3fg1 s GLU 419 N -1.17 3.74 0.12 0.44 0.41 -1.26 -1.92 118.70 119.06 3fg1 s GLU 419 Ca 0.25 0.49 -0.35 0.00 -0.41 0.00 0.00 54.97 54.95 3fg1 s GLU 419 Cb -0.06 -2.34 -0.16 0.00 -1.78 0.00 0.00 34.13 29.79 3fg1 s GLU 419 CO -0.15 -0.13 1.30 0.00 -0.49 0.00 0.00 175.26 175.79 3fg1 n ALA 420 N -1.60 -0.71 -0.92 5.21 0.00 -1.26 -1.62 120.51 119.61 3fg1 n ALA 420 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3fg1 n ALA 420 Cb 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3fg1 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg1 n GLY 421 N 2.39 0.93 3.81 0.00 0.00 -0.38 -4.84 105.19 107.11 3fg1 n GLY 421 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3fg1 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 422 N -2.94 6.59 -0.25 1.61 1.04 -0.64 -4.81 113.70 114.30 3fg1 s SER 422 Ca 0.00 1.78 0.02 0.00 0.48 0.00 0.00 55.95 58.24 3fg1 s SER 422 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.63 3fg1 s SER 422 CO 0.00 -0.61 -0.10 -0.54 0.98 0.00 0.00 173.24 172.97 3fg1 s LYS 423 N -3.35 2.15 -0.02 4.02 1.02 -1.26 -1.31 119.74 120.99 3fg1 s LYS 423 Ca 0.64 -1.25 0.08 0.00 0.02 0.00 0.00 55.97 55.46 3fg1 s LYS 423 Cb -0.12 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3fg1 s LYS 423 CO 0.19 -0.56 -0.26 -1.21 -0.92 0.00 0.00 175.35 172.60 3fg1 s GLU 424 N 1.17 2.08 -0.03 1.68 0.41 -0.49 -4.95 118.70 118.58 3fg1 s GLU 424 Ca -0.08 -0.94 0.05 0.00 -0.41 0.00 0.00 54.97 53.60 3fg1 s GLU 424 Cb -0.19 -2.03 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 3fg1 s GLU 424 CO -0.06 0.56 -0.18 -0.65 -0.49 0.00 0.00 175.26 174.44 3fg1 s GLN 425 N -0.65 2.33 0.05 1.61 -0.21 -1.26 -1.19 119.66 120.34 3fg1 s GLN 425 Ca 0.10 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.72 3fg1 s GLN 425 Cb -0.10 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 3fg1 s GLN 425 CO -0.01 0.60 -0.10 0.71 -2.12 0.00 0.00 175.29 174.37 3fg1 s TYR 426 N -0.72 0.87 -0.18 0.91 1.51 0.09 -5.01 117.35 114.83 3fg1 s TYR 426 Ca 0.11 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3fg1 s TYR 426 Cb -0.10 -0.51 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 3fg1 s TYR 426 CO 0.01 -0.03 -0.07 0.99 -1.11 0.00 0.00 175.55 175.33 3fg1 s THR 427 N -1.24 1.36 0.19 -0.71 2.01 -1.26 -0.77 115.64 115.22 3fg1 s THR 427 Ca -0.06 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.21 3fg1 s THR 427 Cb -0.09 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 3fg1 s THR 427 CO 0.01 0.13 -0.18 0.68 -0.69 0.00 0.00 174.62 174.58 3fg1 s VAL 428 N 1.52 1.92 -0.05 3.82 -7.23 -0.34 -4.98 120.40 115.07 3fg1 s VAL 428 Ca -0.00 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 3fg1 s VAL 428 Cb -0.16 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3fg1 s VAL 428 CO -0.08 -0.38 -0.16 -1.58 -0.31 0.00 0.00 175.10 172.59 3fg1 s GLN 429 N -3.09 1.72 0.23 4.82 0.74 -1.26 0.49 119.66 123.31 3fg1 s GLN 429 Ca 0.20 -0.55 -0.10 0.00 0.05 0.00 0.00 55.36 54.95 3fg1 s GLN 429 Cb -0.05 -1.48 0.04 0.00 1.10 0.00 0.00 33.01 32.63 3fg1 s GLN 429 CO 0.08 0.19 0.53 0.41 -0.55 0.00 0.00 175.29 175.95 3fg1 n GLY 430 N 3.28 1.27 3.53 2.59 0.00 -0.74 -5.00 105.19 110.13 3fg1 n GLY 430 Ca -0.19 -1.15 -0.53 0.00 0.00 0.00 0.00 46.02 44.15 3fg1 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fg1 n PHE 431 N -0.36 0.92 -2.45 1.61 -0.00 -1.26 -0.69 117.46 115.22 3fg1 n PHE 431 Ca -0.05 0.82 -0.43 0.00 -0.00 0.00 0.00 57.45 57.80 3fg1 n PHE 431 Cb 0.38 -2.19 -0.02 0.00 -0.00 0.00 0.00 39.48 37.64 3fg1 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg1 s ASP 432 N -0.02 6.43 0.00 -2.13 2.15 -1.26 -4.52 116.67 117.31 3fg1 s ASP 432 Ca 0.80 0.62 0.29 0.00 0.43 0.00 0.00 52.55 54.69 3fg1 s ASP 432 Cb -1.01 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 40.36 3fg1 s ASP 432 CO 0.53 -1.40 1.88 1.33 -0.17 0.00 0.00 175.17 177.35 3fg1 n VAL 433 N 6.97 0.00 -4.42 1.11 0.24 -1.26 -4.71 118.33 116.26 3fg1 n VAL 433 Ca 0.14 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3fg1 n VAL 433 Cb 0.48 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3fg1 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg1 n GLY 434 N 1.15 1.36 3.68 7.63 0.00 -1.26 -0.03 105.19 117.72 3fg1 n GLY 434 Ca 0.19 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3fg1 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg1 s ASP 435 N -4.00 6.68 0.10 1.61 2.15 -1.26 -4.73 116.67 117.22 3fg1 s ASP 435 Ca 0.00 2.35 -0.30 0.00 0.43 0.00 0.00 52.55 55.03 3fg1 s ASP 435 Cb 0.00 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 3fg1 s ASP 435 CO 0.00 -0.85 1.11 -0.63 -0.17 0.00 0.00 175.17 174.63 3fg1 s ILE 436 N 2.78 4.15 -0.07 4.11 1.01 -1.26 -1.07 121.20 130.84 3fg1 s ILE 436 Ca 0.71 1.66 0.06 0.00 0.00 0.00 0.00 60.65 63.08 3fg1 s ILE 436 Cb -0.37 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 3fg1 s ILE 436 CO 0.30 0.19 0.01 0.00 0.00 0.00 0.00 174.94 175.45 3fg1 n GLN 437 N 3.28 2.52 -3.45 2.79 6.02 0.68 -4.91 117.38 124.31 3fg1 n GLN 437 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3fg1 n GLN 437 Cb 0.47 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 3fg1 n GLN 437 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3fg1 s LEU 438 N -4.65 -0.51 0.17 1.08 0.05 -0.94 -4.24 118.68 109.65 3fg1 s LEU 438 Ca -0.05 0.01 0.06 0.00 0.05 0.00 0.00 54.13 54.21 3fg1 s LEU 438 Cb 0.02 2.42 -0.05 0.00 -2.05 0.00 0.00 46.19 46.54 3fg1 s LEU 438 CO 0.29 -0.86 -0.12 0.27 -0.55 0.00 0.00 176.35 175.38 3fg1 s ILE 439 N -3.51 1.42 -0.07 1.48 -4.36 -0.49 -0.86 121.20 114.81 3fg1 s ILE 439 Ca 0.02 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 3fg1 s ILE 439 Cb -0.01 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.79 3fg1 s ILE 439 CO -0.11 -0.68 -0.11 -1.61 0.24 0.00 0.00 174.94 172.67 3fg1 s GLU 440 N -3.69 1.59 -0.07 0.37 2.02 -0.15 -1.14 118.70 117.63 3fg1 s GLU 440 Ca 0.19 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 3fg1 s GLU 440 Cb 0.01 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.83 3fg1 s GLU 440 CO 0.03 -0.02 0.22 -0.51 0.02 0.00 0.00 175.26 175.01 3fg1 s LEU 441 N 0.81 4.41 -0.06 1.80 1.43 0.76 -0.72 118.68 127.10 3fg1 s LEU 441 Ca -0.12 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3fg1 s LEU 441 Cb -0.15 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3fg1 s LEU 441 CO 0.02 0.37 -0.15 -2.28 0.23 0.00 0.00 176.35 174.53 3fg1 s HIS 442 N -1.08 1.66 -0.11 0.29 2.46 0.38 -1.57 115.29 117.32 3fg1 s HIS 442 Ca 0.19 -0.56 -0.01 0.00 0.47 0.00 0.00 55.06 55.16 3fg1 s HIS 442 Cb -0.13 -1.15 -0.03 0.00 -0.13 0.00 0.00 32.58 31.14 3fg1 s HIS 442 CO 0.08 -0.23 -0.08 0.45 -2.47 0.00 0.00 174.74 172.49 3fg1 s SER 443 N 0.33 4.52 0.00 9.88 0.15 0.59 -0.91 113.70 128.26 3fg1 s SER 443 Ca -0.10 -0.13 0.26 0.00 0.70 0.00 0.00 55.95 56.67 3fg1 s SER 443 Cb -0.14 -1.44 1.47 0.00 -1.71 0.00 0.00 66.02 64.20 3fg1 s SER 443 CO 0.03 0.26 1.88 -0.90 1.20 0.00 0.00 173.24 175.71 3fg1 n ASP 444 N 2.93 0.00 0.00 5.45 5.75 -0.88 -4.67 116.55 125.13 3fg1 n ASP 444 Ca -0.18 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 3fg1 n ASP 444 Cb 0.53 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3fg1 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg1 n GLY 445 N 0.67 0.55 0.00 6.12 0.00 -1.26 -4.90 105.19 106.37 3fg1 n GLY 445 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fg1 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 446 N -2.90 -1.33 0.00 -0.02 0.00 -1.26 -4.71 105.19 94.97 3fg1 n GLY 446 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3fg1 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 447 N -1.41 3.60 0.30 -0.02 0.00 -1.26 -4.94 105.19 101.46 3fg1 n GLY 447 Ca 0.00 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 44.03 3fg1 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg1 h TYR 448 N 0.17 0.54 -0.01 1.61 5.03 -2.03 -2.27 116.97 120.02 3fg1 h TYR 448 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3fg1 h TYR 448 Cb 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.17 3fg1 h TYR 448 CO 0.00 -0.04 -0.24 0.91 -1.32 0.00 0.00 178.16 177.47 3fg1 n TRP 449 N -5.07 0.00 -1.90 -3.82 7.02 -1.26 -4.92 117.44 107.49 3fg1 n TRP 449 Ca 0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.25 3fg1 n TRP 449 Cb 0.58 -0.17 -0.03 0.00 -2.42 0.00 0.00 31.31 29.27 3fg1 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg1 s SER 450 N -2.58 6.54 -0.07 -0.99 0.01 -0.86 -4.93 113.70 110.83 3fg1 s SER 450 Ca 0.23 2.30 -0.23 0.00 1.31 0.00 0.00 55.95 59.56 3fg1 s SER 450 Cb 0.19 -2.53 -0.19 0.00 0.21 0.00 0.00 66.02 63.70 3fg1 s SER 450 CO 0.53 -1.03 0.92 1.23 0.41 0.00 0.00 173.24 175.30 3fg1 h GLY 451 N 10.64 -0.11 -6.17 3.44 0.00 -1.91 -3.43 103.07 105.53 3fg1 h GLY 451 Ca -0.42 0.04 -0.53 0.00 0.00 0.00 0.00 47.33 46.42 3fg1 h GLY 451 CO 0.95 -0.04 -0.92 1.34 0.00 0.00 0.00 176.54 177.87 3fg1 n ASP 452 N -4.83 -0.85 0.32 0.19 2.03 -1.26 -5.01 116.55 107.15 3fg1 n ASP 452 Ca -0.08 -2.45 0.21 0.00 0.52 0.00 0.00 54.79 52.98 3fg1 n ASP 452 Cb 0.30 -0.26 1.08 0.00 -0.72 0.00 0.00 41.12 41.52 3fg1 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg1 h PRO 453 N 5.48 0.00 -6.97 -0.67 0.13 -1.84 -3.43 132.00 124.70 3fg1 h PRO 453 Ca 0.23 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.82 3fg1 h PRO 453 Cb 0.93 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.18 3fg1 h PRO 453 CO 0.33 0.01 0.72 -0.51 -0.23 0.00 0.00 178.00 178.32 3fg1 s ASP 454 N -5.36 6.04 -0.12 1.44 -0.00 -1.26 -4.68 116.67 112.73 3fg1 s ASP 454 Ca -0.04 2.95 -0.01 0.00 -0.00 0.00 0.00 52.55 55.45 3fg1 s ASP 454 Cb 0.12 -2.66 0.03 0.00 -0.00 0.00 0.00 42.92 40.41 3fg1 s ASP 454 CO 0.45 -1.07 -0.07 0.86 -0.00 0.00 0.00 175.17 175.35 3fg1 s TRP 455 N -1.18 1.44 -0.43 4.23 -0.00 -0.62 -4.59 118.94 117.79 3fg1 s TRP 455 Ca 0.58 -0.73 -0.19 0.00 -0.00 0.00 0.00 56.10 55.76 3fg1 s TRP 455 Cb -0.44 -1.21 0.02 0.00 -0.00 0.00 0.00 33.47 31.84 3fg1 s TRP 455 CO 0.58 -0.51 0.56 0.12 -0.00 0.00 0.00 176.95 177.70 3fg1 s PHE 456 N 1.72 3.11 -0.23 5.86 5.36 0.00 0.28 117.98 134.08 3fg1 s PHE 456 Ca 0.05 -0.17 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 3fg1 s PHE 456 Cb -0.13 -3.17 -0.05 0.00 -0.34 0.00 0.00 43.02 39.33 3fg1 s PHE 456 CO -0.08 -0.80 0.14 0.08 -1.46 0.00 0.00 175.22 173.09 3fg1 s VAL 457 N 2.55 5.19 -0.04 3.12 1.01 -1.08 -0.51 120.40 130.64 3fg1 s VAL 457 Ca 0.19 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 3fg1 s VAL 457 Cb -0.15 -3.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 3fg1 s VAL 457 CO 0.17 0.37 0.72 0.78 0.00 0.00 0.00 175.10 177.14 3fg1 h ASN 458 N 7.41 -0.34 -5.00 3.32 -0.26 -0.87 0.84 115.58 120.68 3fg1 h ASN 458 Ca -0.38 -0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.17 3fg1 h ASN 458 Cb 1.17 0.09 -0.18 0.00 -1.06 0.00 0.00 38.32 38.34 3fg1 h ASN 458 CO 0.66 0.14 0.13 -0.60 -1.06 0.00 0.00 177.43 176.71 3fg1 s ARG 459 N -3.35 1.06 -0.03 0.81 3.52 -1.09 -0.33 118.95 119.55 3fg1 s ARG 459 Ca -0.10 0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.61 3fg1 s ARG 459 Cb 0.01 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3fg1 s ARG 459 CO 0.33 -0.36 -0.23 0.08 -0.81 0.00 0.00 175.30 174.32 3fg1 s VAL 460 N -1.76 1.84 -0.06 7.11 1.01 -0.63 -0.39 120.40 127.53 3fg1 s VAL 460 Ca -0.09 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3fg1 s VAL 460 Cb -0.01 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3fg1 s VAL 460 CO 0.05 0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 3fg1 s ILE 461 N -0.36 1.74 -0.02 2.22 1.01 0.16 -0.34 121.20 125.61 3fg1 s ILE 461 Ca 0.04 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3fg1 s ILE 461 Cb -0.11 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 3fg1 s ILE 461 CO 0.01 0.49 -0.10 -0.63 0.00 0.00 0.00 174.94 174.71 3fg1 s ILE 462 N 0.05 0.83 -0.11 2.92 1.01 -0.25 -0.34 121.20 125.31 3fg1 s ILE 462 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3fg1 s ILE 462 Cb -0.14 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3fg1 s ILE 462 CO 0.04 0.25 -0.22 -0.63 0.00 0.00 0.00 174.94 174.37 3fg1 s ILE 463 N -0.02 2.00 -0.12 2.92 1.01 -0.61 -0.99 121.20 125.39 3fg1 s ILE 463 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3fg1 s ILE 463 Cb -0.07 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3fg1 s ILE 463 CO 0.00 0.54 0.11 -0.55 0.00 0.00 0.00 174.94 175.05 3fg1 s SER 464 N 0.56 6.14 0.33 3.58 0.15 -1.26 -1.07 113.70 122.13 3fg1 s SER 464 Ca -0.14 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.14 3fg1 s SER 464 Cb -0.17 -1.95 1.17 0.00 -1.71 0.00 0.00 66.02 63.37 3fg1 s SER 464 CO 0.04 0.39 1.74 0.77 1.20 0.00 0.00 173.24 177.38 3fg1 h SER 465 N 5.13 0.00 -0.02 5.45 4.64 -1.51 -2.53 113.55 124.70 3fg1 h SER 465 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3fg1 h SER 465 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fg1 h SER 465 CO 0.58 0.00 -0.32 0.35 -0.87 0.00 0.00 176.83 176.57 3fg1 n THR 466 N -2.34 0.00 -4.62 2.95 -2.24 -1.26 -4.97 114.28 101.79 3fg1 n THR 466 Ca 0.00 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 3fg1 n THR 466 Cb 0.13 1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 3fg1 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg1 s GLN 467 N -2.21 1.25 -0.55 -0.78 -1.52 -0.96 -5.02 119.66 109.88 3fg1 s GLN 467 Ca 0.20 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.83 3fg1 s GLN 467 Cb 0.17 -1.27 0.32 0.00 -0.22 0.00 0.00 33.01 32.01 3fg1 s GLN 467 CO 0.46 0.33 2.11 -0.25 -0.25 0.00 0.00 175.29 177.69 3fg1 n ASP 468 N 2.19 7.16 -4.28 5.90 8.00 -1.26 -4.50 116.55 129.75 3fg1 n ASP 468 Ca -0.16 -3.50 -0.21 0.00 0.71 0.00 0.00 54.79 51.63 3fg1 n ASP 468 Cb 0.54 -1.04 -0.12 0.00 -0.02 0.00 0.00 41.12 40.48 3fg1 n ASP 468 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fg1 s ARG 469 N -2.97 1.14 -0.28 -1.24 0.52 -1.26 -5.12 118.95 109.73 3fg1 s ARG 469 Ca 0.52 -1.27 -0.08 0.00 -0.52 0.00 0.00 55.73 54.37 3fg1 s ARG 469 Cb 0.40 -1.19 -0.02 0.00 0.52 0.00 0.00 34.95 34.66 3fg1 s ARG 469 CO -0.08 0.25 0.11 0.08 0.02 0.00 0.00 175.30 175.68 3fg1 s VAL 470 N -1.82 4.46 -0.26 3.52 1.01 -1.26 -4.48 120.40 121.57 3fg1 s VAL 470 Ca 0.10 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 3fg1 s VAL 470 Cb -0.07 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3fg1 s VAL 470 CO 0.05 0.20 0.32 -0.31 0.00 0.00 0.00 175.10 175.36 3fg1 s TYR 471 N 1.61 3.27 -0.15 5.22 1.51 -0.16 -4.96 117.35 123.68 3fg1 s TYR 471 Ca 0.05 0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3fg1 s TYR 471 Cb -0.16 -2.50 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 3fg1 s TYR 471 CO 0.05 -0.15 -0.13 0.45 -1.11 0.00 0.00 175.55 174.66 3fg1 s SER 472 N 1.50 3.91 -0.48 2.29 0.15 -1.26 -1.08 113.70 118.73 3fg1 s SER 472 Ca 0.13 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.42 3fg1 s SER 472 Cb -0.15 -1.61 0.12 0.00 -1.71 0.00 0.00 66.02 62.67 3fg1 s SER 472 CO 0.09 0.10 0.22 -0.36 1.20 0.00 0.00 173.24 174.50 3fg1 s PHE 473 N 0.72 3.37 0.51 3.44 0.40 0.54 -1.36 117.98 125.60 3fg1 s PHE 473 Ca -0.06 -3.05 -0.21 0.00 -0.60 0.00 0.00 56.93 53.01 3fg1 s PHE 473 Cb -0.15 -2.91 -0.07 0.00 0.51 0.00 0.00 43.02 40.40 3fg1 s PHE 473 CO 0.02 -0.82 1.12 -1.25 0.70 0.00 0.00 175.22 174.99 3fg1 s PRO 474 N 0.10 3.56 0.00 0.24 0.04 -1.26 -1.60 135.00 136.07 3fg1 s PRO 474 Ca 0.15 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3fg1 s PRO 474 Cb -0.23 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3fg1 s PRO 474 CO -0.03 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.33 3fg1 n PHE 476 N -1.01 -2.66 -3.96 0.00 3.01 0.28 -4.91 117.46 108.21 3fg1 n PHE 476 Ca 0.00 0.98 -0.09 0.00 1.01 0.00 0.00 57.45 59.34 3fg1 n PHE 476 Cb 0.00 -4.96 -0.07 0.00 -0.01 0.00 0.00 39.48 34.43 3fg1 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg1 s ARG 477 N -6.05 1.09 0.04 -1.08 0.52 -1.21 -5.01 118.95 107.25 3fg1 s ARG 477 Ca 0.44 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 3fg1 s ARG 477 Cb -0.19 0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 3fg1 s ARG 477 CO 0.71 -0.39 1.11 -1.58 0.02 0.00 0.00 175.30 175.18 3fg1 s TRP 478 N -3.96 3.52 -0.36 -0.53 0.52 -1.26 -2.64 118.94 114.23 3fg1 s TRP 478 Ca 0.16 1.45 -0.18 0.00 0.02 0.00 0.00 56.10 57.55 3fg1 s TRP 478 Cb 0.04 -3.31 -0.00 0.00 -1.15 0.00 0.00 33.47 29.05 3fg1 s TRP 478 CO -0.02 -0.79 0.50 0.08 0.02 0.00 0.00 176.95 176.75 3fg1 s VAL 479 N 1.06 5.02 -0.02 4.03 1.01 0.14 -4.93 120.40 126.71 3fg1 s VAL 479 Ca 0.56 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 3fg1 s VAL 479 Cb -0.26 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 3fg1 s VAL 479 CO 0.29 -0.23 -0.03 -0.38 0.00 0.00 0.00 175.10 174.74 3fg1 n ILE 480 N 5.43 0.15 0.00 2.22 2.08 -1.26 -1.59 119.36 126.39 3fg1 n ILE 480 Ca -0.05 0.47 0.00 0.00 0.56 0.00 0.00 62.75 63.73 3fg1 n ILE 480 Cb 0.49 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 3fg1 n ILE 480 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3fg1 n LYS 481 N -2.61 0.00 -4.35 0.38 4.76 -1.26 -4.63 118.16 110.44 3fg1 n LYS 481 Ca -0.01 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 3fg1 n LYS 481 Cb 0.04 -0.45 -0.13 0.00 -1.84 0.00 0.00 35.03 32.65 3fg1 n LYS 481 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fg1 s ASP 482 N -5.00 1.82 -0.17 4.39 1.11 -1.26 -0.30 116.67 117.26 3fg1 s ASP 482 Ca 0.00 -0.51 -0.05 0.00 0.18 0.00 0.00 52.55 52.18 3fg1 s ASP 482 Cb 0.00 -0.11 0.08 0.00 1.07 0.00 0.00 42.92 43.96 3fg1 s ASP 482 CO 0.00 0.03 0.30 -0.32 1.18 0.00 0.00 175.17 176.36 3fg1 s MET 483 N -1.29 0.21 -0.07 8.23 1.75 -0.61 -4.98 119.30 122.54 3fg1 s MET 483 Ca 0.02 0.70 -0.20 0.00 -1.25 0.00 0.00 55.69 54.96 3fg1 s MET 483 Cb -0.08 -0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.37 3fg1 s MET 483 CO 0.02 -0.37 0.57 0.08 -0.65 0.00 0.00 175.02 174.67 3fg1 s VAL 484 N 2.46 5.07 0.03 10.11 1.01 -1.26 -0.17 120.40 137.64 3fg1 s VAL 484 Ca 0.03 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.24 3fg1 s VAL 484 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3fg1 s VAL 484 CO -0.11 0.33 -0.15 -0.76 0.00 0.00 0.00 175.10 174.41 3fg1 s LEU 485 N 0.43 2.13 0.08 3.92 1.43 -0.29 -5.01 118.68 121.36 3fg1 s LEU 485 Ca 0.31 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3fg1 s LEU 485 Cb -0.17 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3fg1 s LEU 485 CO 0.15 0.10 -0.05 -0.36 0.23 0.00 0.00 176.35 176.41 3fg1 s PHE 486 N -0.70 2.87 0.40 0.29 2.99 -1.26 -1.39 117.98 121.18 3fg1 s PHE 486 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 56.93 56.84 3fg1 s PHE 486 Cb -0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 43.02 41.40 3fg1 s PHE 486 CO 0.01 0.44 0.68 -1.25 -0.00 0.00 0.00 175.22 175.10 3fg1 s PRO 487 N -2.12 3.57 2.85 0.24 0.04 -1.26 -4.40 135.00 133.92 3fg1 s PRO 487 Ca 0.22 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.31 3fg1 s PRO 487 Cb -0.11 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3fg1 s PRO 487 CO 0.15 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.58 3fg1 n GLY 488 N -1.80 -0.52 3.82 0.56 0.00 -0.46 -4.97 105.19 101.83 3fg1 n GLY 488 Ca -0.01 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 3fg1 n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg1 s GLU 489 N 0.00 3.37 0.56 1.61 8.01 -1.26 -4.73 118.70 126.25 3fg1 s GLU 489 Ca 0.00 1.04 -0.21 0.00 0.01 0.00 0.00 54.97 55.82 3fg1 s GLU 489 Cb 0.00 -2.05 -0.06 0.00 -4.31 0.00 0.00 34.13 27.72 3fg1 s GLU 489 CO 0.00 -0.75 1.13 0.00 0.01 0.00 0.00 175.26 175.65 3fg1 n ALA 490 N -2.30 0.73 -2.73 5.21 0.00 -1.26 -5.03 120.51 115.12 3fg1 n ALA 490 Ca 0.08 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 3fg1 n ALA 490 Cb 0.53 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 3fg1 n ALA 490 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg1 s THR 491 N -1.39 0.23 0.55 0.00 -4.23 -0.15 -4.85 115.64 105.80 3fg1 s THR 491 Ca 0.73 -1.18 -0.15 0.00 -1.18 0.00 0.00 61.69 59.91 3fg1 s THR 491 Cb -0.44 -0.65 -0.07 0.00 1.34 0.00 0.00 72.50 72.68 3fg1 s THR 491 CO 0.49 -0.61 1.00 -0.76 -0.54 0.00 0.00 174.62 174.20 3fg1 s LEU 492 N -1.87 3.50 0.50 4.79 1.43 -1.26 -4.05 118.68 121.72 3fg1 s LEU 492 Ca -0.09 1.53 0.28 0.00 -1.03 0.00 0.00 54.13 54.82 3fg1 s LEU 492 Cb -0.05 -4.50 1.31 0.00 0.03 0.00 0.00 46.19 42.98 3fg1 s LEU 492 CO -0.03 -0.69 1.99 1.55 0.23 0.00 0.00 176.35 179.40 3fg1 h PRO 493 N 0.52 0.00 -0.00 1.29 0.13 -1.97 -1.54 132.00 130.43 3fg1 h PRO 493 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3fg1 h PRO 493 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fg1 h PRO 493 CO 0.61 0.14 -0.26 1.97 -0.23 0.00 0.00 178.00 180.24 3fg1 n PHE 494 N -3.48 0.00 -1.80 1.56 1.16 -1.26 -4.88 117.46 108.76 3fg1 n PHE 494 Ca -0.01 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.16 3fg1 n PHE 494 Cb 0.30 -0.22 -0.00 0.00 -1.61 0.00 0.00 39.48 37.95 3fg1 n PHE 494 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3fg1 s ASN 495 N -2.70 6.33 -0.03 5.98 0.02 -0.58 -4.87 114.94 119.09 3fg1 s ASN 495 Ca 0.20 3.06 -0.30 0.00 -1.02 0.00 0.00 52.86 54.80 3fg1 s ASN 495 Cb 0.19 -2.67 -0.07 0.00 0.02 0.00 0.00 41.25 38.72 3fg1 s ASN 495 CO 0.56 -0.88 1.77 -0.70 0.02 0.00 0.00 177.10 177.87 3fg1 s GLU 496 N -2.07 4.14 0.13 -0.60 2.12 -1.26 -4.96 118.70 116.21 3fg1 s GLU 496 Ca 0.53 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 58.17 3fg1 s GLU 496 Cb -0.47 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 29.83 3fg1 s GLU 496 CO 0.63 -0.91 0.08 0.14 -0.54 0.00 0.00 175.26 174.65 3fg1 s VAL 497 N 4.28 0.11 0.54 3.70 -7.23 -1.26 -5.14 120.40 115.39 3fg1 s VAL 497 Ca 0.79 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 3fg1 s VAL 497 Cb -0.36 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 3fg1 s VAL 497 CO 0.34 -0.50 1.24 -2.65 -0.31 0.00 0.00 175.10 173.23 3fg1 n PRO 498 N -0.09 1.52 -0.26 4.82 -0.02 -1.26 -4.82 135.00 134.89 3fg1 n PRO 498 Ca -0.07 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3fg1 n PRO 498 Cb 0.63 -2.43 0.20 0.00 -0.02 0.00 0.00 33.50 31.89 3fg1 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg1 h ALA 499 N 1.30 1.01 -0.08 3.55 0.00 -2.00 -1.17 119.26 121.87 3fg1 h ALA 499 Ca -0.49 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3fg1 h ALA 499 Cb 1.32 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3fg1 h ALA 499 CO 0.56 -0.37 -0.22 0.97 0.00 0.00 0.00 179.25 180.18 3fg1 h ILE 500 N 0.24 1.20 -0.23 0.00 2.10 -1.99 -0.96 117.51 117.87 3fg1 h ILE 500 Ca 0.45 -0.93 -0.03 0.00 1.08 0.00 0.00 64.86 65.43 3fg1 h ILE 500 Cb 0.80 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 3fg1 h ILE 500 CO -0.56 0.28 0.02 0.58 -1.08 0.00 0.00 178.15 177.39 3fg1 h VAL 501 N 0.12 1.24 -0.65 2.19 2.07 -1.58 -1.44 116.25 118.20 3fg1 h VAL 501 Ca 0.02 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3fg1 h VAL 501 Cb 0.47 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3fg1 h VAL 501 CO 0.03 0.25 0.39 0.28 0.02 0.00 0.00 177.57 178.55 3fg1 h SER 502 N 0.18 0.64 -0.32 0.57 0.02 -1.08 -0.53 113.55 113.03 3fg1 h SER 502 Ca 0.07 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3fg1 h SER 502 Cb 0.36 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 3fg1 h SER 502 CO 0.01 0.44 0.15 -0.33 -1.14 0.00 0.00 176.83 175.95 3fg1 h GLU 503 N 0.77 0.30 -0.47 3.45 5.08 -1.11 -1.49 114.58 121.11 3fg1 h GLU 503 Ca 0.26 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3fg1 h GLU 503 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3fg1 h GLU 503 CO -0.12 0.20 -0.02 1.96 -1.00 0.00 0.00 179.01 180.04 3fg1 h GLN 504 N 0.31 0.78 -0.38 2.33 1.08 -0.95 -1.40 115.11 116.88 3fg1 h GLN 504 Ca 0.14 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3fg1 h GLN 504 Cb 0.06 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3fg1 h GLN 504 CO -0.11 0.80 0.11 -0.09 -0.95 0.00 0.00 178.83 178.60 3fg1 h ARG 505 N 0.73 0.60 -0.69 1.46 2.43 -0.81 0.37 114.38 118.47 3fg1 h ARG 505 Ca 0.14 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3fg1 h ARG 505 Cb 0.47 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3fg1 h ARG 505 CO 0.02 0.61 0.18 1.96 -1.51 0.00 0.00 179.97 181.24 3fg1 h GLN 506 N 0.48 1.09 -0.61 0.20 1.08 -1.09 -1.97 115.11 114.29 3fg1 h GLN 506 Ca 0.12 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3fg1 h GLN 506 Cb 0.27 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 3fg1 h GLN 506 CO -0.00 0.96 0.36 0.87 -0.95 0.00 0.00 178.83 180.06 3fg1 h LYS 507 N 1.03 0.67 -0.26 1.46 1.57 -1.02 -0.68 116.57 119.34 3fg1 h LYS 507 Ca 0.22 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3fg1 h LYS 507 Cb 0.35 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3fg1 h LYS 507 CO -0.00 0.44 -0.08 1.49 -0.57 0.00 0.00 179.45 180.73 3fg1 h GLU 508 N 0.69 -0.02 -0.53 3.15 4.81 -0.51 -1.88 114.58 120.28 3fg1 h GLU 508 Ca 0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3fg1 h GLU 508 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3fg1 h GLU 508 CO -0.13 -0.01 0.04 -0.07 -0.73 0.00 0.00 179.01 178.11 3fg1 h LEU 509 N -0.02 0.84 -0.36 1.64 3.38 -0.96 -1.03 115.31 118.79 3fg1 h LEU 509 Ca 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fg1 h LEU 509 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fg1 h LEU 509 CO -0.28 0.87 0.21 -0.33 0.09 0.00 0.00 178.44 179.01 3fg1 h GLU 510 N 0.82 0.42 -0.64 1.13 5.08 -0.90 -2.51 114.58 117.98 3fg1 h GLU 510 Ca 0.16 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3fg1 h GLU 510 Cb 0.43 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3fg1 h GLU 510 CO 0.02 0.28 0.39 1.96 -1.00 0.00 0.00 179.01 180.66 3fg1 h GLN 511 N 0.43 0.75 -0.98 2.33 4.20 -1.03 -2.82 115.11 117.99 3fg1 h GLN 511 Ca 0.14 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.87 3fg1 h GLN 511 Cb 0.00 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.55 3fg1 h GLN 511 CO -0.07 0.49 0.63 0.00 -0.67 0.00 0.00 178.83 179.22 3fg1 h ARG 512 N 0.77 1.13 0.00 1.46 2.47 -0.91 -1.16 114.38 118.14 3fg1 h ARG 512 Ca 0.26 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.88 3fg1 h ARG 512 Cb 0.03 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.09 3fg1 h ARG 512 CO -0.11 0.75 -0.15 0.87 0.56 0.00 0.00 179.97 181.89 3fg1 h LYS 513 N 1.16 0.00 0.12 0.04 1.57 -1.21 0.17 116.57 118.43 3fg1 h LYS 513 Ca 0.42 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.91 3fg1 h LYS 513 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.47 3fg1 h LYS 513 CO -0.16 0.15 -1.24 -0.07 -0.57 0.00 0.00 179.45 177.56 3fg1 h LEU 514 N 0.00 0.75 0.05 2.94 3.38 -1.24 -3.37 115.31 117.82 3fg1 h LEU 514 Ca -0.00 -0.71 -0.25 0.00 0.09 0.00 0.00 57.88 57.00 3fg1 h LEU 514 Cb 0.80 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.33 3fg1 h LEU 514 CO 0.02 1.53 -1.02 0.74 0.09 0.00 0.00 178.44 179.80 3fg1 h THR 515 N 0.22 1.32 -3.46 0.22 2.02 -0.88 -3.42 112.91 108.93 3fg1 h THR 515 Ca -0.17 -2.31 -0.71 0.00 0.77 0.00 0.00 66.41 63.99 3fg1 h THR 515 Cb 1.91 2.59 -0.31 0.00 -1.74 0.00 0.00 68.15 70.61 3fg1 h THR 515 CO 0.23 0.70 -0.50 -0.31 0.37 0.00 0.00 175.52 176.01 3fg1 s TYR 516 N -3.12 3.42 0.11 3.16 1.51 0.56 -4.93 117.35 118.07 3fg1 s TYR 516 Ca -0.11 -1.90 0.10 0.00 -1.01 0.00 0.00 57.07 54.16 3fg1 s TYR 516 Cb 0.05 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 3fg1 s TYR 516 CO 0.90 -0.91 -0.26 -0.65 -1.11 0.00 0.00 175.55 173.52 3fg1 s GLN 517 N 1.31 1.52 0.48 -0.62 -0.21 -1.26 -4.63 119.66 116.25 3fg1 s GLN 517 Ca 0.04 -1.29 -0.22 0.00 0.02 0.00 0.00 55.36 53.92 3fg1 s GLN 517 Cb -0.23 -1.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.77 3fg1 s GLN 517 CO -0.01 0.47 1.12 -1.58 -2.12 0.00 0.00 175.29 173.17 3fg1 s TRP 518 N -1.01 2.87 0.09 0.91 0.52 -1.26 -0.44 118.94 120.61 3fg1 s TRP 518 Ca 0.14 1.56 -0.14 0.00 0.02 0.00 0.00 56.10 57.68 3fg1 s TRP 518 Cb -0.10 -3.28 0.02 0.00 -1.15 0.00 0.00 33.47 28.97 3fg1 s TRP 518 CO 0.05 -1.33 0.32 0.34 0.02 0.00 0.00 176.95 176.36 3fg1 s ASP 519 N -1.61 -0.12 -0.01 2.95 -1.08 0.07 -4.50 116.67 112.38 3fg1 s ASP 519 Ca 0.66 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 3fg1 s ASP 519 Cb -0.25 0.41 0.01 0.00 -1.46 0.00 0.00 42.92 41.63 3fg1 s ASP 519 CO 0.29 -0.75 -0.00 -0.31 0.52 0.00 0.00 175.17 174.92 3fg1 s TYR 520 N -3.41 0.12 0.07 -5.34 1.51 -1.26 -0.56 117.35 108.47 3fg1 s TYR 520 Ca 0.01 0.01 -0.17 0.00 -1.01 0.00 0.00 57.07 55.91 3fg1 s TYR 520 Cb 0.02 -0.13 -0.15 0.00 -0.11 0.00 0.00 41.96 41.59 3fg1 s TYR 520 CO -0.09 -0.03 1.30 0.28 -1.11 0.00 0.00 175.55 175.90 3fg1 h VAL 521 N 5.43 1.34 -3.53 0.71 2.07 -1.87 -3.48 116.25 116.92 3fg1 h VAL 521 Ca -0.30 -1.70 -0.15 0.00 0.82 0.00 0.00 66.70 65.37 3fg1 h VAL 521 Cb 1.18 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3fg1 h VAL 521 CO 0.50 0.52 0.07 -0.94 0.02 0.00 0.00 177.57 177.74 3fg1 s SER 522 N -6.64 0.48 0.47 0.57 1.04 -1.26 -5.01 113.70 103.35 3fg1 s SER 522 Ca -0.12 -1.34 0.32 0.00 0.48 0.00 0.00 55.95 55.28 3fg1 s SER 522 Cb 0.07 0.78 1.45 0.00 0.10 0.00 0.00 66.02 68.41 3fg1 s SER 522 CO 0.83 -1.54 1.95 0.44 0.98 0.00 0.00 173.24 175.90 3fg1 h ASP 523 N 2.04 0.00 -0.43 7.02 3.32 -2.01 -3.06 116.42 123.29 3fg1 h ASP 523 Ca -0.31 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 3fg1 h ASP 523 Cb 1.24 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 3fg1 h ASP 523 CO 0.40 0.00 0.07 0.47 -1.72 0.00 0.00 179.24 178.46 3fg1 n ASP 524 N -2.76 3.67 -4.23 6.45 8.00 -1.26 -4.79 116.55 121.63 3fg1 n ASP 524 Ca 0.00 -3.33 -0.23 0.00 0.71 0.00 0.00 54.79 51.95 3fg1 n ASP 524 Cb 0.21 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 3fg1 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg1 s MET 525 N -3.02 1.09 0.67 -1.24 -1.94 -1.16 -4.39 119.30 109.32 3fg1 s MET 525 Ca 0.47 -1.00 -0.17 0.00 -1.71 0.00 0.00 55.69 53.28 3fg1 s MET 525 Cb 0.39 -1.23 0.00 0.00 2.01 0.00 0.00 34.83 36.00 3fg1 s MET 525 CO 0.07 0.29 1.28 -0.35 -0.01 0.00 0.00 175.02 176.31 3fg1 n PRO 526 N 1.45 0.99 -2.02 2.03 -0.04 -1.26 -4.77 135.00 131.38 3fg1 n PRO 526 Ca -0.19 0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 3fg1 n PRO 526 Cb 0.54 -2.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.49 3fg1 n PRO 526 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fg1 s GLY 527 N -1.48 2.86 0.37 0.55 0.00 0.90 -4.72 107.32 105.80 3fg1 s GLY 527 Ca 0.82 1.17 0.05 0.00 0.00 0.00 0.00 44.72 46.75 3fg1 s GLY 527 CO 0.42 1.68 0.04 0.54 0.00 0.00 0.00 173.10 175.78 3fg1 s ASN 528 N -1.04 2.98 0.26 1.64 4.22 0.28 -3.48 114.94 119.80 3fg1 s ASN 528 Ca 0.65 -1.41 -0.30 0.00 -2.14 0.00 0.00 52.86 49.66 3fg1 s ASN 528 Cb -0.36 -0.10 -0.09 0.00 1.28 0.00 0.00 41.25 41.98 3fg1 s ASN 528 CO 0.43 -0.60 1.13 -0.51 -2.04 0.00 0.00 177.10 175.52 3fg1 s ILE 529 N -3.08 3.48 -0.30 0.54 2.07 -1.26 -0.75 121.20 121.90 3fg1 s ILE 529 Ca 0.33 1.42 -0.29 0.00 -1.41 0.00 0.00 60.65 60.70 3fg1 s ILE 529 Cb 0.08 -3.90 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 3fg1 s ILE 529 CO 0.15 0.31 1.51 -0.75 -1.91 0.00 0.00 174.94 174.25 3fg1 s LYS 530 N -1.14 3.73 -0.30 3.50 2.20 0.41 -4.66 119.74 123.48 3fg1 s LYS 530 Ca 0.47 1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 57.29 3fg1 s LYS 530 Cb -0.32 -4.01 0.16 0.00 -1.51 0.00 0.00 37.83 32.15 3fg1 s LYS 530 CO 0.40 -1.37 0.96 0.00 -0.36 0.00 0.00 175.35 174.98 3fg1 s ALA 531 N 5.22 -2.59 0.04 3.13 0.00 -1.26 -4.78 121.76 121.53 3fg1 s ALA 531 Ca 0.66 2.10 -0.23 0.00 0.00 0.00 0.00 51.96 54.49 3fg1 s ALA 531 Cb -0.20 -1.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.80 3fg1 s ALA 531 CO 0.29 -0.85 1.47 0.87 0.00 0.00 0.00 175.76 177.53 3fg1 h LYS 532 N 7.30 0.16 -4.90 0.00 1.57 -1.92 -3.46 116.57 115.31 3fg1 h LYS 532 Ca -0.18 -0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 58.18 3fg1 h LYS 532 Cb 1.13 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 3fg1 h LYS 532 CO 0.10 0.42 -0.60 0.95 -0.57 0.00 0.00 179.45 179.75 3fg1 s THR 533 N -4.96 0.54 0.26 -0.16 -4.23 -1.26 -5.00 115.64 100.81 3fg1 s THR 533 Ca -0.14 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 3fg1 s THR 533 Cb 0.05 -2.61 0.23 0.00 1.34 0.00 0.00 72.50 71.51 3fg1 s THR 533 CO 0.70 0.00 1.77 -0.74 -0.54 0.00 0.00 174.62 175.80 3fg1 h HIS 534 N 2.32 0.74 0.00 3.99 2.76 -1.89 -0.35 115.15 122.72 3fg1 h HIS 534 Ca -0.37 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3fg1 h HIS 534 Cb 1.25 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3fg1 h HIS 534 CO 0.60 0.19 0.00 -0.25 -1.30 0.00 0.00 177.93 177.17 3fg1 n ASP 535 N -4.87 0.09 0.08 3.26 10.43 -1.26 -1.65 116.55 122.63 3fg1 n ASP 535 Ca 0.16 0.52 0.13 0.00 2.57 0.00 0.00 54.79 58.16 3fg1 n ASP 535 Cb 0.40 -0.54 0.46 0.00 1.84 0.00 0.00 41.12 43.28 3fg1 n ASP 535 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3fg1 n ASP 536 N -1.60 0.56 -4.78 -2.24 8.00 -0.14 -4.88 116.55 111.47 3fg1 n ASP 536 Ca 0.04 0.58 -0.37 0.00 0.71 0.00 0.00 54.79 55.75 3fg1 n ASP 536 Cb 0.21 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 3fg1 n ASP 536 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fg1 s LEU 537 N -4.10 4.16 0.30 0.64 1.43 -0.66 -4.93 118.68 115.52 3fg1 s LEU 537 Ca 0.10 2.11 -0.28 0.00 -1.03 0.00 0.00 54.13 55.03 3fg1 s LEU 537 Cb 0.13 -4.13 -0.14 0.00 0.03 0.00 0.00 46.19 42.08 3fg1 s LEU 537 CO 0.51 -0.53 1.05 -2.65 0.23 0.00 0.00 176.35 174.96 3fg1 n PRO 538 N -0.01 1.46 0.07 1.29 -0.02 -1.26 -4.78 135.00 131.75 3fg1 n PRO 538 Ca 0.05 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 3fg1 n PRO 538 Cb 0.49 -1.92 0.53 0.00 -0.02 0.00 0.00 33.50 32.57 3fg1 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg1 h ARG 539 N 2.04 0.30 -0.40 -0.52 2.43 -1.95 -0.11 114.38 116.17 3fg1 h ARG 539 Ca -0.41 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.86 3fg1 h ARG 539 Cb 1.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3fg1 h ARG 539 CO 0.61 0.20 0.31 -0.44 -1.51 0.00 0.00 179.97 179.13 3fg1 h ASP 540 N 0.31 0.00 -0.23 -3.80 3.32 -1.94 -2.10 116.42 111.98 3fg1 h ASP 540 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fg1 h ASP 540 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fg1 h ASP 540 CO -0.03 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.82 3fg1 n VAL 541 N -4.26 0.60 -1.79 -1.35 0.24 -0.09 -4.99 118.33 106.68 3fg1 n VAL 541 Ca 0.07 -0.80 -0.32 0.00 -2.04 0.00 0.00 64.34 61.25 3fg1 n VAL 541 Cb 0.49 0.80 0.03 0.00 -1.47 0.00 0.00 33.84 33.70 3fg1 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg1 s GLN 542 N -0.99 3.07 0.51 7.34 -0.21 -0.79 -3.65 119.66 124.95 3fg1 s GLN 542 Ca 0.20 1.11 -0.21 0.00 0.02 0.00 0.00 55.36 56.48 3fg1 s GLN 542 Cb 0.12 -2.00 -0.08 0.00 1.00 0.00 0.00 33.01 32.04 3fg1 s GLN 542 CO 0.16 -1.00 0.97 1.19 -2.12 0.00 0.00 175.29 174.49 3fg1 n PHE 543 N -2.59 0.94 -0.67 0.91 3.72 -1.26 -4.89 117.46 113.63 3fg1 n PHE 543 Ca 0.08 0.49 -0.31 0.00 -0.05 0.00 0.00 57.45 57.66 3fg1 n PHE 543 Cb 0.53 -2.18 0.17 0.00 -0.94 0.00 0.00 39.48 37.07 3fg1 n PHE 543 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fg1 n THR 544 N -1.12 0.00 0.03 4.37 -2.24 -1.26 -4.77 114.28 109.29 3fg1 n THR 544 Ca 0.11 -0.04 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 3fg1 n THR 544 Cb 0.43 -0.98 0.37 0.00 -2.10 0.00 0.00 70.33 68.05 3fg1 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fg1 h ASP 545 N -1.94 0.42 -0.54 3.42 5.19 -1.94 -0.02 116.42 121.02 3fg1 h ASP 545 Ca -0.44 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3fg1 h ASP 545 Cb 1.27 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.65 3fg1 h ASP 545 CO 0.41 0.44 0.34 -0.33 -3.12 0.00 0.00 179.24 176.98 3fg1 h GLU 546 N 0.46 0.72 -0.05 3.56 3.07 -1.92 0.53 114.58 120.94 3fg1 h GLU 546 Ca 0.11 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.71 3fg1 h GLU 546 Cb 0.19 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3fg1 h GLU 546 CO -0.00 0.50 -0.83 -0.22 -1.40 0.00 0.00 179.01 177.06 3fg1 h LYS 547 N 0.73 0.43 -0.70 2.33 3.11 -1.76 -0.58 116.57 120.12 3fg1 h LYS 547 Ca 0.20 -0.40 0.03 0.00 -2.81 0.00 0.00 60.65 57.67 3fg1 h LYS 547 Cb -0.05 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.24 3fg1 h LYS 547 CO -0.04 1.05 0.44 0.77 -2.81 0.00 0.00 179.45 178.86 3fg1 h SER 548 N 0.27 0.72 -0.27 4.20 0.02 -0.83 0.64 113.55 118.30 3fg1 h SER 548 Ca -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3fg1 h SER 548 Cb 1.43 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3fg1 h SER 548 CO 0.14 0.50 0.04 -0.09 -1.14 0.00 0.00 176.83 176.28 3fg1 h ARG 549 N 0.86 0.45 -0.37 3.45 2.43 -0.76 0.76 114.38 121.20 3fg1 h ARG 549 Ca 0.28 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3fg1 h ARG 549 Cb 0.02 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3fg1 h ARG 549 CO -0.11 0.57 0.16 1.03 -1.51 0.00 0.00 179.97 180.11 3fg1 h SER 550 N 0.26 0.20 0.21 -3.80 0.87 -0.83 0.20 113.55 110.66 3fg1 h SER 550 Ca 0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3fg1 h SER 550 Cb 0.34 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3fg1 h SER 550 CO 0.01 0.16 -0.10 0.22 -0.53 0.00 0.00 176.83 176.58 3fg1 h TYR 551 N 0.33 -0.26 -0.71 2.24 3.20 -0.76 -1.61 116.97 119.41 3fg1 h TYR 551 Ca 0.16 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3fg1 h TYR 551 Cb 0.11 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3fg1 h TYR 551 CO -0.12 -0.03 0.22 1.96 -1.64 0.00 0.00 178.16 178.54 3fg1 h GLN 552 N -0.44 1.10 -0.50 1.82 1.08 -0.63 -2.17 115.11 115.36 3fg1 h GLN 552 Ca -0.03 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 3fg1 h GLN 552 Cb 0.34 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3fg1 h GLN 552 CO 0.05 0.94 0.05 0.93 -0.95 0.00 0.00 178.83 179.85 3fg1 h GLU 553 N 1.05 0.81 -0.44 1.46 4.39 -0.62 -1.64 114.58 119.59 3fg1 h GLU 553 Ca 0.23 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3fg1 h GLU 553 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3fg1 h GLU 553 CO -0.01 0.78 0.06 0.66 -1.16 0.00 0.00 179.01 179.34 3fg1 h SER 554 N 0.77 0.63 -0.28 1.42 4.64 -0.74 0.20 113.55 120.19 3fg1 h SER 554 Ca 0.16 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3fg1 h SER 554 Cb 0.39 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3fg1 h SER 554 CO 0.01 0.67 -0.14 0.03 -0.87 0.00 0.00 176.83 176.53 3fg1 h ARG 555 N 0.65 0.58 -0.31 4.77 2.47 -0.95 0.14 114.38 121.73 3fg1 h ARG 555 Ca 0.14 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3fg1 h ARG 555 Cb 0.32 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 3fg1 h ARG 555 CO 0.01 0.83 0.18 0.87 0.56 0.00 0.00 179.97 182.42 3fg1 h LYS 556 N 0.32 0.37 -0.75 0.04 1.57 -1.12 -1.93 116.57 115.08 3fg1 h LYS 556 Ca 0.06 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3fg1 h LYS 556 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3fg1 h LYS 556 CO 0.04 0.24 0.34 0.00 -0.57 0.00 0.00 179.45 179.51 3fg1 h ALA 557 N 1.13 0.96 -0.25 3.86 0.00 -0.83 -0.85 119.26 123.29 3fg1 h ALA 557 Ca 0.12 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3fg1 h ALA 557 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3fg1 h ALA 557 CO -0.05 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.74 3fg1 h ALA 558 N 1.17 0.21 -0.54 0.00 0.00 -0.84 0.14 119.26 119.41 3fg1 h ALA 558 Ca 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3fg1 h ALA 558 Cb 0.14 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fg1 h ALA 558 CO -0.03 -0.42 0.16 -0.07 0.00 0.00 0.00 179.25 178.89 3fg1 h LEU 559 N 0.07 0.79 -0.15 0.00 3.38 -0.89 0.89 115.31 119.40 3fg1 h LEU 559 Ca 0.12 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3fg1 h LEU 559 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fg1 h LEU 559 CO -0.20 0.79 0.07 0.58 0.09 0.00 0.00 178.44 179.77 3fg1 h VAL 560 N 0.74 0.99 -0.56 1.22 2.07 -1.01 0.03 116.25 119.73 3fg1 h VAL 560 Ca 0.17 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3fg1 h VAL 560 Cb 0.29 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3fg1 h VAL 560 CO -0.00 0.03 0.03 0.78 0.02 0.00 0.00 177.57 178.42 3fg1 h ASN 561 N 0.15 0.95 -0.44 0.57 2.35 -0.49 0.53 115.58 119.20 3fg1 h ASN 561 Ca 0.06 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3fg1 h ASN 561 Cb 0.02 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3fg1 h ASN 561 CO -0.05 1.01 0.27 -0.07 -1.65 0.00 0.00 177.43 176.94 3fg1 h LEU 562 N 0.86 0.44 -0.37 1.61 3.38 -0.74 0.26 115.31 120.75 3fg1 h LEU 562 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3fg1 h LEU 562 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fg1 h LEU 562 CO 0.02 0.31 0.15 1.23 0.09 0.00 0.00 178.44 180.24 3fg1 h GLY 563 N 0.54 0.60 0.72 0.83 0.00 -0.52 0.11 103.07 105.35 3fg1 h GLY 563 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3fg1 h GLY 563 CO -0.07 0.31 -0.03 -2.22 0.00 0.00 0.00 176.54 174.52 3fg1 h ILE 564 N 0.46 1.30 -0.82 2.60 2.04 -0.85 -2.32 117.51 119.92 3fg1 h ILE 564 Ca 0.12 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.10 3fg1 h ILE 564 Cb 0.19 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3fg1 h ILE 564 CO -0.01 0.28 0.45 1.23 0.00 0.00 0.00 178.15 180.10 3fg1 h GLY 565 N -0.12 1.27 0.95 5.37 0.00 -0.86 0.14 103.07 109.82 3fg1 h GLY 565 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3fg1 h GLY 565 CO 0.01 0.10 0.15 0.23 0.00 0.00 0.00 176.54 177.02 3fg1 h SER 566 N 0.74 0.34 -0.57 0.19 0.87 -0.72 -0.33 113.55 114.08 3fg1 h SER 566 Ca 0.40 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3fg1 h SER 566 Cb 0.41 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3fg1 h SER 566 CO -0.27 0.34 0.37 -0.07 -0.53 0.00 0.00 176.83 176.67 3fg1 h LEU 567 N 0.32 0.63 -0.31 2.23 3.38 -1.11 0.20 115.31 120.65 3fg1 h LEU 567 Ca 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3fg1 h LEU 567 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fg1 h LEU 567 CO -0.01 0.45 -0.01 0.15 0.09 0.00 0.00 178.44 179.11 3fg1 h PHE 568 N 0.75 0.61 -0.33 1.13 3.04 -0.69 -3.12 116.94 118.32 3fg1 h PHE 568 Ca 0.21 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3fg1 h PHE 568 Cb -0.07 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.29 3fg1 h PHE 568 CO -0.04 0.69 0.00 0.25 -2.02 0.00 0.00 178.31 177.19 3fg1 n THR 569 N -4.54 0.43 -0.29 4.41 -2.24 -0.16 -4.67 114.28 107.22 3fg1 n THR 569 Ca -0.02 -0.59 0.10 0.00 -2.27 0.00 0.00 64.05 61.27 3fg1 n THR 569 Cb 0.27 0.64 0.26 0.00 -2.10 0.00 0.00 70.33 69.40 3fg1 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg1 h MET 570 N 3.37 0.36 -0.33 -0.78 4.05 -0.89 -1.23 114.93 119.49 3fg1 h MET 570 Ca 0.00 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3fg1 h MET 570 Cb 0.75 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3fg1 h MET 570 CO 0.00 0.24 0.01 1.19 0.23 0.00 0.00 176.91 178.58 3fg1 n PHE 571 N -5.07 1.19 -3.00 1.39 3.01 -1.26 -4.98 117.46 108.74 3fg1 n PHE 571 Ca 0.19 -0.94 -0.39 0.00 1.01 0.00 0.00 57.45 57.32 3fg1 n PHE 571 Cb 0.58 -0.38 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 3fg1 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg1 s GLU 572 N -2.87 4.53 -0.21 -1.08 2.02 -0.47 -5.05 118.70 115.57 3fg1 s GLU 572 Ca 0.45 1.11 -0.12 0.00 0.02 0.00 0.00 54.97 56.44 3fg1 s GLU 572 Cb 0.36 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 3fg1 s GLU 572 CO 0.09 0.51 0.20 1.21 0.02 0.00 0.00 175.26 177.29 3fg1 s ASN 573 N -0.89 6.23 -0.27 -0.19 2.47 -1.26 -5.08 114.94 115.95 3fg1 s ASN 573 Ca 0.36 0.26 -0.18 0.00 0.42 0.00 0.00 52.86 53.72 3fg1 s ASN 573 Cb -0.22 -2.13 -0.02 0.00 -1.45 0.00 0.00 41.25 37.42 3fg1 s ASN 573 CO 0.25 0.09 0.51 0.26 -3.72 0.00 0.00 177.10 174.49 3fg1 s TRP 574 N 0.79 3.25 -0.11 0.43 0.52 -1.26 -4.90 118.94 117.66 3fg1 s TRP 574 Ca 0.10 0.58 0.01 0.00 0.02 0.00 0.00 56.10 56.81 3fg1 s TRP 574 Cb -0.13 -2.75 0.01 0.00 -1.15 0.00 0.00 33.47 29.45 3fg1 s TRP 574 CO 0.03 -0.32 0.45 -0.40 0.02 0.00 0.00 176.95 176.73 3fg1 n ASP 575 N 5.57 0.91 -4.14 2.95 5.68 -1.26 -5.04 116.55 121.23 3fg1 n ASP 575 Ca -0.04 -0.96 -0.10 0.00 -0.50 0.00 0.00 54.79 53.19 3fg1 n ASP 575 Cb 0.50 0.17 -0.10 0.00 -1.14 0.00 0.00 41.12 40.55 3fg1 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg1 s SER 576 N -0.25 0.23 0.24 -1.12 1.04 -1.26 -4.99 113.70 107.59 3fg1 s SER 576 Ca 0.01 -1.21 -0.04 0.00 0.48 0.00 0.00 55.95 55.19 3fg1 s SER 576 Cb 0.01 0.34 0.26 0.00 0.10 0.00 0.00 66.02 66.73 3fg1 s SER 576 CO 0.02 -0.79 1.75 1.88 0.98 0.00 0.00 173.24 177.08 3fg1 h TYR 577 N 2.75 0.97 0.00 5.02 0.99 -1.96 -3.19 116.97 121.55 3fg1 h TYR 577 Ca -0.35 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3fg1 h TYR 577 Cb 1.22 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 38.68 3fg1 h TYR 577 CO 0.41 0.85 0.00 -0.25 -0.00 0.00 0.00 178.16 179.16 3fg1 n ASP 578 N -4.22 0.35 0.27 3.88 8.00 -1.26 -1.57 116.55 122.01 3fg1 n ASP 578 Ca 0.03 0.60 0.14 0.00 0.71 0.00 0.00 54.79 56.28 3fg1 n ASP 578 Cb 0.29 -0.67 0.79 0.00 -0.02 0.00 0.00 41.12 41.50 3fg1 n ASP 578 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fg1 h ASP 579 N 0.00 0.00 1.24 -2.24 3.45 -1.97 -2.72 116.42 114.18 3fg1 h ASP 579 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fg1 h ASP 579 Cb 0.25 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3fg1 h ASP 579 CO 0.00 0.09 -0.00 1.88 -1.57 0.00 0.00 179.24 179.64 3fg1 h TYR 580 N 0.00 0.00 0.00 4.55 -1.99 -1.51 -3.17 116.97 114.85 3fg1 h TYR 580 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3fg1 h TYR 580 Cb 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 3fg1 h TYR 580 CO 0.00 0.00 -0.08 0.45 -0.00 0.00 0.00 178.16 178.53 3fg1 h HIS 581 N 0.00 0.00 0.00 4.88 3.86 -1.67 -2.43 115.15 119.79 3fg1 h HIS 581 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fg1 h HIS 581 Cb 0.62 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 3fg1 h HIS 581 CO 0.00 0.08 -0.02 0.97 0.86 0.00 0.00 177.93 179.82 3fg1 h ILE 582 N 0.00 0.50 0.00 2.45 6.09 -1.76 -3.17 117.51 121.63 3fg1 h ILE 582 Ca -0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3fg1 h ILE 582 Cb 0.15 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3fg1 h ILE 582 CO 0.01 0.02 0.00 -0.07 -3.07 0.00 0.00 178.15 175.04 3fg1 h LEU 583 N 0.00 0.00 -0.82 2.19 3.38 -1.68 -2.75 115.31 115.63 3fg1 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 583 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fg1 h LEU 583 CO 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.11 3fg1 n TYR 584 N -2.87 0.00 -0.28 1.13 0.18 -1.20 -4.65 117.16 109.47 3fg1 n TYR 584 Ca 0.03 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.76 3fg1 n TYR 584 Cb 0.41 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.43 3fg1 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg1 h ARG 585 N 1.79 1.07 -0.73 -3.48 2.43 -1.56 -2.67 114.38 111.22 3fg1 h ARG 585 Ca 0.00 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3fg1 h ARG 585 Cb 0.59 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3fg1 h ARG 585 CO 0.00 0.81 0.03 0.27 -1.51 0.00 0.00 179.97 179.57 3fg1 n ASN 586 N -4.43 4.20 -4.56 -3.80 6.94 -1.26 -4.90 115.26 107.46 3fg1 n ASN 586 Ca 0.07 -2.67 -0.32 0.00 -0.02 0.00 0.00 54.58 51.64 3fg1 n ASN 586 Cb 0.10 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.78 3fg1 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg1 s TRP 587 N -2.21 2.82 -0.60 -2.53 0.52 -1.01 -4.94 118.94 110.99 3fg1 s TRP 587 Ca 0.37 -0.08 -0.24 0.00 0.02 0.00 0.00 56.10 56.18 3fg1 s TRP 587 Cb 0.29 -1.61 0.05 0.00 -1.15 0.00 0.00 33.47 31.05 3fg1 s TRP 587 CO 0.11 0.32 0.97 0.42 0.02 0.00 0.00 176.95 178.79 3fg1 s ILE 588 N -0.91 4.32 -0.27 2.03 -1.09 -1.26 -4.82 121.20 119.19 3fg1 s ILE 588 Ca 0.15 0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 3fg1 s ILE 588 Cb -0.11 -4.61 -0.01 0.00 -1.58 0.00 0.00 42.46 36.16 3fg1 s ILE 588 CO 0.05 -1.27 0.35 0.18 -1.23 0.00 0.00 174.94 173.02 3fg1 n LEU 589 N 7.67 0.66 0.00 2.97 4.77 -1.26 -4.98 117.00 126.83 3fg1 n LEU 589 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3fg1 n LEU 589 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3fg1 n LEU 589 CO 0.64 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3fg1 n GLY 590 N 0.67 0.65 0.00 -0.72 0.00 -1.26 -4.98 105.19 99.55 3fg1 n GLY 590 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3fg1 n GLY 590 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 591 N -2.45 3.89 3.61 -0.02 0.00 -1.26 -5.05 105.19 103.91 3fg1 n GLY 591 Ca 0.00 -1.59 -0.48 0.00 0.00 0.00 0.00 46.02 43.94 3fg1 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg1 n THR 592 N -1.43 0.72 -1.56 2.61 -1.04 -1.26 -4.86 114.28 107.46 3fg1 n THR 592 Ca 0.00 -0.18 -0.53 0.00 -2.04 0.00 0.00 64.05 61.30 3fg1 n THR 592 Cb 0.00 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 3fg1 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg1 n PRO 593 N 2.03 0.79 0.00 -2.82 -0.02 -1.26 -4.83 135.00 128.89 3fg1 n PRO 593 Ca 0.15 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3fg1 n PRO 593 Cb 0.25 -1.84 0.63 0.00 -0.02 0.00 0.00 33.50 32.52 3fg1 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg1 n ASN 594 N 2.13 0.00 -0.42 2.55 2.04 -1.26 -1.89 115.26 118.40 3fg1 n ASN 594 Ca 0.18 -0.38 0.09 0.00 -0.44 0.00 0.00 54.58 54.03 3fg1 n ASN 594 Cb 0.17 -0.14 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 3fg1 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg1 n MET 595 N -1.14 1.58 -0.14 -3.83 2.81 -1.26 -4.65 117.12 110.49 3fg1 n MET 595 Ca 0.14 -0.92 0.12 0.00 -1.81 0.00 0.00 57.70 55.23 3fg1 n MET 595 Cb 0.13 -1.32 0.46 0.00 -0.71 0.00 0.00 33.22 31.78 3fg1 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg1 h ALA 596 N 3.07 1.97 -0.02 3.04 0.00 -1.68 0.26 119.26 125.90 3fg1 h ALA 596 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fg1 h ALA 596 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3fg1 h ALA 596 CO 0.00 -0.13 -0.04 -0.40 0.00 0.00 0.00 179.25 178.68 3fg1 n ASP 597 N -4.48 1.77 0.00 0.00 3.85 -1.26 -4.49 116.55 111.93 3fg1 n ASP 597 Ca 0.12 -1.54 0.00 0.00 -0.71 0.00 0.00 54.79 52.66 3fg1 n ASP 597 Cb 0.40 0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.20 3fg1 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg1 n ARG 598 N 0.32 0.00 -0.10 0.11 1.85 -0.45 -4.89 116.66 113.50 3fg1 n ARG 598 Ca 0.17 -0.24 0.23 0.00 -1.00 0.00 0.00 57.85 57.01 3fg1 n ARG 598 Cb 0.41 -0.33 0.68 0.00 -1.05 0.00 0.00 32.46 32.16 3fg1 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg1 h TRP 599 N 0.00 0.08 0.00 2.89 5.08 -0.77 -2.50 115.95 120.73 3fg1 h TRP 599 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fg1 h TRP 599 Cb 0.86 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 3fg1 h TRP 599 CO 0.00 0.03 -0.39 -2.39 -1.28 0.00 0.00 178.44 174.41 3fg1 n HIS 600 N -4.35 0.36 -2.92 0.12 1.44 -1.26 -4.44 115.22 104.17 3fg1 n HIS 600 Ca 0.14 0.10 -0.41 0.00 -2.01 0.00 0.00 57.72 55.55 3fg1 n HIS 600 Cb 0.74 -0.56 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 3fg1 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fg1 s GLU 601 N -3.08 4.49 0.38 -1.40 2.02 -0.94 -4.96 118.70 115.21 3fg1 s GLU 601 Ca 0.10 1.09 0.08 0.00 0.02 0.00 0.00 54.97 56.26 3fg1 s GLU 601 Cb 0.15 -3.44 0.83 0.00 0.10 0.00 0.00 34.13 31.77 3fg1 s GLU 601 CO 0.66 0.05 1.97 -0.44 0.02 0.00 0.00 175.26 177.52 3fg1 h ASP 602 N 6.65 0.57 -0.82 -0.19 3.32 -1.88 -0.55 116.42 123.52 3fg1 h ASP 602 Ca -0.41 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 3fg1 h ASP 602 Cb 1.21 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 3fg1 h ASP 602 CO 0.75 0.36 0.42 -0.09 -1.72 0.00 0.00 179.24 178.96 3fg1 h ARG 603 N 0.65 1.16 0.00 3.56 2.43 -1.93 -1.66 114.38 118.58 3fg1 h ARG 603 Ca 0.30 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3fg1 h ARG 603 Cb 0.33 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3fg1 h ARG 603 CO -0.10 0.88 -0.82 -1.49 -1.51 0.00 0.00 179.97 176.93 3fg1 h TRP 604 N 1.15 0.00 -0.23 2.20 4.06 -1.52 -1.25 115.95 120.35 3fg1 h TRP 604 Ca 0.28 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.23 3fg1 h TRP 604 Cb 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3fg1 h TRP 604 CO 0.01 0.35 0.14 0.35 -3.56 0.00 0.00 178.44 175.73 3fg1 h PHE 605 N 0.00 0.30 -0.34 0.49 3.57 -0.96 -3.19 116.94 116.81 3fg1 h PHE 605 Ca -0.05 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 3fg1 h PHE 605 Cb 1.31 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3fg1 h PHE 605 CO 0.00 0.22 -0.28 0.78 -2.23 0.00 0.00 178.31 176.79 3fg1 h GLY 606 N 0.29 0.87 -0.64 2.40 0.00 -1.23 -3.23 103.07 101.53 3fg1 h GLY 606 Ca 0.08 -0.86 0.29 0.00 0.00 0.00 0.00 47.33 46.84 3fg1 h GLY 606 CO -0.02 0.78 0.32 -1.82 0.00 0.00 0.00 176.54 175.80 3fg1 h TYR 607 N 0.58 0.48 0.00 5.60 3.20 -1.26 -0.33 116.97 125.24 3fg1 h TYR 607 Ca 0.06 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3fg1 h TYR 607 Cb 0.85 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3fg1 h TYR 607 CO 0.07 -0.28 0.00 1.04 -1.64 0.00 0.00 178.16 177.34 3fg1 n GLN 608 N -5.24 0.08 0.19 1.82 6.02 -1.21 -1.38 117.38 117.67 3fg1 n GLN 608 Ca 0.26 0.21 0.14 0.00 -0.01 0.00 0.00 57.00 57.60 3fg1 n GLN 608 Cb 0.85 -1.62 0.50 0.00 1.02 0.00 0.00 30.24 30.99 3fg1 n GLN 608 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3fg1 h PHE 609 N 0.00 0.00 0.02 1.08 -1.00 -1.20 -1.46 116.94 114.38 3fg1 h PHE 609 Ca 0.00 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 60.39 3fg1 h PHE 609 Cb 0.42 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.92 3fg1 h PHE 609 CO 0.00 0.00 -2.40 1.28 -1.61 0.00 0.00 178.31 175.58 3fg1 n LEU 610 N -2.66 2.80 -0.05 1.54 4.77 -0.59 -4.32 117.00 118.50 3fg1 n LEU 610 Ca 0.02 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 3fg1 n LEU 610 Cb 0.33 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.50 3fg1 n LEU 610 CO 0.26 0.88 0.40 0.59 -1.33 0.00 0.00 177.39 178.18 3fg1 n ASN 611 N -3.42 1.14 -0.15 -1.43 3.02 -0.48 -4.36 115.26 109.58 3fg1 n ASN 611 Ca -0.45 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3fg1 n ASN 611 Cb 0.98 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 3fg1 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg1 n GLY 612 N -0.37 1.84 0.19 7.41 0.00 -0.55 -4.92 105.19 108.79 3fg1 n GLY 612 Ca 0.02 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.20 3fg1 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 613 N -1.05 0.90 -2.01 4.61 0.00 -1.82 -3.36 119.26 116.53 3fg1 h ALA 613 Ca 0.00 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 3fg1 h ALA 613 Cb 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 17.79 17.32 3fg1 h ALA 613 CO 0.00 0.41 -0.79 -1.71 0.00 0.00 0.00 179.25 177.16 3fg1 n ASN 614 N -3.33 3.72 -1.11 0.00 4.05 -1.26 -4.41 115.26 112.92 3fg1 n ASN 614 Ca 0.01 -3.52 0.00 0.00 0.45 0.00 0.00 54.58 51.52 3fg1 n ASN 614 Cb 0.55 -0.55 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3fg1 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg1 n PRO 615 N -0.19 1.00 0.00 1.20 -0.04 -1.26 -4.02 135.00 131.69 3fg1 n PRO 615 Ca 0.30 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 3fg1 n PRO 615 Cb 0.51 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 3fg1 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg1 n VAL 616 N 0.72 0.00 -0.06 0.52 0.24 -1.26 -4.74 118.33 113.74 3fg1 n VAL 616 Ca 0.00 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 3fg1 n VAL 616 Cb 0.50 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 3fg1 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg1 n ILE 617 N -0.23 0.80 -1.72 1.34 3.06 -1.26 -5.00 119.36 116.36 3fg1 n ILE 617 Ca 0.01 -0.44 -0.43 0.00 -2.50 0.00 0.00 62.75 59.40 3fg1 n ILE 617 Cb 0.05 -0.80 -0.03 0.00 0.54 0.00 0.00 39.64 39.40 3fg1 n ILE 617 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3fg1 n LEU 618 N -2.58 3.93 -4.10 9.51 7.94 -1.26 -4.75 117.00 125.69 3fg1 n LEU 618 Ca -0.21 1.08 -0.17 0.00 -1.11 0.00 0.00 56.01 55.60 3fg1 n LEU 618 Cb 0.84 -1.56 -0.13 0.00 0.53 0.00 0.00 43.42 43.11 3fg1 n LEU 618 CO 0.21 0.10 -0.44 -0.89 -1.11 0.00 0.00 177.39 175.27 3fg1 s THR 619 N 0.88 0.85 0.23 1.96 2.01 -0.16 -4.88 115.64 116.53 3fg1 s THR 619 Ca 0.73 -0.95 -0.32 0.00 0.31 0.00 0.00 61.69 61.47 3fg1 s THR 619 Cb -0.53 -0.81 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 3fg1 s THR 619 CO 0.36 -0.12 1.70 -1.14 -0.69 0.00 0.00 174.62 174.74 3fg1 n ARG 620 N 1.85 2.77 -3.09 4.92 0.63 0.77 -0.47 116.66 124.04 3fg1 n ARG 620 Ca -0.19 1.00 -0.42 0.00 -0.92 0.00 0.00 57.85 57.31 3fg1 n ARG 620 Cb 0.55 -2.83 -0.06 0.00 0.45 0.00 0.00 32.46 30.57 3fg1 n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fg1 n ASP 622 N 6.19 1.28 -3.75 0.00 8.00 -1.26 -4.76 116.55 122.25 3fg1 n ASP 622 Ca -0.01 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 3fg1 n ASP 622 Cb 0.48 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.38 3fg1 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ALA 623 N -2.54 -0.69 0.24 2.24 0.00 -1.26 -4.84 121.76 114.91 3fg1 s ALA 623 Ca -0.19 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3fg1 s ALA 623 Cb 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 23.12 22.47 3fg1 s ALA 623 CO 0.75 -0.18 1.46 1.28 0.00 0.00 0.00 175.76 179.07 3fg1 n LEU 624 N 3.61 3.33 -4.72 0.00 7.99 -1.26 -4.93 117.00 121.02 3fg1 n LEU 624 Ca -0.19 1.14 -0.42 0.00 -0.01 0.00 0.00 56.01 56.52 3fg1 n LEU 624 Cb 0.56 -1.46 -0.01 0.00 -0.11 0.00 0.00 43.42 42.40 3fg1 n LEU 624 CO 0.15 -0.35 0.97 -2.65 -1.51 0.00 0.00 177.39 173.99 3fg1 n PRO 625 N 2.23 2.27 -0.24 3.23 -0.02 -1.26 -4.86 135.00 136.35 3fg1 n PRO 625 Ca 0.12 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 3fg1 n PRO 625 Cb 0.32 -2.42 0.49 0.00 -0.02 0.00 0.00 33.50 31.87 3fg1 n PRO 625 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg1 h SER 626 N 2.72 0.45 -0.11 2.55 4.64 -2.02 0.39 113.55 122.17 3fg1 h SER 626 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3fg1 h SER 626 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fg1 h SER 626 CO 0.63 0.19 0.00 -0.46 -0.87 0.00 0.00 176.83 176.33 3fg1 n ASN 627 N -4.52 0.74 -3.47 4.97 0.23 -1.26 -4.24 115.26 107.71 3fg1 n ASN 627 Ca 0.18 -1.76 -0.26 0.00 -0.53 0.00 0.00 54.58 52.21 3fg1 n ASN 627 Cb 0.64 -0.07 -0.09 0.00 -2.08 0.00 0.00 39.78 38.18 3fg1 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3fg1 n PHE 628 N -0.20 1.13 -1.34 -2.53 7.35 0.13 -3.94 117.46 118.06 3fg1 n PHE 628 Ca 0.10 -3.78 -0.37 0.00 -0.76 0.00 0.00 57.45 52.63 3fg1 n PHE 628 Cb 0.15 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.68 3fg1 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg1 n PRO 629 N 1.87 3.66 -2.50 -7.13 -0.04 -1.26 -4.55 135.00 125.04 3fg1 n PRO 629 Ca 0.25 -2.21 -0.41 0.00 -0.04 0.00 0.00 63.50 61.09 3fg1 n PRO 629 Cb 0.45 -2.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.13 3fg1 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg1 s VAL 630 N 1.85 3.66 0.30 0.52 1.01 -1.26 -5.04 120.40 121.44 3fg1 s VAL 630 Ca 0.69 1.57 0.10 0.00 0.00 0.00 0.00 61.98 64.34 3fg1 s VAL 630 Cb 0.19 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3fg1 s VAL 630 CO -0.06 0.33 -0.10 0.42 0.00 0.00 0.00 175.10 175.69 3fg1 s THR 631 N -0.78 2.65 -0.52 3.92 -4.23 -1.26 -5.01 115.64 110.41 3fg1 s THR 631 Ca 0.46 -2.19 0.21 0.00 -1.18 0.00 0.00 61.69 59.00 3fg1 s THR 631 Cb -0.31 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.19 3fg1 s THR 631 CO 0.38 -0.32 1.65 -3.20 -0.54 0.00 0.00 174.62 172.59 3fg1 n ASN 632 N -0.77 0.55 0.29 3.99 5.15 -1.26 -2.55 115.26 120.66 3fg1 n ASN 632 Ca -0.05 0.66 -0.12 0.00 -0.60 0.00 0.00 54.58 54.46 3fg1 n ASN 632 Cb 0.61 -0.76 -0.06 0.00 -0.53 0.00 0.00 39.78 39.04 3fg1 n ASN 632 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3fg1 h GLU 633 N 0.00 -0.75 -0.85 1.20 3.07 -2.00 -2.17 114.58 113.07 3fg1 h GLU 633 Ca 0.00 0.05 0.24 0.00 -0.50 0.00 0.00 59.36 59.15 3fg1 h GLU 633 Cb 0.28 0.17 -0.16 0.00 -0.84 0.00 0.00 28.75 28.21 3fg1 h GLU 633 CO 0.00 -0.50 0.02 0.72 -1.40 0.00 0.00 179.01 177.85 3fg1 n HIS 634 N -5.07 0.55 0.41 4.33 8.25 -1.06 -3.13 115.22 119.50 3fg1 n HIS 634 Ca -0.10 1.02 0.04 0.00 -0.26 0.00 0.00 57.72 58.43 3fg1 n HIS 634 Cb 0.31 -1.14 -0.04 0.00 1.12 0.00 0.00 29.99 30.24 3fg1 n HIS 634 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3fg1 n VAL 635 N -5.22 0.00 -0.33 1.59 0.31 -1.19 -4.74 118.33 108.75 3fg1 n VAL 635 Ca 0.20 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 3fg1 n VAL 635 Cb 0.66 1.03 0.22 0.00 -0.91 0.00 0.00 33.84 34.84 3fg1 n VAL 635 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3fg1 h ASN 636 N 0.29 0.95 0.36 4.52 -1.24 -1.33 -0.36 115.58 118.77 3fg1 h ASN 636 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3fg1 h ASN 636 Cb 0.24 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3fg1 h ASN 636 CO 0.00 0.59 0.00 0.00 -1.29 0.00 0.00 177.43 176.73 3fg1 h ALA 637 N 1.50 1.00 0.00 1.57 0.00 -1.85 -2.56 119.26 118.92 3fg1 h ALA 637 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 3fg1 h ALA 637 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3fg1 h ALA 637 CO -0.17 0.00 -0.99 0.77 0.00 0.00 0.00 179.25 178.85 3fg1 h SER 638 N 0.00 0.00 -4.15 0.00 0.02 -1.42 -3.47 113.55 104.54 3fg1 h SER 638 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3fg1 h SER 638 Cb 0.18 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.76 3fg1 h SER 638 CO 0.00 0.70 0.38 -0.76 -1.14 0.00 0.00 176.83 176.00 3fg1 s LEU 639 N -6.30 3.65 0.00 5.07 1.43 -0.96 -5.00 118.68 116.56 3fg1 s LEU 639 Ca 0.01 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3fg1 s LEU 639 Cb 0.08 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.77 3fg1 s LEU 639 CO 0.79 -0.93 0.52 -0.90 0.23 0.00 0.00 176.35 176.07 3fg1 n ASP 640 N -1.57 0.00 -0.02 2.29 5.75 -1.26 -4.91 116.55 116.84 3fg1 n ASP 640 Ca 0.09 -1.24 0.04 0.00 -0.01 0.00 0.00 54.79 53.67 3fg1 n ASP 640 Cb 0.53 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 3fg1 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg1 n ARG 641 N 0.00 0.71 0.00 0.11 1.74 -1.26 -4.81 116.66 113.14 3fg1 n ARG 641 Ca 0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3fg1 n ARG 641 Cb 0.55 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3fg1 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg1 n GLY 642 N 1.90 1.32 3.57 -0.13 0.00 -1.26 -5.13 105.19 105.46 3fg1 n GLY 642 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3fg1 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg1 s LYS 643 N 0.00 1.86 0.59 1.61 1.02 -1.26 -5.17 119.74 118.39 3fg1 s LYS 643 Ca 0.00 -2.05 0.09 0.00 0.02 0.00 0.00 55.97 54.03 3fg1 s LYS 643 Cb 0.00 -1.37 0.09 0.00 -0.52 0.00 0.00 37.83 36.03 3fg1 s LYS 643 CO 0.00 -0.11 0.74 -0.80 -0.92 0.00 0.00 175.35 174.26 3fg1 s ASN 644 N -3.64 4.93 0.08 2.83 0.01 -1.26 -4.79 114.94 113.10 3fg1 s ASN 644 Ca 0.35 -1.00 -0.33 0.00 -0.71 0.00 0.00 52.86 51.17 3fg1 s ASN 644 Cb 0.09 0.47 -0.15 0.00 0.41 0.00 0.00 41.25 42.07 3fg1 s ASN 644 CO 0.17 -1.38 1.51 0.25 -1.51 0.00 0.00 177.10 176.14 3fg1 h LEU 645 N 0.24 -1.33 -2.01 0.60 5.85 -1.94 0.95 115.31 117.68 3fg1 h LEU 645 Ca -0.30 0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.70 3fg1 h LEU 645 Cb 1.29 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 3fg1 h LEU 645 CO 0.44 -0.59 0.44 0.44 -0.34 0.00 0.00 178.44 178.83 3fg1 h ASP 646 N -0.87 0.00 -0.01 1.25 3.32 -1.98 0.28 116.42 118.42 3fg1 h ASP 646 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3fg1 h ASP 646 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3fg1 h ASP 646 CO -0.11 0.00 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.88 3fg1 h GLU 647 N 0.00 0.15 0.00 3.56 5.08 -1.80 -2.98 114.58 118.58 3fg1 h GLU 647 Ca 0.27 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3fg1 h GLU 647 Cb 1.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3fg1 h GLU 647 CO -0.00 0.87 -0.22 0.93 -1.00 0.00 0.00 179.01 179.59 3fg1 h GLU 648 N -0.52 0.00 -0.76 2.33 4.39 0.56 0.41 114.58 121.00 3fg1 h GLU 648 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3fg1 h GLU 648 Cb 0.93 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 3fg1 h GLU 648 CO 0.04 0.22 0.36 0.82 -1.16 0.00 0.00 179.01 179.28 3fg1 h ILE 649 N 0.00 1.24 -0.01 3.13 2.04 -1.07 -1.58 117.51 121.26 3fg1 h ILE 649 Ca -0.00 -0.68 -0.17 0.00 1.00 0.00 0.00 64.86 65.01 3fg1 h ILE 649 Cb 0.40 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3fg1 h ILE 649 CO 0.03 0.29 -0.77 0.11 0.00 0.00 0.00 178.15 177.81 3fg1 h LYS 650 N 1.08 0.11 0.00 2.37 6.56 -1.03 -3.17 116.57 122.48 3fg1 h LYS 650 Ca 0.26 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 3fg1 h LYS 650 Cb 0.12 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3fg1 h LYS 650 CO -0.03 0.82 0.00 -0.25 -2.06 0.00 0.00 179.45 177.93 3fg1 n ASP 651 N -3.69 0.00 -2.24 0.86 9.92 0.00 -4.92 116.55 116.48 3fg1 n ASP 651 Ca -0.02 0.43 -0.14 0.00 -0.53 0.00 0.00 54.79 54.53 3fg1 n ASP 651 Cb 0.74 -0.47 0.04 0.00 -0.64 0.00 0.00 41.12 40.79 3fg1 n ASP 651 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fg1 n GLY 652 N 0.40 0.04 0.21 0.44 0.00 -1.05 -4.96 105.19 100.27 3fg1 n GLY 652 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.95 3fg1 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg1 n HIS 653 N -4.00 0.01 -4.57 1.61 8.25 -0.62 -4.66 115.22 111.24 3fg1 n HIS 653 Ca -0.01 -0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 3fg1 n HIS 653 Cb 0.54 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.51 3fg1 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg1 s ILE 654 N -0.46 2.93 0.24 1.59 -1.09 -1.24 -0.99 121.20 122.19 3fg1 s ILE 654 Ca 0.06 -0.69 0.11 0.00 -2.23 0.00 0.00 60.65 57.90 3fg1 s ILE 654 Cb 0.04 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.63 3fg1 s ILE 654 CO 0.06 0.51 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.78 3fg1 s TYR 655 N 0.67 2.11 0.01 3.97 1.51 0.02 -0.96 117.35 124.68 3fg1 s TYR 655 Ca -0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3fg1 s TYR 655 Cb -0.15 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 3fg1 s TYR 655 CO 0.02 0.57 0.00 -1.50 -1.11 0.00 0.00 175.55 173.54 3fg1 s ILE 656 N -2.45 0.08 -0.02 2.71 2.07 0.38 0.03 121.20 124.00 3fg1 s ILE 656 Ca 0.26 -0.64 0.08 0.00 -1.41 0.00 0.00 60.65 58.93 3fg1 s ILE 656 Cb -0.05 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 3fg1 s ILE 656 CO 0.12 -0.35 -0.26 0.68 -1.91 0.00 0.00 174.94 173.22 3fg1 s VAL 657 N -1.06 2.05 -0.22 4.00 -7.23 -0.36 -0.99 120.40 116.60 3fg1 s VAL 657 Ca -0.12 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 3fg1 s VAL 657 Cb -0.07 -1.70 0.07 0.00 0.56 0.00 0.00 36.38 35.23 3fg1 s VAL 657 CO -0.00 0.58 0.06 -0.62 -0.31 0.00 0.00 175.10 174.80 3fg1 s ASP 658 N -0.58 3.08 -0.23 4.85 2.15 -1.26 -1.14 116.67 123.53 3fg1 s ASP 658 Ca 0.09 -0.96 0.04 0.00 0.43 0.00 0.00 52.55 52.15 3fg1 s ASP 658 Cb -0.10 -0.59 0.42 0.00 -0.30 0.00 0.00 42.92 42.35 3fg1 s ASP 658 CO -0.01 -0.34 1.47 0.49 -0.17 0.00 0.00 175.17 176.62 3fg1 n PHE 659 N 5.05 1.67 0.33 -5.34 3.01 0.31 -4.65 117.46 117.85 3fg1 n PHE 659 Ca -0.08 -1.08 0.19 0.00 1.01 0.00 0.00 57.45 57.49 3fg1 n PHE 659 Cb 0.46 -0.58 1.00 0.00 -0.01 0.00 0.00 39.48 40.35 3fg1 n PHE 659 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3fg1 h LYS 660 N 1.03 0.00 0.00 -1.08 2.10 -1.78 -0.15 116.57 116.70 3fg1 h LYS 660 Ca 0.28 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3fg1 h LYS 660 Cb 1.93 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.26 3fg1 h LYS 660 CO 0.57 0.00 -0.01 -0.24 -2.00 0.00 0.00 179.45 177.77 3fg1 h VAL 661 N 0.00 0.05 0.00 0.07 3.04 -1.95 -1.75 116.25 115.72 3fg1 h VAL 661 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3fg1 h VAL 661 Cb 0.37 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3fg1 h VAL 661 CO -0.00 0.01 0.00 -0.07 -1.01 0.00 0.00 177.57 176.50 3fg1 h LEU 662 N 0.00 0.00 -9.41 3.16 3.38 -1.33 -3.45 115.31 107.65 3fg1 h LEU 662 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3fg1 h LEU 662 Cb 0.19 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.00 3fg1 h LEU 662 CO 0.00 0.00 0.62 0.52 0.09 0.00 0.00 178.44 179.67 3fg1 n VAL 663 N -2.63 0.15 -0.27 1.22 0.31 -0.66 -1.30 118.33 115.15 3fg1 n VAL 663 Ca 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3fg1 n VAL 663 Cb 0.39 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3fg1 n VAL 663 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fg1 n GLY 664 N 2.87 0.73 3.74 2.92 0.00 0.83 -5.01 105.19 111.28 3fg1 n GLY 664 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3fg1 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 s ALA 665 N -2.61 3.62 -0.31 4.61 0.00 -0.42 -4.51 121.76 122.15 3fg1 s ALA 665 Ca 0.00 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 3fg1 s ALA 665 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3fg1 s ALA 665 CO 0.00 -0.71 0.30 0.21 0.00 0.00 0.00 175.76 175.55 3fg1 s LYS 666 N -0.17 3.76 0.42 0.00 2.20 -1.26 -0.95 119.74 123.73 3fg1 s LYS 666 Ca 0.60 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 3fg1 s LYS 666 Cb -0.41 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 3fg1 s LYS 666 CO 0.41 -0.36 0.63 -1.12 -0.36 0.00 0.00 175.35 174.55 3fg1 s SER 667 N 1.72 6.01 0.36 1.43 0.01 0.28 -3.94 113.70 119.57 3fg1 s SER 667 Ca 0.10 0.36 -0.27 0.00 1.31 0.00 0.00 55.95 57.45 3fg1 s SER 667 Cb -0.16 -1.73 -0.12 0.00 0.21 0.00 0.00 66.02 64.22 3fg1 s SER 667 CO 0.11 -0.56 1.20 0.00 0.41 0.00 0.00 173.24 174.40 3fg1 n TYR 668 N -1.98 1.91 0.00 2.43 9.36 0.36 -2.00 117.16 127.24 3fg1 n TYR 668 Ca -0.01 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.78 3fg1 n TYR 668 Cb 0.57 -2.35 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 3fg1 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 669 N 0.91 2.74 0.00 2.98 0.00 -1.25 -1.47 105.19 109.10 3fg1 n GLY 669 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3fg1 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 670 N 0.00 1.08 3.68 -0.02 0.00 -0.85 -5.01 105.19 104.08 3fg1 n GLY 670 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3fg1 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg1 n PRO 671 N 0.00 2.38 -4.08 1.61 -0.02 -1.25 -4.73 135.00 128.90 3fg1 n PRO 671 Ca 0.00 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 3fg1 n PRO 671 Cb 0.00 -2.67 -0.12 0.00 -0.02 0.00 0.00 33.50 30.69 3fg1 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg1 s VAL 672 N 1.51 4.14 0.07 -1.45 1.01 -1.26 -0.56 120.40 123.86 3fg1 s VAL 672 Ca 0.80 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 3fg1 s VAL 672 Cb -0.62 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3fg1 s VAL 672 CO 0.38 0.43 1.11 -0.22 0.00 0.00 0.00 175.10 176.80 3fg1 s LEU 673 N 0.85 4.40 0.44 3.92 2.96 -0.13 -4.77 118.68 126.35 3fg1 s LEU 673 Ca 0.01 1.92 0.07 0.00 -0.22 0.00 0.00 54.13 55.91 3fg1 s LEU 673 Cb -0.14 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3fg1 s LEU 673 CO 0.02 -0.34 0.19 -1.83 -1.32 0.00 0.00 176.35 173.06 3fg1 s GLU 674 N 0.72 2.22 0.54 1.98 -1.05 0.87 -0.12 118.70 123.86 3fg1 s GLU 674 Ca 0.54 -1.91 0.22 0.00 -0.15 0.00 0.00 54.97 53.67 3fg1 s GLU 674 Cb -0.27 -1.95 1.40 0.00 -0.44 0.00 0.00 34.13 32.87 3fg1 s GLU 674 CO 0.30 -0.19 2.10 0.38 0.95 0.00 0.00 175.26 178.80 3fg1 h ASP 675 N 1.35 0.00 0.07 0.83 3.04 -1.97 -1.41 116.42 118.32 3fg1 h ASP 675 Ca -0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 3fg1 h ASP 675 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3fg1 h ASP 675 CO 0.69 0.00 -0.36 2.30 -2.04 0.00 0.00 179.24 179.83 3fg1 n ILE 676 N -4.35 0.00 0.00 4.15 -6.64 -1.26 -0.20 119.36 111.06 3fg1 n ILE 676 Ca 0.02 -0.23 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 3fg1 n ILE 676 Cb 0.29 0.94 0.00 0.00 -1.44 0.00 0.00 39.64 39.44 3fg1 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fg1 n GLY 677 N 1.38 0.23 3.15 3.28 0.00 -0.53 -4.89 105.19 107.80 3fg1 n GLY 677 Ca 0.11 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3fg1 n GLY 677 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg1 s TYR 678 N 0.00 2.88 -0.36 1.61 1.51 -1.26 -0.09 117.35 121.63 3fg1 s TYR 678 Ca 0.00 -1.62 0.05 0.00 -1.01 0.00 0.00 57.07 54.49 3fg1 s TYR 678 Cb 0.00 -1.96 0.52 0.00 -0.11 0.00 0.00 41.96 40.41 3fg1 s TYR 678 CO 0.00 -0.78 1.58 0.36 -1.11 0.00 0.00 175.55 175.60 3fg1 n LYS 679 N 4.63 2.51 -0.74 -0.62 0.00 -1.26 -5.08 118.16 117.59 3fg1 n LYS 679 Ca -0.20 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 55.91 3fg1 n LYS 679 Cb 0.49 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 3fg1 n LYS 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fg1 n ALA 689 N -0.33 -1.50 -2.72 0.58 0.00 -1.26 -5.15 120.51 110.14 3fg1 n ALA 689 Ca 0.36 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 3fg1 n ALA 689 Cb 1.22 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 3fg1 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fg1 s ASP 690 N -3.24 6.32 -0.17 0.00 3.68 -1.26 -4.95 116.67 117.06 3fg1 s ASP 690 Ca 0.00 -1.13 -0.01 0.00 2.13 0.00 0.00 52.55 53.55 3fg1 s ASP 690 Cb 0.00 -2.49 0.04 0.00 -1.45 0.00 0.00 42.92 39.03 3fg1 s ASP 690 CO 0.00 -1.50 -0.04 -0.63 0.13 0.00 0.00 175.17 173.13 3fg1 s ILE 691 N 4.49 1.03 0.26 4.11 1.09 -1.26 -3.93 121.20 126.99 3fg1 s ILE 691 Ca 0.33 -0.63 0.08 0.00 -1.10 0.00 0.00 60.65 59.33 3fg1 s ILE 691 Cb -0.09 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 3fg1 s ILE 691 CO 0.04 0.08 0.13 -0.13 -0.10 0.00 0.00 174.94 174.95 3fg1 s ARG 692 N 1.66 2.69 0.05 2.79 0.52 -0.54 -4.58 118.95 121.54 3fg1 s ARG 692 Ca 0.00 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 3fg1 s ARG 692 Cb -0.16 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 3fg1 s ARG 692 CO -0.07 0.38 -0.07 0.71 0.02 0.00 0.00 175.30 176.27 3fg1 s TYR 693 N -2.21 0.65 0.27 -0.53 1.51 -0.20 -4.48 117.35 112.38 3fg1 s TYR 693 Ca 0.32 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 3fg1 s TYR 693 Cb -0.07 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 3fg1 s TYR 693 CO 0.23 -0.13 0.16 0.00 -1.11 0.00 0.00 175.55 174.70 3fg1 s ALA 695 N -2.92 -0.13 -0.63 0.00 0.00 -1.26 -4.97 121.76 111.85 3fg1 s ALA 695 Ca 0.23 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3fg1 s ALA 695 Cb 0.01 0.65 0.29 0.00 0.00 0.00 0.00 23.12 24.06 3fg1 s ALA 695 CO 0.16 -0.57 0.85 0.00 0.00 0.00 0.00 175.76 176.21 3fg1 n ALA 696 N -0.13 4.35 -1.58 0.00 0.00 -1.22 -4.61 120.51 117.33 3fg1 n ALA 696 Ca -0.12 -4.75 -0.30 0.00 0.00 0.00 0.00 53.44 48.27 3fg1 n ALA 696 Cb 0.63 -0.88 0.09 0.00 0.00 0.00 0.00 19.45 19.29 3fg1 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 697 N -2.89 2.07 0.09 0.00 0.04 -0.93 -3.48 135.00 129.91 3fg1 s PRO 697 Ca 0.43 0.60 0.09 0.00 0.04 0.00 0.00 61.00 62.15 3fg1 s PRO 697 Cb 0.20 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3fg1 s PRO 697 CO -0.06 -1.62 -0.19 -0.51 0.04 0.00 0.00 177.00 174.66 3fg1 s LEU 698 N -5.76 2.61 -0.08 -3.56 1.02 -0.32 -0.53 118.68 112.04 3fg1 s LEU 698 Ca 0.61 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 54.14 3fg1 s LEU 698 Cb -0.14 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.60 3fg1 s LEU 698 CO 0.54 0.21 0.24 0.00 0.02 0.00 0.00 176.35 177.36 3fg1 s ALA 699 N -1.04 -0.59 -0.05 4.21 0.00 -0.30 -1.38 121.76 122.62 3fg1 s ALA 699 Ca 0.16 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3fg1 s ALA 699 Cb -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3fg1 s ALA 699 CO 0.08 -0.12 -0.11 -1.17 0.00 0.00 0.00 175.76 174.43 3fg1 s LEU 700 N -0.01 2.90 0.10 0.00 2.96 0.12 -1.22 118.68 123.53 3fg1 s LEU 700 Ca -0.01 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3fg1 s LEU 700 Cb -0.02 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3fg1 s LEU 700 CO 0.01 0.34 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.86 3fg1 s PHE 701 N -0.78 1.42 -0.05 5.38 0.40 0.10 -0.69 117.98 123.76 3fg1 s PHE 701 Ca 0.12 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 3fg1 s PHE 701 Cb -0.11 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.68 3fg1 s PHE 701 CO 0.01 0.13 -0.05 -0.47 0.70 0.00 0.00 175.22 175.54 3fg1 s TYR 702 N -1.59 0.86 -0.42 0.36 5.04 0.83 -0.80 117.35 121.63 3fg1 s TYR 702 Ca 0.04 -0.26 -0.28 0.00 -2.44 0.00 0.00 57.07 54.13 3fg1 s TYR 702 Cb -0.08 -0.74 0.02 0.00 0.35 0.00 0.00 41.96 41.51 3fg1 s TYR 702 CO 0.03 -0.22 1.05 0.08 -1.34 0.00 0.00 175.55 175.15 3fg1 s VAL 703 N 0.95 4.39 0.97 3.14 1.01 -0.16 -0.10 120.40 130.60 3fg1 s VAL 703 Ca -0.10 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 3fg1 s VAL 703 Cb -0.14 -4.48 0.21 0.00 0.00 0.00 0.00 36.38 31.96 3fg1 s VAL 703 CO 0.00 -0.77 1.33 0.54 0.00 0.00 0.00 175.10 176.20 3fg1 s ASN 704 N 2.13 3.03 0.53 3.32 2.20 0.41 -4.85 114.94 121.71 3fg1 s ASN 704 Ca 0.44 0.20 0.32 0.00 -0.94 0.00 0.00 52.86 52.87 3fg1 s ASN 704 Cb -0.10 -0.21 1.25 0.00 -2.00 0.00 0.00 41.25 40.19 3fg1 s ASN 704 CO 0.25 -2.78 1.94 0.07 -2.94 0.00 0.00 177.10 173.64 3fg1 h LYS 705 N -1.66 0.00 0.00 3.55 2.10 -1.90 0.25 116.57 118.92 3fg1 h LYS 705 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3fg1 h LYS 705 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3fg1 h LYS 705 CO 0.36 0.04 -0.01 1.28 -2.00 0.00 0.00 179.45 179.12 3fg1 n LEU 706 N -3.15 0.68 0.00 7.07 4.77 -1.26 -4.94 117.00 120.17 3fg1 n LEU 706 Ca 0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3fg1 n LEU 706 Cb 0.33 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3fg1 n LEU 706 CO 0.29 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3fg1 n GLY 707 N 1.34 0.86 3.74 -0.72 0.00 0.08 -5.07 105.19 105.41 3fg1 n GLY 707 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3fg1 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 708 N -2.06 3.76 -0.48 1.61 3.76 -1.26 -4.63 115.29 115.99 3fg1 s HIS 708 Ca 0.00 1.75 -0.23 0.00 -0.15 0.00 0.00 55.06 56.42 3fg1 s HIS 708 Cb 0.00 -3.13 0.03 0.00 1.11 0.00 0.00 32.58 30.59 3fg1 s HIS 708 CO 0.00 -0.08 0.84 -1.17 -0.85 0.00 0.00 174.74 173.48 3fg1 s LEU 709 N -0.47 4.22 -0.11 0.89 2.96 -1.26 -0.44 118.68 124.47 3fg1 s LEU 709 Ca 0.46 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3fg1 s LEU 709 Cb -0.27 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3fg1 s LEU 709 CO 0.33 -1.02 0.02 -0.04 -1.32 0.00 0.00 176.35 174.31 3fg1 s MET 710 N 3.50 3.22 0.04 1.98 -1.94 0.86 -3.89 119.30 123.06 3fg1 s MET 710 Ca 0.30 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.59 3fg1 s MET 710 Cb -0.12 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 3fg1 s MET 710 CO 0.22 0.60 1.06 -1.25 -0.01 0.00 0.00 175.02 175.64 3fg1 s PRO 711 N -0.60 4.53 0.00 2.03 0.04 -1.26 -0.12 135.00 139.61 3fg1 s PRO 711 Ca 0.10 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3fg1 s PRO 711 Cb -0.12 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3fg1 s PRO 711 CO 0.02 -0.09 0.00 0.44 0.04 0.00 0.00 177.00 177.41 3fg1 n ILE 712 N 3.76 0.00 -3.65 0.56 -5.35 0.14 -4.68 119.36 110.13 3fg1 n ILE 712 Ca 0.07 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 3fg1 n ILE 712 Cb 0.49 0.15 -0.08 0.00 -1.74 0.00 0.00 39.64 38.47 3fg1 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 s ALA 713 N -1.85 -1.60 -0.05 -1.28 0.00 -1.16 -4.29 121.76 111.53 3fg1 s ALA 713 Ca 0.00 1.85 0.01 0.00 0.00 0.00 0.00 51.96 53.82 3fg1 s ALA 713 Cb 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3fg1 s ALA 713 CO 0.00 -0.31 -0.04 0.42 0.00 0.00 0.00 175.76 175.83 3fg1 s ILE 714 N 0.44 0.54 -0.19 0.00 1.01 -0.21 0.11 121.20 122.90 3fg1 s ILE 714 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3fg1 s ILE 714 Cb -0.05 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3fg1 s ILE 714 CO -0.01 0.24 -0.11 -1.58 0.00 0.00 0.00 174.94 173.48 3fg1 s GLN 715 N 1.12 3.23 0.30 2.79 0.74 -0.48 -0.36 119.66 127.00 3fg1 s GLN 715 Ca -0.08 -0.71 0.10 0.00 0.05 0.00 0.00 55.36 54.72 3fg1 s GLN 715 Cb -0.14 -2.79 0.44 0.00 1.10 0.00 0.00 33.01 31.62 3fg1 s GLN 715 CO -0.01 -0.14 1.67 0.82 -0.55 0.00 0.00 175.29 177.07 3fg1 h ILE 716 N 5.76 1.38 -4.67 -2.34 2.04 -1.82 -0.85 117.51 117.01 3fg1 h ILE 716 Ca -0.41 -1.85 -0.48 0.00 1.00 0.00 0.00 64.86 63.12 3fg1 h ILE 716 Cb 1.16 1.98 -0.11 0.00 -0.74 0.00 0.00 36.82 39.11 3fg1 h ILE 716 CO 0.61 0.53 -0.41 0.59 0.00 0.00 0.00 178.15 179.47 3fg1 n ASN 717 N -3.90 0.96 -0.03 1.72 3.02 -1.26 -2.18 115.26 113.58 3fg1 n ASN 717 Ca -0.01 -2.93 -0.15 0.00 -0.03 0.00 0.00 54.58 51.46 3fg1 n ASN 717 Cb 0.55 0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 40.61 3fg1 n ASN 717 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3fg1 h GLN 718 N 0.00 0.20 -5.55 3.52 1.08 -1.41 -3.42 115.11 109.53 3fg1 h GLN 718 Ca -0.27 -0.17 -0.63 0.00 -1.45 0.00 0.00 58.65 56.12 3fg1 h GLN 718 Cb 1.08 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.41 3fg1 h GLN 718 CO 0.43 0.84 0.20 -2.00 -0.95 0.00 0.00 178.83 177.34 3fg1 s GLU 719 N -3.52 3.53 0.60 1.46 2.56 0.72 -4.76 118.70 119.29 3fg1 s GLU 719 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 54.97 54.58 3fg1 s GLU 719 Cb 0.02 -3.87 -0.03 0.00 2.00 0.00 0.00 34.13 32.25 3fg1 s GLU 719 CO 0.74 -0.89 1.12 -1.25 -0.56 0.00 0.00 175.26 174.43 3fg1 s PRO 720 N 2.88 3.07 0.00 4.30 0.04 -1.25 -4.76 135.00 139.28 3fg1 s PRO 720 Ca 0.26 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3fg1 s PRO 720 Cb -0.14 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3fg1 s PRO 720 CO 0.18 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.56 3fg1 n GLY 721 N -0.13 -0.99 0.18 0.56 0.00 -1.17 -4.94 105.19 98.71 3fg1 n GLY 721 Ca 0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.05 3fg1 n GLY 721 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fg1 h PRO 722 N 0.00 0.12 -0.13 1.61 0.11 -1.94 -2.62 132.00 129.15 3fg1 h PRO 722 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fg1 h PRO 722 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fg1 h PRO 722 CO 0.00 0.53 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 3fg1 n GLU 723 N -4.02 1.76 -3.11 1.05 1.02 -1.26 -4.19 120.64 111.89 3fg1 n GLU 723 Ca -0.02 -1.13 -0.21 0.00 -0.02 0.00 0.00 57.16 55.79 3fg1 n GLU 723 Cb 0.47 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 3fg1 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg1 n ASN 724 N 0.35 -0.61 -4.16 1.62 5.15 -1.00 -4.37 115.26 112.24 3fg1 n ASN 724 Ca 0.17 -2.78 -0.28 0.00 -0.60 0.00 0.00 54.58 51.09 3fg1 n ASN 724 Cb 0.36 -0.07 0.18 0.00 -0.53 0.00 0.00 39.78 39.71 3fg1 n ASN 724 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fg1 s PRO 725 N -0.62 0.69 -0.25 1.20 0.04 -1.16 -3.04 135.00 131.86 3fg1 s PRO 725 Ca 0.34 -0.77 -0.20 0.00 0.04 0.00 0.00 61.00 60.42 3fg1 s PRO 725 Cb 0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 3fg1 s PRO 725 CO -0.14 -2.29 0.60 0.42 0.04 0.00 0.00 177.00 175.62 3fg1 s ILE 726 N -3.72 5.01 0.15 0.56 1.01 -1.26 -4.36 121.20 118.58 3fg1 s ILE 726 Ca 0.74 1.07 0.01 0.00 0.00 0.00 0.00 60.65 62.47 3fg1 s ILE 726 Cb -0.03 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3fg1 s ILE 726 CO 0.51 0.05 0.30 0.26 0.00 0.00 0.00 174.94 176.06 3fg1 s TRP 727 N 2.40 3.49 0.08 3.97 0.52 0.51 -4.93 118.94 124.98 3fg1 s TRP 727 Ca 0.25 0.18 -0.08 0.00 0.02 0.00 0.00 56.10 56.48 3fg1 s TRP 727 Cb -0.16 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3fg1 s TRP 727 CO 0.09 0.50 0.16 -0.08 0.02 0.00 0.00 176.95 177.63 3fg1 s THR 728 N -1.74 0.15 -1.44 2.01 -1.32 -1.26 -1.04 115.64 111.00 3fg1 s THR 728 Ca 0.35 -1.23 0.05 0.00 -1.21 0.00 0.00 61.69 59.65 3fg1 s THR 728 Cb -0.11 -1.30 0.09 0.00 -1.51 0.00 0.00 72.50 69.67 3fg1 s THR 728 CO 0.28 -0.68 1.00 -0.81 -2.21 0.00 0.00 174.62 172.21 3fg1 n PRO 729 N 0.07 0.08 -0.31 7.08 -0.04 -1.26 -2.32 135.00 138.30 3fg1 n PRO 729 Ca -0.15 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3fg1 n PRO 729 Cb 0.62 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.79 3fg1 n PRO 729 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fg1 n HIS 730 N -1.28 0.74 -1.46 0.54 8.25 -1.26 -5.01 115.22 115.74 3fg1 n HIS 730 Ca 0.03 -0.60 -0.48 0.00 -0.26 0.00 0.00 57.72 56.40 3fg1 n HIS 730 Cb 0.04 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 3fg1 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg1 n GLU 731 N 0.44 0.38 -0.22 -0.41 -0.58 -0.98 -4.87 120.64 114.40 3fg1 n GLU 731 Ca 0.17 0.13 -0.08 0.00 -0.42 0.00 0.00 57.16 56.96 3fg1 n GLU 731 Cb 0.61 -1.28 0.03 0.00 -0.57 0.00 0.00 31.44 30.22 3fg1 n GLU 731 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3fg1 h GLU 732 N 1.50 1.00 -5.82 3.49 4.81 -1.95 -3.36 114.58 114.26 3fg1 h GLU 732 Ca -0.33 -0.26 -0.62 0.00 -0.13 0.00 0.00 59.36 58.01 3fg1 h GLU 732 Cb 1.41 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.55 3fg1 h GLU 732 CO 0.59 0.94 0.41 1.21 -0.73 0.00 0.00 179.01 181.43 3fg1 s ASN 733 N -6.38 6.41 0.37 1.04 2.47 -1.26 -4.93 114.94 112.65 3fg1 s ASN 733 Ca -0.12 -0.14 0.08 0.00 0.42 0.00 0.00 52.86 53.10 3fg1 s ASN 733 Cb 0.13 -2.40 0.81 0.00 -1.45 0.00 0.00 41.25 38.34 3fg1 s ASN 733 CO 0.83 -0.98 1.92 1.05 -3.72 0.00 0.00 177.10 176.20 3fg1 h GLU 734 N 9.05 0.67 0.00 0.43 4.11 -1.93 -1.59 114.58 125.31 3fg1 h GLU 734 Ca -0.25 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 3fg1 h GLU 734 Cb 1.08 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3fg1 h GLU 734 CO 0.99 0.44 -0.06 0.45 0.07 0.00 0.00 179.01 180.90 3fg1 h HIS 735 N 0.69 0.00 -0.13 2.06 3.86 -1.92 -2.11 115.15 117.60 3fg1 h HIS 735 Ca 0.37 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.38 3fg1 h HIS 735 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3fg1 h HIS 735 CO -0.00 0.06 -0.72 -0.44 0.86 0.00 0.00 177.93 177.69 3fg1 h ASP 736 N 0.00 0.68 0.02 2.45 3.32 -1.55 -1.41 116.42 119.93 3fg1 h ASP 736 Ca -0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 3fg1 h ASP 736 Cb 0.40 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fg1 h ASP 736 CO 0.01 1.19 -0.01 -0.25 -1.72 0.00 0.00 179.24 178.46 3fg1 h TRP 737 N 0.40 -0.02 -0.51 4.55 -0.00 -1.45 -2.25 115.95 116.67 3fg1 h TRP 737 Ca -0.03 -0.00 0.10 0.00 -0.00 0.00 0.00 58.89 58.96 3fg1 h TRP 737 Cb 1.31 0.01 -0.08 0.00 -0.00 0.00 0.00 29.16 30.39 3fg1 h TRP 737 CO 0.06 0.42 0.01 1.98 -0.00 0.00 0.00 178.44 180.91 3fg1 h MET 738 N -0.47 0.12 -0.71 2.65 4.05 -1.54 -1.42 114.93 117.60 3fg1 h MET 738 Ca -0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3fg1 h MET 738 Cb 0.46 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3fg1 h MET 738 CO 0.00 0.08 0.40 1.98 0.23 0.00 0.00 176.91 179.60 3fg1 h MET 739 N 0.13 0.99 -0.78 0.39 1.85 -1.24 -1.01 114.93 115.25 3fg1 h MET 739 Ca 0.26 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3fg1 h MET 739 Cb 0.39 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 3fg1 h MET 739 CO -0.42 0.73 0.51 0.00 -0.40 0.00 0.00 176.91 177.33 3fg1 h ALA 740 N 1.20 1.00 -0.77 0.39 0.00 -1.10 -0.06 119.26 119.92 3fg1 h ALA 740 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3fg1 h ALA 740 Cb 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 3fg1 h ALA 740 CO -0.04 0.42 0.48 0.87 0.00 0.00 0.00 179.25 180.98 3fg1 h LYS 741 N 1.07 0.88 -0.55 0.00 1.57 -0.67 -1.47 116.57 117.41 3fg1 h LYS 741 Ca 0.29 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3fg1 h LYS 741 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 3fg1 h LYS 741 CO -0.06 0.58 0.07 0.74 -0.57 0.00 0.00 179.45 180.21 3fg1 h PHE 742 N 0.91 0.93 -0.82 -1.35 0.05 -0.43 -1.06 116.94 115.16 3fg1 h PHE 742 Ca 0.32 -0.11 -0.04 0.00 3.82 0.00 0.00 57.97 61.96 3fg1 h PHE 742 Cb 0.08 -0.26 -0.04 0.00 2.00 0.00 0.00 35.95 37.73 3fg1 h PHE 742 CO -0.04 0.81 0.37 -1.49 -0.18 0.00 0.00 178.31 177.78 3fg1 h TRP 743 N 0.83 1.20 -0.42 -0.55 4.06 -0.53 -0.62 115.95 119.91 3fg1 h TRP 743 Ca 0.17 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 3fg1 h TRP 743 Cb 0.39 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3fg1 h TRP 743 CO 0.02 0.88 0.20 1.25 -3.56 0.00 0.00 178.44 177.24 3fg1 h LEU 744 N 1.18 0.55 -0.45 -4.49 5.85 -1.10 -3.05 115.31 113.79 3fg1 h LEU 744 Ca 0.28 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3fg1 h LEU 744 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3fg1 h LEU 744 CO -0.03 0.52 0.24 1.23 -0.34 0.00 0.00 178.44 180.06 3fg1 h GLY 745 N 0.54 0.63 1.39 3.75 0.00 -0.68 -0.76 103.07 107.94 3fg1 h GLY 745 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3fg1 h GLY 745 CO -0.02 0.14 0.14 -0.24 0.00 0.00 0.00 176.54 176.56 3fg1 h VAL 746 N 0.49 1.21 -0.24 4.60 3.04 -1.09 0.68 116.25 124.94 3fg1 h VAL 746 Ca 0.19 -0.74 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 3fg1 h VAL 746 Cb 0.06 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 3fg1 h VAL 746 CO -0.11 0.28 -0.01 0.00 -1.01 0.00 0.00 177.57 176.71 3fg1 h ALA 747 N 1.41 0.32 -0.80 3.17 0.00 -1.40 -2.43 119.26 119.53 3fg1 h ALA 747 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3fg1 h ALA 747 Cb 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3fg1 h ALA 747 CO -0.00 0.07 0.36 1.49 0.00 0.00 0.00 179.25 181.16 3fg1 h GLU 748 N 0.19 1.18 -0.32 0.00 4.81 -0.68 -1.44 114.58 118.32 3fg1 h GLU 748 Ca 0.07 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3fg1 h GLU 748 Cb 0.43 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3fg1 h GLU 748 CO 0.01 0.93 0.09 0.77 -0.73 0.00 0.00 179.01 180.09 3fg1 h SER 749 N 1.15 0.47 -0.38 1.04 0.02 -0.82 0.66 113.55 115.69 3fg1 h SER 749 Ca 0.27 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 3fg1 h SER 749 Cb 0.16 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3fg1 h SER 749 CO -0.03 0.56 -0.39 0.78 -1.14 0.00 0.00 176.83 176.61 3fg1 h ASN 750 N 0.36 1.00 0.09 3.07 4.21 -1.28 -1.51 115.58 121.52 3fg1 h ASN 750 Ca 0.10 -0.47 -0.00 0.00 1.21 0.00 0.00 56.30 57.14 3fg1 h ASN 750 Cb 0.26 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3fg1 h ASN 750 CO -0.00 1.27 -0.04 0.15 -1.29 0.00 0.00 177.43 177.51 3fg1 h PHE 751 N 0.76 -0.11 0.15 1.19 3.57 -1.15 -2.50 116.94 118.84 3fg1 h PHE 751 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fg1 h PHE 751 Cb 0.99 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3fg1 h PHE 751 CO 0.06 0.05 -0.15 1.25 -2.23 0.00 0.00 178.31 177.29 3fg1 h HIS 752 N -0.25 -0.40 -0.41 0.41 2.76 0.40 0.25 115.15 117.91 3fg1 h HIS 752 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3fg1 h HIS 752 Cb 0.21 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3fg1 h HIS 752 CO -0.03 -0.23 -0.09 1.96 -1.30 0.00 0.00 177.93 178.24 3fg1 h GLN 753 N -0.33 0.79 0.15 5.26 4.20 -1.34 0.19 115.11 124.03 3fg1 h GLN 753 Ca 0.01 -0.30 -0.33 0.00 0.06 0.00 0.00 58.65 58.09 3fg1 h GLN 753 Cb 0.32 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fg1 h GLN 753 CO -0.04 0.91 -1.68 -0.07 -0.67 0.00 0.00 178.83 177.27 3fg1 h LEU 754 N 0.61 0.50 0.00 1.46 3.38 -1.44 -1.55 115.31 118.27 3fg1 h LEU 754 Ca 0.11 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3fg1 h LEU 754 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fg1 h LEU 754 CO 0.04 1.75 -0.39 -3.20 0.09 0.00 0.00 178.44 176.73 3fg1 n ASN 755 N -3.69 1.18 -0.16 -0.43 5.15 0.04 -1.42 115.26 115.93 3fg1 n ASN 755 Ca -0.26 0.44 -0.08 0.00 -0.60 0.00 0.00 54.58 54.08 3fg1 n ASN 755 Cb 1.01 -0.72 0.01 0.00 -0.53 0.00 0.00 39.78 39.55 3fg1 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg1 h THR 756 N -0.64 1.16 0.00 -0.44 2.02 -1.14 0.35 112.91 114.22 3fg1 h THR 756 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3fg1 h THR 756 Cb 0.39 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3fg1 h THR 756 CO 0.00 0.16 0.00 1.57 0.37 0.00 0.00 175.52 177.62 3fg1 n HIS 757 N -4.70 0.00 0.01 3.16 -0.00 0.65 -3.92 115.22 110.43 3fg1 n HIS 757 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 3fg1 n HIS 757 Cb 0.06 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.99 29.88 3fg1 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg1 h LEU 758 N 0.00 0.07 0.15 0.27 5.85 -1.39 -1.05 115.31 119.21 3fg1 h LEU 758 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3fg1 h LEU 758 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3fg1 h LEU 758 CO 0.00 0.11 -0.07 0.25 -0.34 0.00 0.00 178.44 178.38 3fg1 h LEU 759 N 0.02 -0.18 -0.24 2.25 5.85 -1.22 0.33 115.31 122.13 3fg1 h LEU 759 Ca 0.02 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3fg1 h LEU 759 Cb 0.05 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3fg1 h LEU 759 CO -0.00 0.35 -0.10 0.54 -0.34 0.00 0.00 178.44 178.88 3fg1 n ARG 760 N -4.94 0.71 0.00 1.25 1.74 0.11 -1.64 116.66 113.89 3fg1 n ARG 760 Ca -0.08 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 3fg1 n ARG 760 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3fg1 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg1 n THR 761 N -0.94 0.00 0.00 0.55 -2.24 -0.40 -4.77 114.28 106.48 3fg1 n THR 761 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3fg1 n THR 761 Cb 0.27 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3fg1 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg1 n HIS 762 N -0.43 0.00 -0.02 4.78 8.25 -1.20 -1.53 115.22 125.07 3fg1 n HIS 762 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3fg1 n HIS 762 Cb 0.00 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 30.78 3fg1 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg1 h LEU 763 N 0.00 0.70 0.04 2.41 3.38 -0.89 -0.36 115.31 120.59 3fg1 h LEU 763 Ca 0.00 -0.34 -0.23 0.00 0.09 0.00 0.00 57.88 57.40 3fg1 h LEU 763 Cb 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.57 3fg1 h LEU 763 CO 0.00 1.06 -0.92 0.71 0.09 0.00 0.00 178.44 179.38 3fg1 h THR 764 N 0.51 1.35 0.00 0.22 1.35 -1.35 -3.21 112.91 111.78 3fg1 h THR 764 Ca 0.03 -2.27 -0.05 0.00 -0.55 0.00 0.00 66.41 63.57 3fg1 h THR 764 Cb 1.02 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 3fg1 h THR 764 CO 0.10 0.68 -0.23 0.71 -0.25 0.00 0.00 175.52 176.52 3fg1 h THR 765 N 0.12 0.67 -0.99 6.82 1.35 -1.17 -2.82 112.91 116.89 3fg1 h THR 765 Ca -0.13 -1.03 0.13 0.00 -0.55 0.00 0.00 66.41 64.83 3fg1 h THR 765 Cb 1.62 1.67 -0.08 0.00 -1.73 0.00 0.00 68.15 69.62 3fg1 h THR 765 CO 0.18 0.23 0.62 -0.08 -0.25 0.00 0.00 175.52 176.22 3fg1 h GLU 766 N 0.00 0.91 -0.86 4.72 4.81 -1.06 -0.26 114.58 122.84 3fg1 h GLU 766 Ca -0.00 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3fg1 h GLU 766 Cb 0.65 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 3fg1 h GLU 766 CO 0.03 0.60 0.50 0.77 -0.73 0.00 0.00 179.01 180.19 3fg1 h SER 767 N 0.94 0.73 -0.28 1.04 0.02 -1.53 -0.27 113.55 114.20 3fg1 h SER 767 Ca 0.49 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.34 3fg1 h SER 767 Cb 0.54 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3fg1 h SER 767 CO -0.26 0.41 -0.40 -0.26 -1.14 0.00 0.00 176.83 175.17 3fg1 h PHE 768 N 0.83 1.00 -0.50 3.45 -1.00 -1.22 -1.66 116.94 117.84 3fg1 h PHE 768 Ca 0.42 -0.30 0.03 0.00 2.81 0.00 0.00 57.97 60.93 3fg1 h PHE 768 Cb 0.39 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 3fg1 h PHE 768 CO -0.05 1.09 0.28 0.00 -1.61 0.00 0.00 178.31 178.02 3fg1 h ALA 769 N 0.86 0.64 -0.47 2.45 0.00 -0.47 -1.42 119.26 120.85 3fg1 h ALA 769 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3fg1 h ALA 769 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3fg1 h ALA 769 CO 0.09 -0.04 0.09 1.25 0.00 0.00 0.00 179.25 180.65 3fg1 h LEU 770 N 0.56 0.74 -1.37 0.00 5.85 -0.94 -2.62 115.31 117.51 3fg1 h LEU 770 Ca 0.21 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3fg1 h LEU 770 Cb 0.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3fg1 h LEU 770 CO -0.11 0.80 0.07 -1.28 -0.34 0.00 0.00 178.44 177.57 3fg1 h SER 771 N 0.64 0.45 -0.08 1.25 0.87 -1.05 -0.16 113.55 115.48 3fg1 h SER 771 Ca 0.15 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3fg1 h SER 771 Cb 0.36 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3fg1 h SER 771 CO 0.01 0.46 -0.04 0.74 -0.53 0.00 0.00 176.83 177.47 3fg1 h THR 772 N 0.48 0.88 -0.33 2.23 2.02 -0.90 0.20 112.91 117.49 3fg1 h THR 772 Ca 0.11 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 3fg1 h THR 772 Cb 0.21 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3fg1 h THR 772 CO -0.00 0.00 -0.17 -0.50 0.37 0.00 0.00 175.52 175.22 3fg1 h TRP 773 N -0.03 0.66 -0.20 3.16 4.06 -1.18 -2.03 115.95 120.40 3fg1 h TRP 773 Ca 0.04 -0.13 -0.14 0.00 2.06 0.00 0.00 58.89 60.72 3fg1 h TRP 773 Cb 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3fg1 h TRP 773 CO -0.15 0.74 -0.48 0.00 -3.56 0.00 0.00 178.44 174.99 3fg1 h ARG 774 N 0.54 0.53 0.00 0.49 3.08 -0.55 -3.41 114.38 115.06 3fg1 h ARG 774 Ca 0.09 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3fg1 h ARG 774 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3fg1 h ARG 774 CO 0.04 0.89 -1.00 0.09 -1.07 0.00 0.00 179.97 178.92 3fg1 n ASN 775 N -3.99 4.71 -4.42 7.04 3.02 0.65 -4.44 115.26 117.83 3fg1 n ASN 775 Ca -0.02 -0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.15 3fg1 n ASN 775 Cb 0.56 1.03 -0.13 0.00 -0.61 0.00 0.00 39.78 40.63 3fg1 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 776 N -3.02 3.32 0.73 3.41 1.43 -0.77 -4.65 118.68 119.13 3fg1 s LEU 776 Ca -0.00 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 3fg1 s LEU 776 Cb 0.00 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3fg1 s LEU 776 CO 0.03 -0.02 1.16 0.00 0.23 0.00 0.00 176.35 177.75 3fg1 s ALA 777 N 1.51 2.17 0.55 4.21 0.00 -1.26 -4.79 121.76 124.15 3fg1 s ALA 777 Ca 0.06 0.69 0.27 0.00 0.00 0.00 0.00 51.96 52.98 3fg1 s ALA 777 Cb -0.15 -3.40 1.65 0.00 0.00 0.00 0.00 23.12 21.22 3fg1 s ALA 777 CO 0.02 -1.77 2.20 0.66 0.00 0.00 0.00 175.76 176.87 3fg1 h SER 778 N -0.43 0.00 0.44 0.00 4.64 -1.96 -0.21 113.55 116.03 3fg1 h SER 778 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fg1 h SER 778 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3fg1 h SER 778 CO 0.50 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 3fg1 n ALA 779 N -2.35 2.38 -2.08 5.18 0.00 -1.26 -4.65 120.51 117.74 3fg1 n ALA 779 Ca -0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3fg1 n ALA 779 Cb 0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 3fg1 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s HIS 780 N -2.50 3.85 0.45 0.00 5.04 -0.09 -0.98 115.29 121.06 3fg1 s HIS 780 Ca 0.28 1.82 0.19 0.00 -1.54 0.00 0.00 55.06 55.81 3fg1 s HIS 780 Cb 0.18 -3.05 1.21 0.00 0.04 0.00 0.00 32.58 30.96 3fg1 s HIS 780 CO 0.40 0.20 2.04 -1.00 -2.34 0.00 0.00 174.74 174.05 3fg1 h PRO 781 N 5.05 0.00 0.00 2.88 0.13 -1.88 -1.79 132.00 136.39 3fg1 h PRO 781 Ca -0.44 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 3fg1 h PRO 781 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3fg1 h PRO 781 CO 0.71 0.14 -0.82 0.82 -0.23 0.00 0.00 178.00 178.62 3fg1 h ILE 782 N 0.00 1.18 -0.00 -3.56 1.08 -1.93 -0.30 117.51 113.98 3fg1 h ILE 782 Ca -0.00 -2.70 0.00 0.00 -0.39 0.00 0.00 64.86 61.76 3fg1 h ILE 782 Cb 0.29 2.57 -0.00 0.00 -3.07 0.00 0.00 36.82 36.60 3fg1 h ILE 782 CO 0.02 0.67 0.00 0.15 -0.69 0.00 0.00 178.15 178.30 3fg1 h PHE 783 N 0.00 0.00 -0.83 1.37 3.57 -1.64 -1.46 116.94 117.95 3fg1 h PHE 783 Ca -0.03 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 3fg1 h PHE 783 Cb 1.58 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.25 3fg1 h PHE 783 CO 0.00 0.02 0.49 0.87 -2.23 0.00 0.00 178.31 177.46 3fg1 h LYS 784 N -0.02 0.84 -0.54 1.11 1.57 -1.12 -0.32 116.57 118.09 3fg1 h LYS 784 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3fg1 h LYS 784 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3fg1 h LYS 784 CO -0.00 0.55 0.27 1.25 -0.57 0.00 0.00 179.45 180.95 3fg1 h LEU 785 N 0.86 0.70 0.00 2.94 5.85 -0.96 -3.26 115.31 121.44 3fg1 h LEU 785 Ca 0.38 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 3fg1 h LEU 785 Cb 0.26 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3fg1 h LEU 785 CO -0.21 0.63 -0.99 -0.07 -0.34 0.00 0.00 178.44 177.46 3fg1 h LEU 786 N 0.73 0.00 -0.68 2.25 3.38 -0.91 -3.38 115.31 116.69 3fg1 h LEU 786 Ca 0.19 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.29 3fg1 h LEU 786 Cb 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.72 3fg1 h LEU 786 CO -0.02 0.81 -0.17 -0.61 0.09 0.00 0.00 178.44 178.53 3fg1 h GLN 787 N 0.00 -0.00 0.00 1.13 4.15 -1.11 0.15 115.11 119.44 3fg1 h GLN 787 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3fg1 h GLN 787 Cb 1.67 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.36 3fg1 h GLN 787 CO 0.10 -0.00 -0.06 -1.00 -1.93 0.00 0.00 178.83 175.93 3fg1 h PRO 788 N -0.00 0.00 0.00 -2.39 0.13 -1.78 -3.02 132.00 124.94 3fg1 h PRO 788 Ca 0.33 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.24 3fg1 h PRO 788 Cb 0.50 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 3fg1 h PRO 788 CO -0.70 0.06 -1.88 0.72 -0.23 0.00 0.00 178.00 175.97 3fg1 n HIS 789 N -3.23 0.46 1.07 1.56 8.25 0.31 -4.08 115.22 119.55 3fg1 n HIS 789 Ca -0.00 0.15 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 3fg1 n HIS 789 Cb 0.29 -0.95 0.46 0.00 1.12 0.00 0.00 29.99 30.91 3fg1 n HIS 789 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fg1 n ILE 790 N -2.73 0.00 -1.71 1.59 -5.35 0.11 -4.25 119.36 107.02 3fg1 n ILE 790 Ca -0.17 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 3fg1 n ILE 790 Cb 0.91 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 3fg1 n ILE 790 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 n TYR 791 N -1.40 2.50 0.00 4.28 9.36 -1.15 -3.38 117.16 127.38 3fg1 n TYR 791 Ca 0.08 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.61 3fg1 n TYR 791 Cb 0.33 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.50 3fg1 n TYR 791 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 792 N 2.38 2.93 0.27 2.98 0.00 -1.26 -4.02 105.19 108.47 3fg1 n GLY 792 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3fg1 n GLY 792 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fg1 h VAL 793 N 0.00 1.27 -0.63 1.61 3.04 -1.39 0.51 116.25 120.65 3fg1 h VAL 793 Ca 0.00 -1.52 -0.04 0.00 -1.01 0.00 0.00 66.70 64.13 3fg1 h VAL 793 Cb 0.00 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.57 3fg1 h VAL 793 CO 0.00 0.51 0.24 -0.07 -1.01 0.00 0.00 177.57 177.24 3fg1 h LEU 794 N 0.79 0.88 0.44 3.16 3.38 -1.85 -0.56 115.31 121.54 3fg1 h LEU 794 Ca 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3fg1 h LEU 794 Cb 0.94 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3fg1 h LEU 794 CO 0.09 0.82 -0.21 0.00 0.09 0.00 0.00 178.44 179.22 3fg1 h ALA 795 N 1.09 -0.59 -0.29 1.53 0.00 -1.57 -0.92 119.26 118.52 3fg1 h ALA 795 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3fg1 h ALA 795 Cb 0.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fg1 h ALA 795 CO -0.02 -0.70 -0.27 0.97 0.00 0.00 0.00 179.25 179.23 3fg1 h ILE 796 N -0.85 1.27 -0.37 0.00 6.09 -0.91 -0.66 117.51 122.08 3fg1 h ILE 796 Ca -0.06 -1.35 -0.11 0.00 -1.37 0.00 0.00 64.86 61.97 3fg1 h ILE 796 Cb 0.56 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.18 3fg1 h ILE 796 CO 0.10 0.43 -0.22 0.44 -3.07 0.00 0.00 178.15 175.83 3fg1 h ASP 797 N 0.51 0.74 -0.31 2.19 5.19 -1.14 0.12 116.42 123.72 3fg1 h ASP 797 Ca 0.07 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 3fg1 h ASP 797 Cb 0.73 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 3fg1 h ASP 797 CO 0.06 0.95 0.10 0.74 -3.12 0.00 0.00 179.24 177.96 3fg1 h THR 798 N 0.64 1.20 -0.41 0.35 2.02 -0.82 -0.73 112.91 115.17 3fg1 h THR 798 Ca 0.09 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3fg1 h THR 798 Cb 0.72 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3fg1 h THR 798 CO 0.06 0.22 0.22 0.40 0.37 0.00 0.00 175.52 176.79 3fg1 h ILE 799 N 0.35 1.01 0.00 3.11 2.04 -0.99 -3.16 117.51 119.87 3fg1 h ILE 799 Ca 0.10 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3fg1 h ILE 799 Cb 0.24 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3fg1 h ILE 799 CO -0.00 0.08 0.00 1.23 0.00 0.00 0.00 178.15 179.46 3fg1 h GLY 800 N 0.45 0.00 2.00 5.37 0.00 -0.55 -0.53 103.07 109.80 3fg1 h GLY 800 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3fg1 h GLY 800 CO -0.10 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.65 3fg1 h ARG 801 N 0.00 0.00 0.00 4.80 3.08 -1.09 -1.47 114.38 119.69 3fg1 h ARG 801 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fg1 h ARG 801 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3fg1 h ARG 801 CO 0.00 0.00 -0.32 1.63 -1.07 0.00 0.00 179.97 180.21 3fg1 n LYS 802 N -2.89 0.21 0.18 0.04 5.02 -0.91 -3.86 118.16 115.95 3fg1 n LYS 802 Ca 0.00 0.22 0.13 0.00 -2.02 0.00 0.00 58.31 56.65 3fg1 n LYS 802 Cb 0.24 -1.01 0.39 0.00 -0.02 0.00 0.00 35.03 34.64 3fg1 n LYS 802 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3fg1 h GLU 803 N -0.42 0.00 0.00 1.97 5.08 -1.14 -2.85 114.58 117.22 3fg1 h GLU 803 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3fg1 h GLU 803 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3fg1 h GLU 803 CO 0.00 0.00 -1.37 1.28 -1.00 0.00 0.00 179.01 177.92 3fg1 n LEU 804 N -2.70 0.96 -0.59 1.33 4.77 -0.62 -3.19 117.00 116.95 3fg1 n LEU 804 Ca 0.04 0.16 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 3fg1 n LEU 804 Cb 0.41 -0.38 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3fg1 n LEU 804 CO 0.29 0.06 0.53 2.30 -1.33 0.00 0.00 177.39 179.24 3fg1 n ILE 805 N -3.61 0.40 -1.96 -0.08 -5.35 -0.79 -1.50 119.36 106.48 3fg1 n ILE 805 Ca -0.19 -0.70 -0.34 0.00 -0.27 0.00 0.00 62.75 61.25 3fg1 n ILE 805 Cb 0.56 0.95 0.03 0.00 -1.74 0.00 0.00 39.64 39.45 3fg1 n ILE 805 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fg1 s GLY 806 N -1.03 2.35 -0.22 3.28 0.00 -1.08 -4.91 107.32 105.72 3fg1 s GLY 806 Ca 0.19 0.66 -0.39 0.00 0.00 0.00 0.00 44.72 45.18 3fg1 s GLY 806 CO 0.17 1.01 1.73 -1.26 0.00 0.00 0.00 173.10 174.75 3fg1 n SER 807 N -1.96 2.50 0.00 1.64 2.88 -1.26 -0.49 113.62 116.93 3fg1 n SER 807 Ca 0.11 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3fg1 n SER 807 Cb 0.52 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3fg1 n SER 807 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fg1 n GLY 808 N 4.09 0.71 0.46 0.46 0.00 -1.26 -5.06 105.19 104.60 3fg1 n GLY 808 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 3fg1 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 809 N -2.48 -0.73 0.36 -0.02 0.00 0.35 -4.81 105.19 97.86 3fg1 n GLY 809 Ca 0.00 -1.74 0.17 0.00 0.00 0.00 0.00 46.02 44.45 3fg1 n GLY 809 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fg1 h ILE 810 N -0.94 0.58 0.00 -0.61 1.08 -1.47 -1.36 117.51 114.80 3fg1 h ILE 810 Ca -0.05 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3fg1 h ILE 810 Cb 0.14 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 3fg1 h ILE 810 CO 0.04 0.11 -0.00 0.58 -0.69 0.00 0.00 178.15 178.19 3fg1 h VAL 811 N 0.60 1.29 0.00 1.67 2.07 -1.59 -2.92 116.25 117.36 3fg1 h VAL 811 Ca 0.62 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3fg1 h VAL 811 Cb 1.18 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3fg1 h VAL 811 CO -0.42 0.22 0.00 0.47 0.02 0.00 0.00 177.57 177.86 3fg1 n ASP 812 N -4.92 0.00 -0.08 0.57 9.92 -0.54 -2.00 116.55 119.51 3fg1 n ASP 812 Ca -0.08 0.40 -0.08 0.00 -0.53 0.00 0.00 54.79 54.51 3fg1 n ASP 812 Cb 0.19 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 3fg1 n ASP 812 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fg1 n GLN 813 N -1.44 1.51 0.00 -1.24 6.02 -1.05 -4.61 117.38 116.57 3fg1 n GLN 813 Ca 0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 3fg1 n GLN 813 Cb 0.08 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 3fg1 n GLN 813 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3fg1 n SER 814 N -2.57 0.36 -4.51 1.08 3.41 -0.94 -4.86 113.62 105.59 3fg1 n SER 814 Ca -0.25 -0.68 -0.30 0.00 -0.26 0.00 0.00 58.87 57.38 3fg1 n SER 814 Cb 0.99 0.76 -0.11 0.00 -0.26 0.00 0.00 64.21 65.59 3fg1 n SER 814 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fg1 s LEU 815 N -1.64 2.81 0.27 1.04 1.02 -0.85 -4.30 118.68 117.02 3fg1 s LEU 815 Ca 0.01 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 3fg1 s LEU 815 Cb 0.02 -1.64 0.49 0.00 0.02 0.00 0.00 46.19 45.07 3fg1 s LEU 815 CO 0.07 0.20 1.83 0.28 0.02 0.00 0.00 176.35 178.75 3fg1 h SER 816 N 3.88 0.85 -0.01 2.29 0.02 -1.32 -2.59 113.55 116.68 3fg1 h SER 816 Ca -0.49 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3fg1 h SER 816 Cb 1.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3fg1 h SER 816 CO 0.48 0.47 0.00 0.18 -1.14 0.00 0.00 176.83 176.82 3fg1 n LEU 817 N -4.65 0.49 -4.59 5.07 4.32 -1.26 -0.48 117.00 115.90 3fg1 n LEU 817 Ca 0.17 -0.17 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 3fg1 n LEU 817 Cb 0.31 -0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.23 3fg1 n LEU 817 CO 0.28 0.08 0.44 0.61 -1.22 0.00 0.00 177.39 177.58 3fg1 n GLY 818 N 1.04 -0.77 0.00 -0.72 0.00 -0.98 -0.77 105.19 102.99 3fg1 n GLY 818 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3fg1 n GLY 818 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 819 N 0.91 0.79 0.00 -0.02 0.00 -1.26 -2.68 105.19 102.92 3fg1 n GLY 819 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fg1 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 820 N -1.80 0.85 0.30 -0.02 0.00 -1.26 -4.95 105.19 98.31 3fg1 n GLY 820 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.12 3fg1 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg1 h GLY 821 N 0.00 0.00 1.45 -0.02 0.00 -1.67 -2.51 103.07 100.33 3fg1 h GLY 821 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3fg1 h GLY 821 CO 0.00 0.00 -0.27 1.12 0.00 0.00 0.00 176.54 177.39 3fg1 h HIS 822 N 0.00 0.71 -0.17 5.60 2.07 -1.19 -1.25 115.15 120.93 3fg1 h HIS 822 Ca -0.00 -0.17 -0.04 0.00 -2.85 0.00 0.00 60.37 57.32 3fg1 h HIS 822 Cb 0.09 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 29.89 3fg1 h HIS 822 CO 0.00 0.83 -0.04 0.28 -3.07 0.00 0.00 177.93 175.93 3fg1 h VAL 823 N 0.54 1.28 -0.70 6.12 2.07 -1.75 -2.01 116.25 121.81 3fg1 h VAL 823 Ca 0.07 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3fg1 h VAL 823 Cb 0.74 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3fg1 h VAL 823 CO 0.06 0.29 0.40 0.74 0.02 0.00 0.00 177.57 179.08 3fg1 h THR 824 N 0.03 1.20 -0.31 2.57 2.02 -1.53 -0.44 112.91 116.46 3fg1 h THR 824 Ca 0.04 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 3fg1 h THR 824 Cb 0.47 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3fg1 h THR 824 CO 0.02 0.22 -0.08 0.15 0.37 0.00 0.00 175.52 176.20 3fg1 h PHE 825 N 0.97 0.68 -0.63 3.16 3.57 -1.17 -0.21 116.94 123.31 3fg1 h PHE 825 Ca 0.25 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3fg1 h PHE 825 Cb -0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3fg1 h PHE 825 CO 0.01 0.79 0.35 0.52 -2.23 0.00 0.00 178.31 177.74 3fg1 h MET 826 N 0.38 0.87 -0.29 1.11 2.86 -1.04 0.48 114.93 119.29 3fg1 h MET 826 Ca 0.08 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3fg1 h MET 826 Cb 0.57 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 3fg1 h MET 826 CO 0.03 0.66 -0.09 0.93 1.06 0.00 0.00 176.91 179.50 3fg1 h GLU 827 N 0.85 -0.02 -0.56 1.72 5.08 -0.99 0.82 114.58 121.48 3fg1 h GLU 827 Ca 0.22 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3fg1 h GLU 827 Cb 0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3fg1 h GLU 827 CO -0.04 -0.01 0.33 -0.22 -1.00 0.00 0.00 179.01 178.07 3fg1 h LYS 828 N -0.02 0.62 -0.66 2.33 3.64 -0.59 -2.46 116.57 119.43 3fg1 h LYS 828 Ca 0.14 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3fg1 h LYS 828 Cb 0.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3fg1 h LYS 828 CO -0.32 0.41 0.09 0.00 -2.27 0.00 0.00 179.45 177.37 3fg1 h PHE 830 N 1.03 0.13 -0.40 0.00 3.57 -0.51 -2.03 116.94 118.73 3fg1 h PHE 830 Ca 0.20 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3fg1 h PHE 830 Cb 0.47 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3fg1 h PHE 830 CO 0.03 0.38 0.32 0.87 -2.23 0.00 0.00 178.31 177.69 3fg1 h LYS 831 N 0.11 0.00 -0.01 1.11 1.57 -1.29 -1.91 116.57 116.14 3fg1 h LYS 831 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fg1 h LYS 831 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fg1 h LYS 831 CO 0.04 0.00 -0.53 0.39 -0.57 0.00 0.00 179.45 178.78 3fg1 n GLU 832 N -4.18 0.87 -2.05 3.15 -0.58 -0.77 -1.17 120.64 115.90 3fg1 n GLU 832 Ca 0.07 -0.68 -0.42 0.00 -0.42 0.00 0.00 57.16 55.71 3fg1 n GLU 832 Cb 0.51 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 3fg1 n GLU 832 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg1 s VAL 833 N -2.60 2.82 0.00 2.62 1.01 -0.72 -4.99 120.40 118.55 3fg1 s VAL 833 Ca 0.17 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3fg1 s VAL 833 Cb 0.18 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3fg1 s VAL 833 CO 0.62 0.08 -0.09 0.21 0.00 0.00 0.00 175.10 175.93 3fg1 s ASN 834 N 0.63 1.02 0.50 3.32 2.47 -1.26 -4.29 114.94 117.33 3fg1 s ASN 834 Ca 0.62 -0.21 0.23 0.00 0.42 0.00 0.00 52.86 53.92 3fg1 s ASN 834 Cb -0.41 -0.10 1.30 0.00 -1.45 0.00 0.00 41.25 40.60 3fg1 s ASN 834 CO 0.38 0.07 1.97 0.25 -3.72 0.00 0.00 177.10 176.05 3fg1 h LEU 835 N 5.73 0.11 -2.69 3.21 5.85 -1.08 0.10 115.31 126.55 3fg1 h LEU 835 Ca -0.31 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3fg1 h LEU 835 Cb 1.18 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3fg1 h LEU 835 CO 0.48 0.06 -0.01 1.56 -0.34 0.00 0.00 178.44 180.20 3fg1 h GLN 836 N 0.12 0.00 0.00 1.25 1.08 -1.84 -1.50 115.11 114.22 3fg1 h GLN 836 Ca 0.29 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 3fg1 h GLN 836 Cb 0.98 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3fg1 h GLN 836 CO -0.03 0.01 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.38 3fg1 h ASP 837 N 0.00 0.00 0.16 1.46 3.32 -1.20 -2.53 116.42 117.63 3fg1 h ASP 837 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg1 h ASP 837 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3fg1 h ASP 837 CO 0.00 0.03 -0.15 -1.22 -1.72 0.00 0.00 179.24 176.19 3fg1 n TYR 838 N -3.47 0.00 -3.03 4.55 4.02 -0.56 -4.73 117.16 113.94 3fg1 n TYR 838 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 3fg1 n TYR 838 Cb 0.14 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.32 3fg1 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg1 s HIS 839 N -2.31 2.95 0.04 -0.72 2.46 -0.95 -4.65 115.29 112.11 3fg1 s HIS 839 Ca 0.30 -0.31 -0.25 0.00 0.47 0.00 0.00 55.06 55.27 3fg1 s HIS 839 Cb 0.20 -3.74 -0.17 0.00 -0.13 0.00 0.00 32.58 28.74 3fg1 s HIS 839 CO 0.45 -1.15 1.52 1.25 -2.47 0.00 0.00 174.74 174.34 3fg1 h LEU 840 N 10.20 -0.11 -0.80 8.88 5.85 -1.87 -0.50 115.31 136.94 3fg1 h LEU 840 Ca -0.27 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.40 3fg1 h LEU 840 Cb 1.09 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 3fg1 h LEU 840 CO 1.01 0.10 0.43 -0.65 -0.34 0.00 0.00 178.44 178.99 3fg1 h PRO 841 N -0.33 0.67 -0.31 5.25 0.11 -1.96 -1.20 132.00 134.22 3fg1 h PRO 841 Ca -0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3fg1 h PRO 841 Cb 0.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3fg1 h PRO 841 CO 0.02 0.44 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.33 3fg1 h ASN 842 N 0.69 0.55 -0.67 -2.05 -0.26 -1.86 -2.36 115.58 109.62 3fg1 h ASN 842 Ca 0.40 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3fg1 h ASN 842 Cb 0.45 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 3fg1 h ASN 842 CO -0.29 0.74 0.37 0.00 -1.06 0.00 0.00 177.43 177.19 3fg1 h ALA 843 N 0.83 0.86 -0.25 -0.83 0.00 -0.85 0.10 119.26 119.13 3fg1 h ALA 843 Ca 0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3fg1 h ALA 843 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fg1 h ALA 843 CO 0.02 0.38 -0.50 -0.07 0.00 0.00 0.00 179.25 179.08 3fg1 h LEU 844 N 0.92 0.74 0.28 0.00 3.38 -1.21 -0.89 115.31 118.54 3fg1 h LEU 844 Ca 0.24 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fg1 h LEU 844 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fg1 h LEU 844 CO -0.04 1.11 -0.14 0.50 0.09 0.00 0.00 178.44 179.96 3fg1 h LYS 845 N 0.53 -0.37 -1.00 1.13 3.64 -1.23 -1.46 116.57 117.81 3fg1 h LYS 845 Ca 0.02 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 3fg1 h LYS 845 Cb 1.05 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 3fg1 h LYS 845 CO 0.10 -0.15 0.61 -0.22 -2.27 0.00 0.00 179.45 177.52 3fg1 h LYS 846 N -0.52 0.78 0.00 1.90 3.64 -0.72 -0.38 116.57 121.27 3fg1 h LYS 846 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3fg1 h LYS 846 Cb 0.39 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3fg1 h LYS 846 CO 0.06 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 3fg1 h ARG 847 N 0.80 0.00 -0.00 1.90 3.08 -0.91 -3.47 114.38 115.78 3fg1 h ARG 847 Ca 0.56 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.61 3fg1 h ARG 847 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3fg1 h ARG 847 CO -0.36 0.00 -0.00 0.41 -1.07 0.00 0.00 179.97 178.95 3fg1 n GLY 848 N 0.70 0.38 0.42 0.04 0.00 -0.15 -0.16 105.19 106.41 3fg1 n GLY 848 Ca 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.06 3fg1 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg1 n VAL 849 N -3.33 1.04 0.06 1.61 0.24 -0.63 -4.38 118.33 112.94 3fg1 n VAL 849 Ca -0.00 -1.03 0.08 0.00 -2.04 0.00 0.00 64.34 61.35 3fg1 n VAL 849 Cb 0.16 0.48 0.26 0.00 -1.47 0.00 0.00 33.84 33.28 3fg1 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg1 n ASP 850 N 0.13 3.36 -4.32 -1.34 5.75 -1.23 -4.81 116.55 114.09 3fg1 n ASP 850 Ca 0.08 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.32 3fg1 n ASP 850 Cb 0.38 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 3fg1 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg1 s ASP 851 N -0.92 5.71 0.55 -1.12 -1.08 -1.26 -4.96 116.67 113.58 3fg1 s ASP 851 Ca 0.39 -1.26 0.35 0.00 -0.52 0.00 0.00 52.55 51.50 3fg1 s ASP 851 Cb 0.22 -2.01 1.52 0.00 -1.46 0.00 0.00 42.92 41.19 3fg1 s ASP 851 CO 0.23 -0.47 2.03 -0.65 0.52 0.00 0.00 175.17 176.83 3fg1 h PRO 852 N 8.44 0.00 -0.00 4.34 0.11 -1.88 -1.11 132.00 141.90 3fg1 h PRO 852 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3fg1 h PRO 852 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fg1 h PRO 852 CO 0.72 0.00 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.30 3fg1 n SER 853 N -3.02 0.18 -0.01 -2.05 3.41 -1.26 -3.37 113.62 107.50 3fg1 n SER 853 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3fg1 n SER 853 Cb 0.26 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3fg1 n SER 853 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fg1 n LYS 854 N -1.28 1.60 -3.52 4.33 5.02 -0.82 -4.91 118.16 118.59 3fg1 n LYS 854 Ca 0.11 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 3fg1 n LYS 854 Cb 0.29 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.10 3fg1 n LYS 854 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fg1 s LEU 855 N -3.66 1.44 0.71 -0.35 2.96 -0.48 -4.69 118.68 114.62 3fg1 s LEU 855 Ca -0.01 -2.37 -0.05 0.00 -0.22 0.00 0.00 54.13 51.48 3fg1 s LEU 855 Cb 0.02 -0.56 0.09 0.00 0.50 0.00 0.00 46.19 46.24 3fg1 s LEU 855 CO 0.13 -0.29 1.00 -2.16 -1.32 0.00 0.00 176.35 173.72 3fg1 s PRO 856 N 0.80 1.94 -1.31 0.98 0.04 -1.22 -4.34 135.00 131.90 3fg1 s PRO 856 Ca 0.19 -0.58 -0.04 0.00 0.04 0.00 0.00 61.00 60.61 3fg1 s PRO 856 Cb -0.21 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3fg1 s PRO 856 CO -0.01 -1.34 0.97 0.41 0.04 0.00 0.00 177.00 177.07 3fg1 n GLY 857 N -2.90 -0.41 2.98 0.56 0.00 -1.26 -4.96 105.19 99.20 3fg1 n GLY 857 Ca 0.11 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3fg1 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg1 s PHE 858 N -3.42 3.28 -0.02 1.61 5.36 -1.26 -4.86 117.98 118.67 3fg1 s PHE 858 Ca 0.24 -3.11 0.12 0.00 -0.96 0.00 0.00 56.93 53.21 3fg1 s PHE 858 Cb -0.11 -2.89 -0.14 0.00 -0.34 0.00 0.00 43.02 39.54 3fg1 s PHE 858 CO 0.76 -0.74 1.08 1.88 -1.46 0.00 0.00 175.22 176.75 3fg1 h TYR 859 N 6.45 0.00 -0.35 10.12 -1.99 -1.94 -2.32 116.97 126.95 3fg1 h TYR 859 Ca -0.04 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.75 3fg1 h TYR 859 Cb 0.88 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.57 3fg1 h TYR 859 CO 0.58 0.82 0.06 -0.92 -0.00 0.00 0.00 178.16 178.70 3fg1 h TYR 860 N 0.00 0.10 0.44 4.88 3.20 -1.94 0.15 116.97 123.81 3fg1 h TYR 860 Ca -0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 3fg1 h TYR 860 Cb 1.71 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.99 3fg1 h TYR 860 CO 0.00 0.01 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.20 3fg1 h ARG 861 N 0.18 -0.61 -0.29 1.82 2.43 -1.83 0.11 114.38 116.19 3fg1 h ARG 861 Ca 0.17 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3fg1 h ARG 861 Cb 0.19 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3fg1 h ARG 861 CO -0.23 -0.41 0.13 -0.44 -1.51 0.00 0.00 179.97 177.52 3fg1 h ASP 862 N -0.63 0.39 -0.14 -3.80 3.45 -1.11 0.83 116.42 115.40 3fg1 h ASP 862 Ca -0.06 -0.14 -0.20 0.00 0.43 0.00 0.00 57.03 57.06 3fg1 h ASP 862 Cb 0.50 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3fg1 h ASP 862 CO 0.08 0.42 -0.70 0.44 -1.57 0.00 0.00 179.24 177.91 3fg1 h ASP 863 N 0.33 0.87 -0.35 6.45 3.32 -0.75 -2.62 116.42 123.67 3fg1 h ASP 863 Ca 0.10 -0.63 0.03 0.00 0.02 0.00 0.00 57.03 56.55 3fg1 h ASP 863 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3fg1 h ASP 863 CO -0.01 1.36 0.16 1.23 -1.72 0.00 0.00 179.24 180.26 3fg1 h GLY 864 N 0.44 0.46 1.06 2.75 0.00 -0.66 -0.80 103.07 106.32 3fg1 h GLY 864 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3fg1 h GLY 864 CO 0.15 0.08 0.33 1.41 0.00 0.00 0.00 176.54 178.50 3fg1 h LEU 865 N 0.34 1.10 -0.48 3.11 3.38 -0.83 0.16 115.31 122.09 3fg1 h LEU 865 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fg1 h LEU 865 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3fg1 h LEU 865 CO -0.11 0.96 0.23 0.00 0.09 0.00 0.00 178.44 179.61 3fg1 h ALA 866 N 1.19 0.62 -0.28 1.53 0.00 -1.06 -1.95 119.26 119.31 3fg1 h ALA 866 Ca 0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3fg1 h ALA 866 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fg1 h ALA 866 CO -0.02 0.18 -0.46 -0.07 0.00 0.00 0.00 179.25 178.88 3fg1 h LEU 867 N 0.63 0.89 -0.41 0.00 3.38 -0.91 -1.93 115.31 116.97 3fg1 h LEU 867 Ca 0.16 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3fg1 h LEU 867 Cb 0.12 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 3fg1 h LEU 867 CO -0.02 1.24 -0.31 -0.25 0.09 0.00 0.00 178.44 179.19 3fg1 h TRP 868 N 0.57 -0.84 -0.86 1.13 2.91 -0.66 -0.40 115.95 117.80 3fg1 h TRP 868 Ca 0.02 0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.11 3fg1 h TRP 868 Cb 1.06 0.43 -0.04 0.00 -0.51 0.00 0.00 29.16 30.10 3fg1 h TRP 868 CO 0.08 -0.37 0.57 1.49 -1.03 0.00 0.00 178.44 179.18 3fg1 h GLU 869 N -0.23 1.12 -0.29 2.65 4.22 -1.17 0.65 114.58 121.53 3fg1 h GLU 869 Ca 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 3fg1 h GLU 869 Cb 0.53 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3fg1 h GLU 869 CO -0.54 0.74 0.13 0.00 -2.18 0.00 0.00 179.01 177.17 3fg1 h ALA 870 N 1.32 0.37 -0.31 2.92 0.00 -0.87 -1.36 119.26 121.34 3fg1 h ALA 870 Ca 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3fg1 h ALA 870 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3fg1 h ALA 870 CO -0.07 -0.05 0.03 0.82 0.00 0.00 0.00 179.25 179.98 3fg1 h ILE 871 N 0.32 1.24 -0.53 0.00 2.04 -0.75 -2.20 117.51 117.63 3fg1 h ILE 871 Ca 0.10 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.14 3fg1 h ILE 871 Cb 0.15 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3fg1 h ILE 871 CO -0.01 0.28 0.26 -0.08 0.00 0.00 0.00 178.15 178.61 3fg1 h GLU 872 N 0.34 0.50 -0.15 2.37 4.81 -0.74 -0.58 114.58 121.13 3fg1 h GLU 872 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3fg1 h GLU 872 Cb 0.38 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3fg1 h GLU 872 CO 0.01 0.33 0.10 1.15 -0.73 0.00 0.00 179.01 179.86 3fg1 h THR 873 N 0.51 1.04 0.26 0.32 2.02 -1.12 0.46 112.91 116.41 3fg1 h THR 873 Ca 0.23 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3fg1 h THR 873 Cb 0.15 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3fg1 h THR 873 CO -0.17 0.04 -0.16 0.15 0.37 0.00 0.00 175.52 175.75 3fg1 h PHE 874 N 0.19 -0.41 -0.69 3.16 3.57 -1.06 -1.76 116.94 119.94 3fg1 h PHE 874 Ca 0.05 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3fg1 h PHE 874 Cb -0.02 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3fg1 h PHE 874 CO -0.07 -0.25 0.43 0.82 -2.23 0.00 0.00 178.31 177.01 3fg1 h ILE 875 N -0.40 1.08 -0.55 1.41 2.04 -0.98 -0.38 117.51 119.72 3fg1 h ILE 875 Ca -0.03 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.64 3fg1 h ILE 875 Cb 0.33 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 3fg1 h ILE 875 CO 0.03 0.15 0.17 1.23 0.00 0.00 0.00 178.15 179.73 3fg1 h GLY 876 N 0.83 0.74 0.98 5.37 0.00 -0.75 0.21 103.07 110.44 3fg1 h GLY 876 Ca 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 3fg1 h GLY 876 CO -0.11 -0.04 0.09 0.83 0.00 0.00 0.00 176.54 177.30 3fg1 h GLU 877 N 0.33 0.80 -0.20 4.80 5.08 -0.59 -1.34 114.58 123.45 3fg1 h GLU 877 Ca 0.28 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3fg1 h GLU 877 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3fg1 h GLU 877 CO -0.31 0.79 0.13 0.82 -1.00 0.00 0.00 179.01 179.45 3fg1 h ILE 878 N 0.67 1.05 -0.30 3.13 1.08 -0.65 -2.65 117.51 119.84 3fg1 h ILE 878 Ca 0.15 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.58 3fg1 h ILE 878 Cb 0.38 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 3fg1 h ILE 878 CO 0.01 0.05 -0.06 0.40 -0.69 0.00 0.00 178.15 177.86 3fg1 h ILE 879 N 0.28 0.72 0.00 -0.67 2.04 -0.84 -2.26 117.51 116.77 3fg1 h ILE 879 Ca 0.07 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3fg1 h ILE 879 Cb -0.03 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3fg1 h ILE 879 CO -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.12 3fg1 h ALA 880 N 1.29 1.55 -0.34 1.87 0.00 -1.07 0.28 119.26 122.85 3fg1 h ALA 880 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 880 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fg1 h ALA 880 CO -0.29 0.03 -0.11 0.82 0.00 0.00 0.00 179.25 179.69 3fg1 h ILE 881 N 0.00 1.28 0.00 0.00 2.04 -1.05 -3.37 117.51 116.41 3fg1 h ILE 881 Ca -0.00 -1.19 -0.35 0.00 1.00 0.00 0.00 64.86 64.32 3fg1 h ILE 881 Cb 0.05 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3fg1 h ILE 881 CO 0.00 0.39 -2.23 0.49 0.00 0.00 0.00 178.15 176.79 3fg1 n PHE 882 N -4.40 0.27 -3.68 1.37 3.01 -0.75 -4.82 117.46 108.47 3fg1 n PHE 882 Ca -0.02 0.09 -0.39 0.00 1.01 0.00 0.00 57.45 58.14 3fg1 n PHE 882 Cb 0.36 -1.05 -0.12 0.00 -0.01 0.00 0.00 39.48 38.66 3fg1 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg1 s TYR 883 N -2.52 3.21 -0.73 1.38 1.51 0.93 -4.89 117.35 116.24 3fg1 s TYR 883 Ca -0.12 -0.96 0.26 0.00 -1.01 0.00 0.00 57.07 55.24 3fg1 s TYR 883 Cb 0.07 -2.34 0.73 0.00 -0.11 0.00 0.00 41.96 40.30 3fg1 s TYR 883 CO 0.80 -0.60 1.69 1.63 -1.11 0.00 0.00 175.55 177.96 3fg1 n LYS 884 N 4.93 0.26 -3.87 -0.62 4.76 -1.26 -4.36 118.16 118.00 3fg1 n LYS 884 Ca -0.13 0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.46 3fg1 n LYS 884 Cb 0.47 -1.77 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3fg1 n LYS 884 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3fg1 s ASN 885 N -4.41 -0.01 0.41 4.39 2.20 -1.26 -5.05 114.94 111.21 3fg1 s ASN 885 Ca 0.10 -0.64 0.10 0.00 -0.94 0.00 0.00 52.86 51.48 3fg1 s ASN 885 Cb 0.13 0.49 0.85 0.00 -2.00 0.00 0.00 41.25 40.72 3fg1 s ASN 885 CO 0.62 -0.97 1.96 0.44 -2.94 0.00 0.00 177.10 176.22 3fg1 h ASP 886 N 2.00 0.23 -0.52 3.54 3.32 -1.92 -2.86 116.42 120.20 3fg1 h ASP 886 Ca -0.27 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 3fg1 h ASP 886 Cb 1.22 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3fg1 h ASP 886 CO 0.35 0.33 0.14 -0.78 -1.72 0.00 0.00 179.24 177.56 3fg1 h ASP 887 N 0.24 0.82 -0.99 6.45 3.58 -1.97 -1.35 116.42 123.19 3fg1 h ASP 887 Ca 0.05 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.42 3fg1 h ASP 887 Cb 0.27 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 3fg1 h ASP 887 CO 0.01 0.80 0.64 0.44 -2.88 0.00 0.00 179.24 178.24 3fg1 h ASP 888 N 0.84 1.02 0.39 2.28 5.19 -1.91 -0.12 116.42 124.11 3fg1 h ASP 888 Ca 0.19 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 3fg1 h ASP 888 Cb 0.30 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.60 3fg1 h ASP 888 CO -0.00 0.65 -0.19 0.58 -3.12 0.00 0.00 179.24 177.16 3fg1 h VAL 889 N 1.16 0.61 -1.00 -1.35 2.07 -1.41 -3.05 116.25 113.28 3fg1 h VAL 889 Ca 0.43 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.87 3fg1 h VAL 889 Cb 0.16 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 3fg1 h VAL 889 CO -0.17 0.05 0.61 0.11 0.02 0.00 0.00 177.57 178.19 3fg1 h LYS 890 N -0.69 0.68 0.00 1.57 1.57 -0.89 -2.09 116.57 116.73 3fg1 h LYS 890 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3fg1 h LYS 890 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3fg1 h LYS 890 CO 0.09 0.45 -0.16 0.54 -0.57 0.00 0.00 179.45 179.80 3fg1 n ARG 891 N -4.81 0.02 -2.61 3.15 1.74 -0.09 -4.74 116.66 109.32 3fg1 n ARG 891 Ca 0.25 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 3fg1 n ARG 891 Cb 0.63 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3fg1 n ARG 891 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fg1 s ASP 892 N -3.11 6.16 0.52 0.55 2.15 -0.79 -4.85 116.67 117.31 3fg1 s ASP 892 Ca 0.13 -0.55 0.24 0.00 0.43 0.00 0.00 52.55 52.80 3fg1 s ASP 892 Cb 0.18 -2.53 1.43 0.00 -0.30 0.00 0.00 42.92 41.69 3fg1 s ASP 892 CO 0.59 -1.77 2.10 -1.13 -0.17 0.00 0.00 175.17 174.80 3fg1 h ASN 893 N 9.94 0.00 -0.04 -0.34 -1.24 -1.87 -2.19 115.58 119.84 3fg1 h ASN 893 Ca -0.28 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.65 3fg1 h ASN 893 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 3fg1 h ASN 893 CO 1.26 0.10 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.87 3fg1 h GLU 894 N 0.00 0.27 0.00 6.67 5.08 -1.89 -0.97 114.58 123.74 3fg1 h GLU 894 Ca -0.00 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 3fg1 h GLU 894 Cb 0.23 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3fg1 h GLU 894 CO 0.01 0.90 -0.45 0.97 -1.00 0.00 0.00 179.01 179.45 3fg1 h ILE 895 N -0.28 1.24 -0.24 3.13 6.09 -1.80 -0.88 117.51 124.77 3fg1 h ILE 895 Ca -0.03 -1.57 -0.12 0.00 -1.37 0.00 0.00 64.86 61.77 3fg1 h ILE 895 Cb 0.97 1.87 -0.00 0.00 0.47 0.00 0.00 36.82 40.13 3fg1 h ILE 895 CO 0.06 0.44 -0.33 1.56 -3.07 0.00 0.00 178.15 176.81 3fg1 h GLN 896 N 0.00 0.65 -0.74 2.19 1.08 -1.41 -2.66 115.11 114.22 3fg1 h GLN 896 Ca -0.00 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 56.77 3fg1 h GLN 896 Cb 0.83 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 3fg1 h GLN 896 CO 0.06 0.99 0.27 0.77 -0.95 0.00 0.00 178.83 179.97 3fg1 h SER 897 N 0.37 1.03 0.15 1.46 0.02 -1.01 -1.16 113.55 114.41 3fg1 h SER 897 Ca 0.03 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3fg1 h SER 897 Cb 0.91 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3fg1 h SER 897 CO 0.08 0.93 -0.28 -0.25 -1.14 0.00 0.00 176.83 176.17 3fg1 h TRP 898 N 1.08 -0.74 -0.06 3.45 7.01 -1.10 0.14 115.95 125.72 3fg1 h TRP 898 Ca 0.24 0.01 -0.16 0.00 2.11 0.00 0.00 58.89 61.09 3fg1 h TRP 898 Cb 0.24 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 3fg1 h TRP 898 CO 0.02 -0.39 -0.68 0.97 -2.79 0.00 0.00 178.44 175.58 3fg1 h ILE 899 N -0.51 1.40 -0.46 2.65 6.09 -1.37 -3.00 117.51 122.30 3fg1 h ILE 899 Ca 0.02 -2.11 -0.12 0.00 -1.37 0.00 0.00 64.86 61.28 3fg1 h ILE 899 Cb 0.52 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 39.89 3fg1 h ILE 899 CO -0.14 0.63 -0.17 0.22 -3.07 0.00 0.00 178.15 175.62 3fg1 h TYR 900 N 0.20 1.06 -0.64 2.19 3.20 -1.07 0.05 116.97 121.96 3fg1 h TYR 900 Ca -0.02 -0.25 0.05 0.00 3.14 0.00 0.00 58.73 61.65 3fg1 h TYR 900 Cb 1.22 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 3fg1 h TYR 900 CO 0.03 1.04 0.37 0.22 -1.64 0.00 0.00 178.16 178.18 3fg1 h ASP 901 N 0.77 0.57 -0.29 -2.11 3.58 -0.70 0.26 116.42 118.50 3fg1 h ASP 901 Ca 0.11 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3fg1 h ASP 901 Cb 0.74 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3fg1 h ASP 901 CO 0.06 0.38 -0.10 0.58 -2.88 0.00 0.00 179.24 177.29 3fg1 h VAL 902 N 0.71 1.29 -0.26 2.25 2.07 -1.37 0.22 116.25 121.15 3fg1 h VAL 902 Ca 0.28 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3fg1 h VAL 902 Cb 0.12 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3fg1 h VAL 902 CO -0.15 0.37 -0.14 -0.74 0.02 0.00 0.00 177.57 176.93 3fg1 h HIS 903 N 0.34 -0.33 0.20 1.57 -0.00 -0.36 -0.56 115.15 116.01 3fg1 h HIS 903 Ca 0.07 0.03 -0.35 0.00 -0.00 0.00 0.00 60.37 60.12 3fg1 h HIS 903 Cb 0.59 0.19 0.01 0.00 -0.00 0.00 0.00 27.41 28.20 3fg1 h HIS 903 CO 0.05 -0.20 -1.70 -0.22 -0.00 0.00 0.00 177.93 175.86 3fg1 h LYS 904 N -0.11 0.42 -0.00 5.26 1.63 -0.51 -3.42 116.57 119.84 3fg1 h LYS 904 Ca 0.14 -0.71 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 3fg1 h LYS 904 Cb 0.31 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3fg1 h LYS 904 CO -0.33 1.34 -0.08 0.09 -3.45 0.00 0.00 179.45 177.03 3fg1 n ASN 905 N -3.63 0.39 0.00 4.20 5.03 0.73 -4.72 115.26 117.27 3fg1 n ASN 905 Ca -0.24 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.52 3fg1 n ASN 905 Cb 1.08 0.74 0.00 0.00 -1.02 0.00 0.00 39.78 40.57 3fg1 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg1 n GLY 906 N 0.81 -0.38 3.26 7.41 0.00 -0.43 -4.39 105.19 111.47 3fg1 n GLY 906 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3fg1 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg1 n TRP 907 N -2.28 4.76 -2.41 1.61 7.02 -0.35 -0.07 117.44 125.72 3fg1 n TRP 907 Ca 0.00 -3.77 -0.42 0.00 -1.02 0.00 0.00 57.50 52.29 3fg1 n TRP 907 Cb 0.00 -1.57 -0.03 0.00 -2.42 0.00 0.00 31.31 27.29 3fg1 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg1 s ARG 908 N -1.52 4.35 -1.04 -0.99 0.52 -1.26 -4.82 118.95 114.19 3fg1 s ARG 908 Ca 0.31 1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 57.05 3fg1 s ARG 908 Cb -0.07 -3.53 0.07 0.00 0.52 0.00 0.00 34.95 31.93 3fg1 s ARG 908 CO -0.06 -0.44 1.44 0.08 0.02 0.00 0.00 175.30 176.33 3fg1 s VAL 909 N 2.07 4.08 0.47 3.52 1.01 -1.26 -4.98 120.40 125.31 3fg1 s VAL 909 Ca 0.58 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3fg1 s VAL 909 Cb -0.27 -5.03 0.02 0.00 0.00 0.00 0.00 36.38 31.10 3fg1 s VAL 909 CO 0.24 -1.88 0.65 0.20 0.00 0.00 0.00 175.10 174.31 3fg1 s ASN 910 N 4.65 5.50 -0.14 3.32 0.01 -1.26 -4.96 114.94 122.07 3fg1 s ASN 910 Ca 0.45 -0.30 -0.37 0.00 -0.71 0.00 0.00 52.86 51.92 3fg1 s ASN 910 Cb -0.00 -0.69 -0.15 0.00 0.41 0.00 0.00 41.25 40.83 3fg1 s ASN 910 CO -0.08 -0.92 1.71 -2.65 -1.51 0.00 0.00 177.10 173.65 3fg1 n PRO 911 N -2.04 1.52 -0.05 -0.60 -0.02 -1.26 -1.52 135.00 131.04 3fg1 n PRO 911 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3fg1 n PRO 911 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3fg1 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg1 n GLY 912 N 3.94 0.56 3.86 -1.23 0.00 -1.26 -5.07 105.19 105.98 3fg1 n GLY 912 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3fg1 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 913 N -2.09 3.47 0.98 1.61 3.76 -0.58 -4.94 115.29 117.50 3fg1 s HIS 913 Ca 0.00 0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 55.13 3fg1 s HIS 913 Cb 0.00 -1.82 0.18 0.00 1.11 0.00 0.00 32.58 32.05 3fg1 s HIS 913 CO 0.00 0.63 1.09 -0.65 -0.85 0.00 0.00 174.74 174.96 3fg1 s GLN 914 N -1.68 0.60 0.41 1.40 -1.52 -0.32 -4.83 119.66 113.72 3fg1 s GLN 914 Ca 0.23 0.63 -0.26 0.00 -1.95 0.00 0.00 55.36 54.02 3fg1 s GLN 914 Cb -0.12 -1.75 -0.08 0.00 -0.22 0.00 0.00 33.01 30.84 3fg1 s GLN 914 CO 0.14 -2.65 1.28 0.34 -0.25 0.00 0.00 175.29 174.16 3fg1 s ASP 915 N -3.39 6.28 0.00 5.90 2.15 -1.26 -4.86 116.67 121.49 3fg1 s ASP 915 Ca 0.65 2.60 0.22 0.00 0.43 0.00 0.00 52.55 56.45 3fg1 s ASP 915 Cb -0.19 -2.63 0.56 0.00 -0.30 0.00 0.00 42.92 40.36 3fg1 s ASP 915 CO 0.58 -0.87 1.48 1.41 -0.17 0.00 0.00 175.17 177.60 3fg1 n HIS 916 N 0.04 0.76 -1.15 -5.34 8.25 -1.26 -4.68 115.22 111.83 3fg1 n HIS 916 Ca 0.04 -0.38 -0.05 0.00 -0.26 0.00 0.00 57.72 57.07 3fg1 n HIS 916 Cb 0.44 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 3fg1 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg1 n GLY 917 N 1.55 0.66 3.60 -1.41 0.00 -1.26 -0.60 105.19 107.72 3fg1 n GLY 917 Ca 0.22 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3fg1 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg1 s VAL 918 N -1.80 4.87 0.65 1.61 1.01 -1.26 -4.47 120.40 121.01 3fg1 s VAL 918 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 3fg1 s VAL 918 Cb 0.00 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 3fg1 s VAL 918 CO 0.00 -0.21 1.22 -2.16 0.00 0.00 0.00 175.10 173.95 3fg1 s PRO 919 N 2.77 2.62 0.28 2.72 0.04 -1.26 -4.80 135.00 137.36 3fg1 s PRO 919 Ca 0.28 1.81 0.24 0.00 0.04 0.00 0.00 61.00 63.37 3fg1 s PRO 919 Cb -0.14 -1.88 0.41 0.00 0.04 0.00 0.00 34.50 32.92 3fg1 s PRO 919 CO 0.13 -1.48 1.50 0.00 0.04 0.00 0.00 177.00 177.19 3fg1 h ALA 920 N 0.38 0.84 -2.88 8.56 0.00 -1.96 -3.42 119.26 120.78 3fg1 h ALA 920 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3fg1 h ALA 920 Cb 1.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3fg1 h ALA 920 CO 0.53 0.00 -0.01 -1.54 0.00 0.00 0.00 179.25 178.23 3fg1 s SER 921 N -5.25 -0.15 -0.16 0.00 1.04 -1.26 -4.11 113.70 103.80 3fg1 s SER 921 Ca 0.07 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.60 3fg1 s SER 921 Cb 0.09 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 3fg1 s SER 921 CO 0.68 -1.20 0.07 -0.36 0.98 0.00 0.00 173.24 173.41 3fg1 s PHE 922 N -3.99 3.28 -0.15 5.02 0.40 -1.26 -5.00 117.98 116.29 3fg1 s PHE 922 Ca 0.19 0.14 0.22 0.00 -0.60 0.00 0.00 56.93 56.88 3fg1 s PHE 922 Cb -0.02 -2.03 -0.30 0.00 0.51 0.00 0.00 43.02 41.18 3fg1 s PHE 922 CO 0.08 0.26 0.57 0.39 0.70 0.00 0.00 175.22 177.22 3fg1 n GLU 923 N 3.20 0.59 -3.73 0.44 -0.58 -1.26 -4.29 120.64 115.01 3fg1 n GLU 923 Ca -0.17 -0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.31 3fg1 n GLU 923 Cb 0.53 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 3fg1 n GLU 923 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fg1 s SER 924 N -4.42 -0.11 0.25 1.62 1.04 -1.26 -4.71 113.70 106.12 3fg1 s SER 924 Ca -0.06 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 3fg1 s SER 924 Cb 0.14 0.43 0.35 0.00 0.10 0.00 0.00 66.02 67.04 3fg1 s SER 924 CO 0.90 -0.82 1.87 0.03 0.98 0.00 0.00 173.24 176.19 3fg1 h ARG 925 N 2.49 1.06 -0.51 4.02 3.08 -1.87 -2.44 114.38 120.22 3fg1 h ARG 925 Ca -0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3fg1 h ARG 925 Cb 1.24 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3fg1 h ARG 925 CO 0.50 0.70 0.32 1.49 -1.07 0.00 0.00 179.97 181.91 3fg1 h GLU 926 N 1.09 0.68 -0.58 0.04 4.81 -1.99 -0.51 114.58 118.13 3fg1 h GLU 926 Ca 0.40 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3fg1 h GLU 926 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3fg1 h GLU 926 CO -0.16 0.48 -0.02 0.37 -0.73 0.00 0.00 179.01 178.95 3fg1 h GLN 927 N 0.68 1.02 -0.56 1.92 4.15 -1.94 -1.37 115.11 119.02 3fg1 h GLN 927 Ca 0.18 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3fg1 h GLN 927 Cb -0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 3fg1 h GLN 927 CO -0.04 1.01 0.25 1.25 -1.93 0.00 0.00 178.83 179.37 3fg1 h LEU 928 N 0.93 0.75 -0.51 -2.39 5.85 -1.23 -2.06 115.31 116.65 3fg1 h LEU 928 Ca 0.16 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3fg1 h LEU 928 Cb 0.56 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3fg1 h LEU 928 CO 0.03 0.68 0.31 0.50 -0.34 0.00 0.00 178.44 179.62 3fg1 h LYS 929 N 0.76 0.69 -0.40 1.25 3.64 -0.89 -1.00 116.57 120.62 3fg1 h LYS 929 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3fg1 h LYS 929 Cb 0.15 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3fg1 h LYS 929 CO -0.02 0.50 0.23 1.49 -2.27 0.00 0.00 179.45 179.38 3fg1 h GLU 930 N 0.68 0.55 -0.28 1.90 4.81 -1.04 0.13 114.58 121.32 3fg1 h GLU 930 Ca 0.18 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3fg1 h GLU 930 Cb -0.01 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3fg1 h GLU 930 CO -0.03 0.43 -0.38 0.28 -0.73 0.00 0.00 179.01 178.57 3fg1 h VAL 931 N 0.53 1.30 -0.45 0.32 2.07 -1.19 -0.64 116.25 118.19 3fg1 h VAL 931 Ca 0.14 -1.57 -0.12 0.00 0.82 0.00 0.00 66.70 65.98 3fg1 h VAL 931 Cb 0.02 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3fg1 h VAL 931 CO -0.03 0.50 -0.19 -0.07 0.02 0.00 0.00 177.57 177.81 3fg1 h LEU 932 N 0.51 0.89 -0.14 2.57 3.38 -1.11 -1.31 115.31 120.10 3fg1 h LEU 932 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fg1 h LEU 932 Cb 0.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fg1 h LEU 932 CO 0.09 1.06 0.08 0.74 0.09 0.00 0.00 178.44 180.50 3fg1 h THR 933 N 0.77 1.10 -0.49 0.22 2.02 -0.89 0.40 112.91 116.04 3fg1 h THR 933 Ca 0.11 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.11 3fg1 h THR 933 Cb 0.73 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 3fg1 h THR 933 CO 0.06 0.09 0.13 0.28 0.37 0.00 0.00 175.52 176.44 3fg1 h SER 934 N 0.13 0.07 -0.05 4.18 0.02 -0.88 -0.22 113.55 116.80 3fg1 h SER 934 Ca 0.05 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3fg1 h SER 934 Cb 0.07 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3fg1 h SER 934 CO -0.01 0.06 0.00 0.25 -1.14 0.00 0.00 176.83 176.00 3fg1 h LEU 935 N 0.28 0.08 -0.26 5.07 5.85 -0.94 -1.77 115.31 123.61 3fg1 h LEU 935 Ca 0.24 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3fg1 h LEU 935 Cb 0.30 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3fg1 h LEU 935 CO -0.29 0.34 -0.21 0.58 -0.34 0.00 0.00 178.44 178.52 3fg1 h VAL 936 N -0.19 1.31 -0.99 1.05 2.07 -0.76 -0.48 116.25 118.26 3fg1 h VAL 936 Ca 0.01 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.26 3fg1 h VAL 936 Cb 0.30 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3fg1 h VAL 936 CO 0.00 0.43 0.64 0.15 0.02 0.00 0.00 177.57 178.80 3fg1 h PHE 937 N 0.33 1.16 -0.03 1.57 3.57 -1.10 -2.07 116.94 120.37 3fg1 h PHE 937 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3fg1 h PHE 937 Cb 0.76 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3fg1 h PHE 937 CO 0.07 0.55 -0.04 1.15 -2.23 0.00 0.00 178.31 177.82 3fg1 h THR 938 N 1.09 1.40 -0.97 4.41 2.02 -0.74 0.12 112.91 120.24 3fg1 h THR 938 Ca 0.45 -1.24 0.13 0.00 0.77 0.00 0.00 66.41 66.52 3fg1 h THR 938 Cb 0.28 2.16 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 3fg1 h THR 938 CO -0.20 0.33 0.62 -0.26 0.37 0.00 0.00 175.52 176.38 3fg1 h PHE 939 N -0.40 1.05 0.00 3.16 0.05 -0.88 -2.04 116.94 117.88 3fg1 h PHE 939 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3fg1 h PHE 939 Cb 0.56 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 38.18 3fg1 h PHE 939 CO 0.10 0.40 0.00 -1.13 -0.18 0.00 0.00 178.31 177.50 3fg1 n SER 940 N -4.61 0.00 -0.03 2.17 3.41 -0.80 -2.70 113.62 111.06 3fg1 n SER 940 Ca 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 3fg1 n SER 940 Cb 0.40 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3fg1 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg1 h GLN 942 N -0.12 0.10 -0.59 0.00 5.75 -1.16 -0.59 115.11 118.49 3fg1 h GLN 942 Ca 0.03 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3fg1 h GLN 942 Cb 0.43 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 3fg1 h GLN 942 CO 0.01 0.25 0.31 1.25 -2.65 0.00 0.00 178.83 178.00 3fg1 h HIS 943 N -0.08 0.57 -0.06 3.99 2.76 -1.37 -2.22 115.15 118.73 3fg1 h HIS 943 Ca 0.02 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3fg1 h HIS 943 Cb 0.19 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3fg1 h HIS 943 CO -0.01 0.26 -0.02 0.00 -1.30 0.00 0.00 177.93 176.86 3fg1 h ALA 944 N 1.32 0.04 -0.87 5.26 0.00 -0.90 0.83 119.26 124.94 3fg1 h ALA 944 Ca 0.27 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.34 3fg1 h ALA 944 Cb 0.18 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3fg1 h ALA 944 CO -0.18 -0.50 0.56 0.00 0.00 0.00 0.00 179.25 179.13 3fg1 h ALA 945 N 1.05 1.82 -0.00 0.00 0.00 -0.75 -0.56 119.26 120.82 3fg1 h ALA 945 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 945 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fg1 h ALA 945 CO -0.07 -0.04 -0.84 1.33 0.00 0.00 0.00 179.25 179.62 3fg1 n VAL 946 N -4.55 0.00 -0.09 0.00 0.24 -0.87 -4.24 118.33 108.83 3fg1 n VAL 946 Ca 0.16 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.25 3fg1 n VAL 946 Cb 0.44 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 3fg1 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg1 n ASN 947 N -1.21 1.76 0.00 -1.34 2.85 0.26 -4.68 115.26 112.90 3fg1 n ASN 947 Ca 0.05 0.30 0.13 0.00 -0.11 0.00 0.00 54.58 54.94 3fg1 n ASN 947 Cb 0.33 -0.68 0.63 0.00 1.24 0.00 0.00 39.78 41.30 3fg1 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg1 n PHE 948 N -4.22 0.00 1.11 1.20 3.01 -0.24 -2.04 117.46 116.28 3fg1 n PHE 948 Ca -0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.34 3fg1 n PHE 948 Cb 0.58 -0.33 0.60 0.00 -0.01 0.00 0.00 39.48 40.31 3fg1 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg1 n SER 949 N -1.33 0.00 0.12 4.37 3.41 -1.25 -4.22 113.62 114.71 3fg1 n SER 949 Ca 0.11 -0.01 -0.03 0.00 -0.26 0.00 0.00 58.87 58.68 3fg1 n SER 949 Cb 0.22 -0.30 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 3fg1 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg1 h GLN 950 N 0.00 0.08 -0.03 4.33 4.20 -1.69 -2.55 115.11 119.44 3fg1 h GLN 950 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 3fg1 h GLN 950 Cb 0.24 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3fg1 h GLN 950 CO 0.00 0.70 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.63 3fg1 h LYS 951 N 0.06 -0.01 -0.07 1.46 3.11 -1.83 0.19 116.57 119.49 3fg1 h LYS 951 Ca -0.01 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 3fg1 h LYS 951 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 3fg1 h LYS 951 CO 0.09 -0.00 -0.44 -0.44 -2.81 0.00 0.00 179.45 175.85 3fg1 h ASP 952 N -0.01 0.16 0.04 4.20 3.45 -1.85 -0.50 116.42 121.91 3fg1 h ASP 952 Ca 0.02 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 3fg1 h ASP 952 Cb 0.03 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 38.77 3fg1 h ASP 952 CO -0.04 0.58 -0.36 -0.74 -1.57 0.00 0.00 179.24 177.12 3fg1 h HIS 953 N 0.13 0.28 0.00 4.55 2.76 -1.24 -3.37 115.15 118.26 3fg1 h HIS 953 Ca 0.01 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 3fg1 h HIS 953 Cb 0.83 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.77 3fg1 h HIS 953 CO 0.01 1.07 -0.67 0.66 -1.30 0.00 0.00 177.93 177.70 3fg1 n TYR 954 N -4.41 0.00 -0.28 5.26 4.02 0.66 -4.23 117.16 118.18 3fg1 n TYR 954 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.79 3fg1 n TYR 954 Cb 0.60 -0.03 0.14 0.00 -0.02 0.00 0.00 39.34 40.03 3fg1 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3fg1 h GLY 955 N 2.75 1.21 -7.40 2.72 0.00 -1.16 -3.29 103.07 97.90 3fg1 h GLY 955 Ca 0.00 -0.33 -0.73 0.00 0.00 0.00 0.00 47.33 46.27 3fg1 h GLY 955 CO 0.00 0.19 -0.38 -0.12 0.00 0.00 0.00 176.54 176.23 3fg1 s PHE 956 N -6.06 3.25 0.25 5.60 5.36 -1.26 -4.56 117.98 120.56 3fg1 s PHE 956 Ca -0.13 -0.82 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 3fg1 s PHE 956 Cb 0.18 -2.90 0.28 0.00 -0.34 0.00 0.00 43.02 40.23 3fg1 s PHE 956 CO 0.78 -0.71 1.92 1.15 -1.46 0.00 0.00 175.22 176.90 3fg1 h THR 957 N 5.72 1.24 0.00 0.12 2.02 -1.85 -0.35 112.91 119.81 3fg1 h THR 957 Ca -0.28 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3fg1 h THR 957 Cb 1.11 -0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3fg1 h THR 957 CO 0.81 0.25 0.00 -0.65 0.37 0.00 0.00 175.52 176.29 3fg1 h PRO 958 N 1.35 0.00 0.00 6.66 0.11 -1.91 -0.77 132.00 137.43 3fg1 h PRO 958 Ca 0.38 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 3fg1 h PRO 958 Cb -0.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 3fg1 h PRO 958 CO -0.09 0.00 -0.09 -0.97 -0.21 0.00 0.00 178.00 176.64 3fg1 h ASN 959 N 0.00 0.00 -0.32 -2.05 -0.73 -1.35 -3.40 115.58 107.73 3fg1 h ASN 959 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 3fg1 h ASN 959 Cb 0.20 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.64 3fg1 h ASN 959 CO 0.00 0.09 -0.28 0.00 -0.37 0.00 0.00 177.43 176.86 3fg1 n ALA 960 N -2.39 -2.72 -1.76 1.57 0.00 -0.35 -5.01 120.51 109.85 3fg1 n ALA 960 Ca -0.02 -0.63 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 3fg1 n ALA 960 Cb 0.17 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.27 3fg1 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 961 N 0.69 3.40 0.00 0.00 0.04 -0.86 -4.86 135.00 133.41 3fg1 s PRO 961 Ca 0.28 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.24 3fg1 s PRO 961 Cb 0.13 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3fg1 s PRO 961 CO -0.12 -0.88 0.21 0.00 0.04 0.00 0.00 177.00 176.25 3fg1 n ALA 962 N -0.91 2.31 -2.87 8.56 0.00 -1.26 -3.20 120.51 123.14 3fg1 n ALA 962 Ca 0.10 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3fg1 n ALA 962 Cb 0.48 -0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 3fg1 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg1 s ILE 963 N -0.92 0.91 0.11 0.00 1.01 -1.26 -0.87 121.20 120.18 3fg1 s ILE 963 Ca 0.01 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.31 3fg1 s ILE 963 Cb 0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3fg1 s ILE 963 CO 0.06 0.27 -0.25 -0.76 0.00 0.00 0.00 174.94 174.26 3fg1 s LEU 964 N 0.01 2.29 0.00 2.97 1.43 -1.24 -3.30 118.68 120.84 3fg1 s LEU 964 Ca -0.00 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3fg1 s LEU 964 Cb -0.07 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3fg1 s LEU 964 CO 0.00 0.16 0.63 0.54 0.23 0.00 0.00 176.35 177.92 3fg1 n ARG 965 N 1.12 2.15 -4.19 1.70 1.74 0.11 -1.03 116.66 118.26 3fg1 n ARG 965 Ca -0.18 -0.58 -0.15 0.00 -0.77 0.00 0.00 57.85 56.17 3fg1 n ARG 965 Cb 0.53 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 3fg1 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg1 s HIS 966 N -1.43 1.12 1.01 -1.55 3.76 -1.26 -4.82 115.29 112.12 3fg1 s HIS 966 Ca 0.08 -0.66 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 3fg1 s HIS 966 Cb 0.08 -0.60 0.18 0.00 1.11 0.00 0.00 32.58 33.35 3fg1 s HIS 966 CO 0.27 0.02 0.98 -2.30 -0.85 0.00 0.00 174.74 172.87 3fg1 n PRO 967 N 0.46 -1.14 -1.12 8.40 -0.02 -1.26 -4.84 135.00 135.48 3fg1 n PRO 967 Ca -0.15 -0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 60.74 3fg1 n PRO 967 Cb 0.58 -2.23 0.13 0.00 -0.02 0.00 0.00 33.50 31.96 3fg1 n PRO 967 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3fg1 s PRO 968 N -4.41 1.44 0.47 0.52 0.02 -1.26 -5.00 135.00 126.77 3fg1 s PRO 968 Ca 0.66 1.04 -0.22 0.00 0.02 0.00 0.00 61.00 62.49 3fg1 s PRO 968 Cb -0.23 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 3fg1 s PRO 968 CO 0.62 -2.17 1.13 -1.25 -0.33 0.00 0.00 177.00 174.99 3fg1 s PRO 969 N -4.86 3.74 0.00 5.54 0.04 -1.26 -4.95 135.00 133.25 3fg1 s PRO 969 Ca 0.63 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.48 3fg1 s PRO 969 Cb -0.19 -2.32 0.25 0.00 0.04 0.00 0.00 34.50 32.28 3fg1 s PRO 969 CO 0.57 -0.54 1.13 1.63 0.04 0.00 0.00 177.00 179.83 3fg1 n LYS 970 N -0.62 1.90 -3.72 4.56 5.02 -1.26 -4.76 118.16 119.28 3fg1 n LYS 970 Ca 0.08 -1.77 -0.13 0.00 -2.02 0.00 0.00 58.31 54.48 3fg1 n LYS 970 Cb 0.49 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 3fg1 n LYS 970 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3fg1 s LYS 971 N -1.08 0.81 0.68 1.97 0.00 -1.26 -4.21 119.74 116.64 3fg1 s LYS 971 Ca 0.23 -0.31 -0.10 0.00 0.00 0.00 0.00 55.97 55.78 3fg1 s LYS 971 Cb 0.13 0.36 0.01 0.00 0.00 0.00 0.00 37.83 38.33 3fg1 s LYS 971 CO 0.19 -0.25 1.06 0.15 0.00 0.00 0.00 175.35 176.49 3fg1 s LYS 972 N -2.03 2.90 0.00 1.78 1.02 -1.26 -4.37 119.74 117.78 3fg1 s LYS 972 Ca -0.08 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.29 3fg1 s LYS 972 Cb -0.02 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3fg1 s LYS 972 CO 0.00 -0.95 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 3fg1 n GLY 973 N -2.92 1.13 0.09 -3.33 0.00 -1.26 -4.93 105.19 93.96 3fg1 n GLY 973 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3fg1 n GLY 973 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fg1 h GLU 974 N 3.11 0.11 -6.58 1.61 -0.00 -2.00 -3.48 114.58 107.35 3fg1 h GLU 974 Ca 0.00 -0.16 -0.53 0.00 -0.00 0.00 0.00 59.36 58.67 3fg1 h GLU 974 Cb 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 28.75 28.83 3fg1 h GLU 974 CO 0.00 1.03 0.70 0.00 -0.00 0.00 0.00 179.01 180.74 3fg1 s ALA 975 N -2.84 3.57 0.25 1.06 0.00 -1.26 -5.01 121.76 117.53 3fg1 s ALA 975 Ca -0.01 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3fg1 s ALA 975 Cb 0.09 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3fg1 s ALA 975 CO 0.84 -0.59 -0.13 0.95 0.00 0.00 0.00 175.76 176.83 3fg1 s THR 976 N 0.85 1.87 0.40 0.00 -4.23 -1.26 -4.64 115.64 108.62 3fg1 s THR 976 Ca 0.62 -2.22 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 3fg1 s THR 976 Cb -0.37 -2.23 0.36 0.00 1.34 0.00 0.00 72.50 71.60 3fg1 s THR 976 CO 0.32 -0.46 1.85 0.25 -0.54 0.00 0.00 174.62 176.05 3fg1 h LEU 977 N 2.40 0.48 -0.25 4.79 5.85 -1.96 -0.66 115.31 125.96 3fg1 h LEU 977 Ca -0.39 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.18 3fg1 h LEU 977 Cb 1.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3fg1 h LEU 977 CO 0.63 0.20 -0.60 -0.61 -0.34 0.00 0.00 178.44 177.73 3fg1 h GLN 978 N 0.48 0.85 -0.02 1.25 5.75 -1.96 -1.18 115.11 120.29 3fg1 h GLN 978 Ca 0.47 -0.58 -0.15 0.00 -0.15 0.00 0.00 58.65 58.24 3fg1 h GLN 978 Cb 1.06 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 3fg1 h GLN 978 CO -0.20 1.21 -0.67 0.66 -2.65 0.00 0.00 178.83 177.17 3fg1 h SER 979 N 0.62 0.14 0.45 -0.69 4.64 -1.81 -2.13 113.55 114.78 3fg1 h SER 979 Ca -0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3fg1 h SER 979 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fg1 h SER 979 CO 0.13 0.77 -0.22 0.40 -0.87 0.00 0.00 176.83 177.05 3fg1 h ILE 980 N 0.08 0.49 -0.59 0.95 2.04 -1.06 -2.24 117.51 117.19 3fg1 h ILE 980 Ca -0.01 -0.40 0.16 0.00 1.00 0.00 0.00 64.86 65.61 3fg1 h ILE 980 Cb 1.20 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3fg1 h ILE 980 CO 0.10 0.06 0.42 -0.07 0.00 0.00 0.00 178.15 178.66 3fg1 h LEU 981 N -0.86 0.09 -0.00 1.44 3.38 -1.24 0.29 115.31 118.40 3fg1 h LEU 981 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fg1 h LEU 981 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3fg1 h LEU 981 CO 0.10 0.05 -0.16 -1.54 0.09 0.00 0.00 178.44 176.98 3fg1 n SER 982 N -4.40 0.16 -0.02 -0.43 3.41 -0.80 -3.75 113.62 107.79 3fg1 n SER 982 Ca 0.11 0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.76 3fg1 n SER 982 Cb 0.60 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 3fg1 n SER 982 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fg1 n THR 983 N -1.49 1.73 -0.72 6.66 -1.04 0.75 -4.62 114.28 115.55 3fg1 n THR 983 Ca 0.07 -0.63 -0.32 0.00 -2.04 0.00 0.00 64.05 61.12 3fg1 n THR 983 Cb 0.34 -1.68 0.15 0.00 -1.82 0.00 0.00 70.33 67.32 3fg1 n THR 983 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3fg1 n LEU 984 N -3.45 0.76 -4.69 -4.42 4.77 0.23 0.08 117.00 110.28 3fg1 n LEU 984 Ca -0.35 0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 3fg1 n LEU 984 Cb 1.03 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 3fg1 n LEU 984 CO 0.39 -3.06 0.82 -2.65 -1.33 0.00 0.00 177.39 171.57 3fg1 n PRO 985 N -2.84 1.71 -0.61 3.23 -0.02 -1.21 -4.57 135.00 130.69 3fg1 n PRO 985 Ca 0.08 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 3fg1 n PRO 985 Cb 0.54 -2.34 0.20 0.00 -0.02 0.00 0.00 33.50 31.88 3fg1 n PRO 985 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fg1 n SER 986 N -0.03 -0.33 -0.20 2.55 3.41 -1.26 -4.69 113.62 113.07 3fg1 n SER 986 Ca 0.08 0.23 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 3fg1 n SER 986 Cb 0.41 -1.41 0.28 0.00 -0.26 0.00 0.00 64.21 63.23 3fg1 n SER 986 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3fg1 h LYS 987 N -2.17 0.90 -0.11 4.33 2.10 -1.98 0.12 116.57 119.76 3fg1 h LYS 987 Ca -0.49 -0.05 -0.21 0.00 -2.00 0.00 0.00 60.65 57.90 3fg1 h LYS 987 Cb 1.29 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3fg1 h LYS 987 CO 0.44 0.60 -0.77 0.66 -2.00 0.00 0.00 179.45 178.37 3fg1 h SER 988 N 0.93 0.71 -0.53 7.07 4.64 -1.99 0.58 113.55 124.96 3fg1 h SER 988 Ca 0.29 -0.47 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 3fg1 h SER 988 Cb 0.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3fg1 h SER 988 CO -0.08 1.24 0.17 1.56 -0.87 0.00 0.00 176.83 178.86 3fg1 h GLN 989 N 0.40 0.81 -0.51 4.77 4.20 -1.75 -1.34 115.11 121.69 3fg1 h GLN 989 Ca -0.05 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3fg1 h GLN 989 Cb 1.37 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 3fg1 h GLN 989 CO 0.15 0.74 0.13 0.00 -0.67 0.00 0.00 178.83 179.18 3fg1 h ALA 990 N 1.03 0.68 -0.61 3.87 0.00 -0.69 -1.85 119.26 121.68 3fg1 h ALA 990 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fg1 h ALA 990 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3fg1 h ALA 990 CO -0.01 0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.95 3fg1 h ALA 991 N 1.00 0.78 -0.69 0.00 0.00 -0.68 -1.86 119.26 117.81 3fg1 h ALA 991 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3fg1 h ALA 991 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3fg1 h ALA 991 CO 0.00 0.29 0.29 0.87 0.00 0.00 0.00 179.25 180.69 3fg1 h LYS 992 N 0.83 1.00 -0.72 0.00 1.57 -1.17 0.00 116.57 118.08 3fg1 h LYS 992 Ca 0.22 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3fg1 h LYS 992 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3fg1 h LYS 992 CO -0.04 0.81 0.33 0.00 -0.57 0.00 0.00 179.45 179.99 3fg1 h ALA 993 N 1.32 0.93 -0.54 3.86 0.00 -0.85 -1.29 119.26 122.69 3fg1 h ALA 993 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fg1 h ALA 993 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fg1 h ALA 993 CO -0.02 0.50 0.16 0.82 0.00 0.00 0.00 179.25 180.71 3fg1 h ILE 994 N 1.01 1.24 -0.44 0.00 2.04 -0.96 -1.32 117.51 119.08 3fg1 h ILE 994 Ca 0.25 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.29 3fg1 h ILE 994 Cb 0.14 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3fg1 h ILE 994 CO -0.03 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.71 3fg1 h ALA 995 N 1.03 0.56 -0.19 1.87 0.00 -0.83 0.82 119.26 122.53 3fg1 h ALA 995 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fg1 h ALA 995 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3fg1 h ALA 995 CO -0.00 0.01 0.05 1.15 0.00 0.00 0.00 179.25 180.45 3fg1 h THR 996 N 0.59 0.93 -0.35 0.00 2.02 -1.10 -2.07 112.91 112.94 3fg1 h THR 996 Ca 0.16 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.33 3fg1 h THR 996 Cb -0.06 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3fg1 h THR 996 CO -0.04 0.02 0.16 0.58 0.37 0.00 0.00 175.52 176.62 3fg1 h VAL 997 N 0.13 0.96 -0.49 3.16 2.07 -0.70 -0.68 116.25 120.70 3fg1 h VAL 997 Ca 0.08 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.58 3fg1 h VAL 997 Cb 0.07 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 3fg1 h VAL 997 CO -0.10 0.06 -0.22 0.22 0.02 0.00 0.00 177.57 177.55 3fg1 h TYR 998 N 0.34 -0.55 -0.36 1.57 3.20 -0.58 -1.79 116.97 118.80 3fg1 h TYR 998 Ca 0.15 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3fg1 h TYR 998 Cb 0.08 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3fg1 h TYR 998 CO -0.11 -0.30 0.01 0.82 -1.64 0.00 0.00 178.16 176.93 3fg1 h ILE 999 N -0.11 1.26 0.00 1.81 2.04 -0.98 -3.12 117.51 118.40 3fg1 h ILE 999 Ca 0.23 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3fg1 h ILE 999 Cb 0.47 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3fg1 h ILE 999 CO -0.56 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.09 3fg1 n LEU 1000N -4.51 0.53 -0.34 1.44 4.77 -0.30 -3.24 117.00 115.36 3fg1 n LEU 1000Ca -0.02 0.58 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 3fg1 n LEU 1000Cb 0.27 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3fg1 n LEU 1000CO 0.40 -0.27 0.58 0.35 -1.33 0.00 0.00 177.39 177.11 3fg1 n THR 1001N -2.03 1.25 -2.85 -5.08 -2.24 -0.70 -4.86 114.28 97.77 3fg1 n THR 1001Ca 0.05 -1.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.15 3fg1 n THR 1001Cb 0.32 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3fg1 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg1 s LYS 1002N -1.44 3.96 0.15 -0.78 2.47 -1.18 -4.99 119.74 117.93 3fg1 s LYS 1002Ca 0.17 0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 54.97 3fg1 s LYS 1002Cb 0.12 -3.74 -0.07 0.00 -1.46 0.00 0.00 37.83 32.67 3fg1 s LYS 1002CO 0.07 -0.77 1.20 -0.06 0.16 0.00 0.00 175.35 175.95 3fg1 s PHE 1003N 3.19 3.44 0.56 4.03 0.40 -1.26 -5.00 117.98 123.33 3fg1 s PHE 1003Ca 0.36 1.38 -0.19 0.00 -0.60 0.00 0.00 56.93 57.88 3fg1 s PHE 1003Cb -0.13 -3.43 -0.05 0.00 0.51 0.00 0.00 43.02 39.92 3fg1 s PHE 1003CO 0.14 -1.23 1.12 0.45 0.70 0.00 0.00 175.22 176.40 3fg1 s SER 1004N 0.42 5.67 0.49 1.36 0.15 -1.26 -4.93 113.70 115.61 3fg1 s SER 1004Ca 0.55 2.14 0.20 0.00 0.70 0.00 0.00 55.95 59.54 3fg1 s SER 1004Cb -0.32 -2.58 1.26 0.00 -1.71 0.00 0.00 66.02 62.68 3fg1 s SER 1004CO 0.34 -1.25 2.06 -0.33 1.20 0.00 0.00 173.24 175.26 3fg1 h GLU 1005N 1.06 0.00 -0.66 5.44 3.07 -1.96 -2.24 114.58 119.29 3fg1 h GLU 1005Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3fg1 h GLU 1005Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3fg1 h GLU 1005CO 0.57 0.13 0.00 -0.40 -1.40 0.00 0.00 179.01 177.90 3fg1 n ASP 1006N -4.08 4.15 -4.63 1.42 5.75 -1.26 -4.99 116.55 112.91 3fg1 n ASP 1006Ca -0.02 -2.27 -0.45 0.00 -0.01 0.00 0.00 54.79 52.03 3fg1 n ASP 1006Cb 0.21 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 3fg1 n ASP 1006CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3fg1 n GLU 1007N 1.17 1.66 -4.74 0.11 4.07 -0.84 -5.01 120.64 117.06 3fg1 n GLU 1007Ca 0.23 0.59 -0.33 0.00 -0.06 0.00 0.00 57.16 57.59 3fg1 n GLU 1007Cb 0.74 -2.12 -0.14 0.00 -0.06 0.00 0.00 31.44 29.87 3fg1 n GLU 1007CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3fg1 s ARG 1008N -0.92 3.29 0.53 5.31 0.52 -1.26 -5.05 118.95 121.38 3fg1 s ARG 1008Ca 0.65 -0.66 0.09 0.00 -0.52 0.00 0.00 55.73 55.29 3fg1 s ARG 1008Cb -0.70 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.20 3fg1 s ARG 1008CO 0.55 0.29 0.72 0.71 0.02 0.00 0.00 175.30 177.58 3fg1 s TYR 1009N 0.17 1.76 -0.10 -0.53 1.51 -1.26 -1.33 117.35 117.57 3fg1 s TYR 1009Ca -0.06 -0.65 -0.36 0.00 -1.01 0.00 0.00 57.07 54.99 3fg1 s TYR 1009Cb -0.15 -2.24 -0.13 0.00 -0.11 0.00 0.00 41.96 39.34 3fg1 s TYR 1009CO 0.05 -0.94 1.79 -0.11 -1.11 0.00 0.00 175.55 175.23 3fg1 n LEU 1010N -2.12 3.08 0.00 -1.29 7.94 0.17 -0.71 117.00 124.07 3fg1 n LEU 1010Ca 0.13 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3fg1 n LEU 1010Cb 0.61 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3fg1 n LEU 1010CO 0.40 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 3fg1 n GLY 1011N 4.16 1.08 3.57 -3.96 0.00 -1.26 -4.91 105.19 103.87 3fg1 n GLY 1011Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3fg1 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg1 s ASN 1012N -3.07 6.05 -0.33 1.61 3.84 0.12 -4.82 114.94 118.34 3fg1 s ASN 1012Ca 0.00 0.24 0.07 0.00 0.21 0.00 0.00 52.86 53.38 3fg1 s ASN 1012Cb 0.00 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.66 3fg1 s ASN 1012CO 0.00 -1.78 1.49 -1.22 -2.79 0.00 0.00 177.10 172.80 3fg1 n TYR 1013N 9.85 1.49 0.29 0.43 4.01 -1.26 -4.68 117.16 127.30 3fg1 n TYR 1013Ca 0.12 -1.80 0.17 0.00 -0.16 0.00 0.00 57.90 56.23 3fg1 n TYR 1013Cb 0.49 -0.56 0.84 0.00 -0.31 0.00 0.00 39.34 39.80 3fg1 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg1 h SER 1014N 1.21 0.00 -0.83 7.72 4.64 -1.99 -2.45 113.55 121.84 3fg1 h SER 1014Ca 0.28 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.01 3fg1 h SER 1014Cb 1.62 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.33 3fg1 h SER 1014CO 0.54 0.06 -0.24 0.00 -0.87 0.00 0.00 176.83 176.31 3fg1 n ALA 1015N -2.17 5.47 -2.47 5.18 0.00 -1.26 -5.01 120.51 120.24 3fg1 n ALA 1015Ca -0.01 -3.68 -0.22 0.00 0.00 0.00 0.00 53.44 49.53 3fg1 n ALA 1015Cb 0.22 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 3fg1 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg1 s THR 1016N -4.68 3.32 -0.25 0.00 -4.23 -0.93 -4.95 115.64 103.93 3fg1 s THR 1016Ca 0.56 -1.43 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 3fg1 s THR 1016Cb 0.44 -3.12 0.73 0.00 1.34 0.00 0.00 72.50 71.89 3fg1 s THR 1016CO 0.02 -0.15 1.68 0.00 -0.54 0.00 0.00 174.62 175.63 3fg1 n ALA 1017N -1.35 3.90 -1.93 3.99 0.00 -1.26 -5.00 120.51 118.87 3fg1 n ALA 1017Ca -0.01 -2.19 -0.41 0.00 0.00 0.00 0.00 53.44 50.83 3fg1 n ALA 1017Cb 0.60 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3fg1 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s TRP 1018N -2.87 3.35 0.00 0.00 0.52 -1.26 -4.80 118.94 113.88 3fg1 s TRP 1018Ca 0.52 1.43 0.00 0.00 0.02 0.00 0.00 56.10 58.07 3fg1 s TRP 1018Cb 0.41 -3.48 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 3fg1 s TRP 1018CO 0.13 -1.34 0.00 0.39 0.02 0.00 0.00 176.95 176.15 3fg1 n GLU 1019N 1.96 3.52 -1.83 4.98 -0.58 -1.26 -5.02 120.64 122.41 3fg1 n GLU 1019Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 3fg1 n GLU 1019Cb 0.44 -0.95 -0.03 0.00 -0.57 0.00 0.00 31.44 30.33 3fg1 n GLU 1019CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3fg1 s ASP 1020N -2.78 6.52 0.34 1.62 -1.08 -1.26 -4.89 116.67 115.14 3fg1 s ASP 1020Ca 0.00 2.63 0.02 0.00 -0.52 0.00 0.00 52.55 54.68 3fg1 s ASP 1020Cb 0.00 -2.57 0.59 0.00 -1.46 0.00 0.00 42.92 39.48 3fg1 s ASP 1020CO 0.00 -0.93 1.97 0.11 0.52 0.00 0.00 175.17 176.83 3fg1 h LYS 1021N 8.19 0.81 -0.47 4.34 6.56 -1.99 -1.47 116.57 132.53 3fg1 h LYS 1021Ca -0.44 -0.08 -0.09 0.00 -1.06 0.00 0.00 60.65 58.98 3fg1 h LYS 1021Cb 1.21 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 3fg1 h LYS 1021CO 0.94 0.59 -0.08 -0.44 -2.06 0.00 0.00 179.45 178.39 3fg1 h ASP 1022N 0.82 0.83 -0.47 0.86 3.45 -1.99 -1.19 116.42 118.73 3fg1 h ASP 1022Ca 0.21 -0.24 -0.04 0.00 0.43 0.00 0.00 57.03 57.39 3fg1 h ASP 1022Cb 0.01 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 3fg1 h ASP 1022CO -0.04 0.94 0.13 0.00 -1.57 0.00 0.00 179.24 178.71 3fg1 h ALA 1023N 1.14 0.61 -0.91 3.45 0.00 -1.78 -0.62 119.26 121.15 3fg1 h ALA 1023Ca 0.13 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fg1 h ALA 1023Cb 0.58 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3fg1 h ALA 1023CO 0.04 0.28 0.60 -0.07 0.00 0.00 0.00 179.25 180.09 3fg1 h LEU 1024N 0.62 0.97 -0.46 0.00 3.38 -1.11 0.71 115.31 119.42 3fg1 h LEU 1024Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3fg1 h LEU 1024Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3fg1 h LEU 1024CO -0.00 0.66 0.16 0.44 0.09 0.00 0.00 178.44 179.80 3fg1 h ASP 1025N 1.13 0.65 -0.90 -0.43 3.32 -0.97 -1.23 116.42 117.99 3fg1 h ASP 1025Ca 0.37 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3fg1 h ASP 1025Cb 0.04 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3fg1 h ASP 1025CO -0.11 0.66 0.48 0.00 -1.72 0.00 0.00 179.24 178.55 3fg1 h ALA 1026N 1.01 1.15 -0.33 3.45 0.00 -0.59 -2.14 119.26 121.82 3fg1 h ALA 1026Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fg1 h ALA 1026Cb 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3fg1 h ALA 1026CO -0.01 0.67 0.19 0.82 0.00 0.00 0.00 179.25 180.91 3fg1 h ILE 1027N 1.26 1.03 -0.56 0.00 2.04 -0.66 -2.01 117.51 118.61 3fg1 h ILE 1027Ca 0.31 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 66.15 3fg1 h ILE 1027Cb 0.04 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 3fg1 h ILE 1027CO -0.05 0.07 0.05 0.78 0.00 0.00 0.00 178.15 179.00 3fg1 h ASN 1028N 0.38 -0.14 -0.48 1.72 2.35 -0.80 -0.27 115.58 118.34 3fg1 h ASN 1028Ca 0.13 0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 3fg1 h ASN 1028Cb 0.01 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3fg1 h ASN 1028CO -0.06 -0.05 -0.02 0.03 -1.65 0.00 0.00 177.43 175.67 3fg1 h ARG 1029N 0.17 0.86 -0.16 0.81 3.08 -1.25 -0.96 114.38 116.93 3fg1 h ARG 1029Ca 0.29 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3fg1 h ARG 1029Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3fg1 h ARG 1029CO -0.43 0.91 0.09 0.35 -1.07 0.00 0.00 179.97 179.82 3fg1 h PHE 1030N 0.71 0.17 -0.73 3.04 3.57 -0.85 -0.04 116.94 122.80 3fg1 h PHE 1030Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3fg1 h PHE 1030Cb 0.54 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3fg1 h PHE 1030CO 0.04 0.10 0.33 1.96 -2.23 0.00 0.00 178.31 178.51 3fg1 h GLN 1031N 0.19 1.07 -0.58 1.11 4.20 -0.85 -1.20 115.11 119.05 3fg1 h GLN 1031Ca 0.06 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3fg1 h GLN 1031Cb -0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3fg1 h GLN 1031CO -0.03 0.86 0.07 -0.44 -0.67 0.00 0.00 178.83 178.62 3fg1 h ASP 1032N 1.04 0.92 -0.77 1.46 3.32 -0.98 -1.81 116.42 119.60 3fg1 h ASP 1032Ca 0.25 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3fg1 h ASP 1032Cb 0.16 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3fg1 h ASP 1032CO -0.03 0.94 0.34 0.50 -1.72 0.00 0.00 179.24 179.27 3fg1 h LYS 1033N 0.90 1.13 -0.49 3.56 1.63 -0.58 -2.32 116.57 120.40 3fg1 h LYS 1033Ca 0.18 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3fg1 h LYS 1033Cb 0.43 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3fg1 h LYS 1033CO 0.01 0.90 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.83 3fg1 h LEU 1034N 1.10 0.79 -0.81 5.20 3.38 -0.93 -1.34 115.31 122.71 3fg1 h LEU 1034Ca 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3fg1 h LEU 1034Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3fg1 h LEU 1034CO -0.03 0.87 0.43 -0.08 0.09 0.00 0.00 178.44 179.72 3fg1 h GLU 1035N 0.77 1.13 -0.44 1.13 4.81 -1.17 0.18 114.58 120.99 3fg1 h GLU 1035Ca 0.15 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3fg1 h GLU 1035Cb 0.48 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3fg1 h GLU 1035CO 0.02 0.84 0.21 -0.44 -0.73 0.00 0.00 179.01 178.91 3fg1 h ASP 1036N 1.13 0.59 -0.28 1.04 3.32 -0.98 -2.05 116.42 119.17 3fg1 h ASP 1036Ca 0.28 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3fg1 h ASP 1036Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3fg1 h ASP 1036CO -0.04 0.56 0.18 0.40 -1.72 0.00 0.00 179.24 178.61 3fg1 h ILE 1037N 0.57 1.10 -0.10 0.35 2.04 -0.85 -1.81 117.51 118.81 3fg1 h ILE 1037Ca 0.15 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3fg1 h ILE 1037Cb 0.13 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3fg1 h ILE 1037CO -0.02 0.09 -0.22 -1.28 0.00 0.00 0.00 178.15 176.73 3fg1 h SER 1038N 0.37 -0.67 -0.61 1.72 0.87 -0.42 -0.58 113.55 114.23 3fg1 h SER 1038Ca 0.10 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3fg1 h SER 1038Cb 0.00 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 3fg1 h SER 1038CO -0.02 -0.27 0.35 0.11 -0.53 0.00 0.00 176.83 176.47 3fg1 h LYS 1039N -0.30 0.65 -0.77 2.24 6.56 -1.25 -0.87 116.57 122.84 3fg1 h LYS 1039Ca 0.09 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3fg1 h LYS 1039Cb 0.43 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 31.90 3fg1 h LYS 1039CO -0.27 0.43 0.49 0.87 -2.06 0.00 0.00 179.45 178.92 3fg1 h LYS 1040N 0.67 1.02 -0.43 3.15 1.57 -0.99 -0.68 116.57 120.89 3fg1 h LYS 1040Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3fg1 h LYS 1040Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3fg1 h LYS 1040CO -0.14 0.69 0.21 0.82 -0.57 0.00 0.00 179.45 180.46 3fg1 h ILE 1041N 1.04 1.18 -0.65 1.86 2.04 -0.73 -0.43 117.51 121.82 3fg1 h ILE 1041Ca 0.28 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3fg1 h ILE 1041Cb -0.09 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3fg1 h ILE 1041CO -0.06 0.19 0.37 0.11 0.00 0.00 0.00 178.15 178.77 3fg1 h LYS 1042N 0.55 0.89 -0.54 2.37 1.57 -0.89 0.10 116.57 120.62 3fg1 h LYS 1042Ca 0.15 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3fg1 h LYS 1042Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3fg1 h LYS 1042CO -0.02 0.65 0.19 1.96 -0.57 0.00 0.00 179.45 181.67 3fg1 h GLN 1043N 0.88 0.82 -0.37 3.15 4.20 -0.96 -1.96 115.11 120.87 3fg1 h GLN 1043Ca 0.23 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3fg1 h GLN 1043Cb 0.01 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3fg1 h GLN 1043CO -0.04 0.73 0.13 -0.09 -0.67 0.00 0.00 178.83 178.89 3fg1 h ARG 1044N 0.73 0.28 0.00 1.46 1.12 -0.76 -2.99 114.38 114.22 3fg1 h ARG 1044Ca 0.18 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 3fg1 h ARG 1044Cb 0.24 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 3fg1 h ARG 1044CO -0.01 0.18 -0.28 -0.91 -3.11 0.00 0.00 179.97 175.85 3fg1 h ASN 1045N 0.29 0.00 0.84 -3.80 2.35 -0.46 -2.83 115.58 111.97 3fg1 h ASN 1045Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3fg1 h ASN 1045Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3fg1 h ASN 1045CO -0.17 0.28 0.00 1.05 -1.65 0.00 0.00 177.43 176.94 3fg1 h GLU 1046N 0.00 0.00 -0.39 0.81 4.11 -1.21 -1.60 114.58 116.30 3fg1 h GLU 1046Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fg1 h GLU 1046Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3fg1 h GLU 1046CO 0.04 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.21 3fg1 n ASN 1047N -2.82 2.72 -4.83 3.06 3.02 -1.07 -4.99 115.26 110.35 3fg1 n ASN 1047Ca 0.01 -1.92 -0.31 0.00 -0.03 0.00 0.00 54.58 52.33 3fg1 n ASN 1047Cb 0.26 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 3fg1 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 1048N -1.30 4.01 0.13 3.41 1.43 -0.60 -5.01 118.68 120.75 3fg1 s LEU 1048Ca 0.36 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 3fg1 s LEU 1048Cb 0.20 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3fg1 s LEU 1048CO 0.27 0.17 1.59 -0.33 0.23 0.00 0.00 176.35 178.28 3fg1 h GLU 1049N 3.22 0.70 -3.57 1.70 5.08 -1.94 -3.38 114.58 116.39 3fg1 h GLU 1049Ca -0.46 -0.21 -0.61 0.00 -1.00 0.00 0.00 59.36 57.08 3fg1 h GLU 1049Cb 1.16 -0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 3fg1 h GLU 1049CO 0.70 0.77 -0.73 0.08 -1.00 0.00 0.00 179.01 178.82 3fg1 s VAL 1050N -5.08 1.44 0.44 3.13 1.01 -1.26 -5.12 120.40 114.96 3fg1 s VAL 1050Ca -0.13 -2.11 -0.22 0.00 0.00 0.00 0.00 61.98 59.52 3fg1 s VAL 1050Cb 0.10 -2.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.32 3fg1 s VAL 1050CO 0.79 -0.75 0.74 -2.65 0.00 0.00 0.00 175.10 173.23 3fg1 n PRO 1051N 4.17 0.85 -3.76 2.72 -0.02 -1.26 -4.97 135.00 132.73 3fg1 n PRO 1051Ca 0.03 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.45 3fg1 n PRO 1051Cb 0.39 -1.75 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 3fg1 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg1 s TYR 1052N -1.42 3.33 -0.62 6.00 5.04 -1.26 -4.96 117.35 123.47 3fg1 s TYR 1052Ca 0.65 -1.72 0.07 0.00 -2.44 0.00 0.00 57.07 53.63 3fg1 s TYR 1052Cb -0.56 -2.54 -0.01 0.00 0.35 0.00 0.00 41.96 39.20 3fg1 s TYR 1052CO 0.56 -0.81 0.50 0.44 -1.34 0.00 0.00 175.55 174.90 3fg1 n ILE 1053N 4.75 0.00 0.28 3.14 -5.35 -1.26 -4.67 119.36 116.25 3fg1 n ILE 1053Ca -0.10 -0.41 0.16 0.00 -0.27 0.00 0.00 62.75 62.12 3fg1 n ILE 1053Cb 0.43 1.07 0.76 0.00 -1.74 0.00 0.00 39.64 40.16 3fg1 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg1 h TYR 1054N 0.70 0.00 -0.46 4.28 0.99 -1.94 -2.41 116.97 118.12 3fg1 h TYR 1054Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3fg1 h TYR 1054Cb 0.24 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 37.91 3fg1 h TYR 1054CO 0.00 0.07 0.07 1.28 -0.00 0.00 0.00 178.16 179.57 3fg1 n LEU 1055N -3.27 4.85 -4.70 3.88 4.77 -1.26 -4.45 117.00 116.82 3fg1 n LEU 1055Ca -0.01 -3.16 -0.42 0.00 -0.03 0.00 0.00 56.01 52.39 3fg1 n LEU 1055Cb 0.27 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3fg1 n LEU 1055CO 0.28 0.78 1.13 -0.76 -1.33 0.00 0.00 177.39 177.48 3fg1 s LEU 1056N -2.93 4.34 0.45 2.23 1.43 -0.91 -4.90 118.68 118.39 3fg1 s LEU 1056Ca 0.48 2.23 0.26 0.00 -1.03 0.00 0.00 54.13 56.07 3fg1 s LEU 1056Cb 0.39 -3.57 1.28 0.00 0.03 0.00 0.00 46.19 44.32 3fg1 s LEU 1056CO 0.10 -0.72 1.76 -0.65 0.23 0.00 0.00 176.35 177.08 3fg1 h PRO 1057N 7.55 0.23 0.00 1.29 0.11 -1.92 0.14 132.00 139.41 3fg1 h PRO 1057Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3fg1 h PRO 1057Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fg1 h PRO 1057CO 0.89 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.98 3fg1 n GLU 1058N -4.49 0.03 0.00 1.05 0.28 -1.26 -2.42 120.64 113.82 3fg1 n GLU 1058Ca 0.27 0.19 0.04 0.00 -0.16 0.00 0.00 57.16 57.50 3fg1 n GLU 1058Cb 1.06 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.45 3fg1 n GLU 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3fg1 n ARG 1059N -1.48 0.91 -3.55 3.44 1.74 0.46 -4.91 116.66 113.27 3fg1 n ARG 1059Ca 0.05 -0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 55.88 3fg1 n ARG 1059Cb 0.20 -1.11 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3fg1 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg1 s ILE 1060N -0.87 4.82 0.51 0.55 1.01 -1.01 -4.94 121.20 121.28 3fg1 s ILE 1060Ca 0.09 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 3fg1 s ILE 1060Cb 0.07 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3fg1 s ILE 1060CO 0.14 -0.25 1.38 -2.84 0.00 0.00 0.00 174.94 173.36 3fg1 s PRO 1061N 1.60 3.32 0.42 2.79 0.02 -1.26 0.42 135.00 142.31 3fg1 s PRO 1061Ca 0.03 2.29 0.13 0.00 0.02 0.00 0.00 61.00 63.47 3fg1 s PRO 1061Cb -0.19 -2.39 0.99 0.00 0.02 0.00 0.00 34.50 32.94 3fg1 s PRO 1061CO 0.08 -1.06 1.96 -0.91 -0.33 0.00 0.00 177.00 176.74 3fg1 h ASN 1062N 1.74 0.41 -2.12 2.53 2.35 -1.42 -3.40 115.58 115.68 3fg1 h ASN 1062Ca -0.51 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3fg1 h ASN 1062Cb 1.29 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3fg1 h ASN 1062CO 0.58 0.25 0.00 0.61 -1.65 0.00 0.00 177.43 177.22 3fg1 n GLY 1063N -1.51 4.85 3.13 2.83 0.00 -1.26 -3.77 105.19 109.46 3fg1 n GLY 1063Ca 0.11 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 3fg1 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg1 s THR 1064N -0.94 3.68 0.00 2.61 2.01 -1.10 -4.61 115.64 117.29 3fg1 s THR 1064Ca 0.00 -2.43 0.00 0.00 0.31 0.00 0.00 61.69 59.57 3fg1 s THR 1064Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3fg1 s THR 1064CO 0.00 -0.80 0.60 0.00 -0.69 0.00 0.00 174.62 173.73 3fg1 n ALA 1065N 4.13 1.64 -1.78 7.40 0.00 -1.26 -1.92 120.51 128.72 3fg1 n ALA 1065Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3fg1 n ALA 1065Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3fg1 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01