#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg4 s ALA 374 N 0.00 1.24 -0.16 1.59 0.00 -0.07 -4.60 121.76 119.76 3fg4 s ALA 374 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 3fg4 s ALA 374 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3fg4 s ALA 374 CO 0.00 0.08 0.15 0.42 0.00 0.00 0.00 175.76 176.41 3fg4 s ILE 375 N -1.90 5.43 -0.17 0.00 1.01 -1.26 -2.43 121.20 121.87 3fg4 s ILE 375 Ca 0.03 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3fg4 s ILE 375 Cb -0.06 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3fg4 s ILE 375 CO 0.02 0.50 -0.18 -0.31 0.00 0.00 0.00 174.94 174.97 3fg4 s TYR 376 N -0.17 2.76 -0.22 3.97 1.51 0.58 -0.56 117.35 125.21 3fg4 s TYR 376 Ca 0.12 -1.36 -0.16 0.00 -1.01 0.00 0.00 57.07 54.66 3fg4 s TYR 376 Cb -0.12 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3fg4 s TYR 376 CO 0.01 -0.65 0.41 -0.80 -1.11 0.00 0.00 175.55 173.40 3fg4 s ASN 377 N 1.05 6.39 -0.15 2.29 0.01 0.33 -1.70 114.94 123.17 3fg4 s ASN 377 Ca -0.01 0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.62 3fg4 s ASN 377 Cb -0.14 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.29 3fg4 s ASN 377 CO -0.06 -0.13 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.52 3fg4 s VAL 378 N 1.60 2.25 -0.13 1.60 1.01 0.57 -1.49 120.40 125.81 3fg4 s VAL 378 Ca 0.18 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3fg4 s VAL 378 Cb -0.15 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3fg4 s VAL 378 CO 0.08 0.54 -0.21 -0.70 0.00 0.00 0.00 175.10 174.81 3fg4 s GLU 379 N 0.84 2.85 -0.14 2.72 2.12 -0.10 -0.41 118.70 126.59 3fg4 s GLU 379 Ca -0.06 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3fg4 s GLU 379 Cb -0.15 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 3fg4 s GLU 379 CO -0.02 0.01 -0.10 0.08 -0.54 0.00 0.00 175.26 174.69 3fg4 s VAL 380 N 0.76 3.33 -0.30 3.70 1.01 0.30 -0.26 120.40 128.95 3fg4 s VAL 380 Ca -0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3fg4 s VAL 380 Cb -0.16 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3fg4 s VAL 380 CO 0.00 0.51 0.16 -1.61 0.00 0.00 0.00 175.10 174.16 3fg4 s GLU 381 N 0.38 3.55 0.00 2.72 2.02 -0.29 -0.57 118.70 126.51 3fg4 s GLU 381 Ca -0.08 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.14 3fg4 s GLU 381 Cb -0.15 -3.57 -0.06 0.00 0.10 0.00 0.00 34.13 30.45 3fg4 s GLU 381 CO 0.05 -0.33 0.54 0.99 0.02 0.00 0.00 175.26 176.53 3fg4 s THR 382 N 1.66 4.92 0.68 3.63 2.01 -0.10 -0.61 115.64 127.84 3fg4 s THR 382 Ca 0.06 1.12 -0.17 0.00 0.31 0.00 0.00 61.69 63.01 3fg4 s THR 382 Cb -0.16 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 3fg4 s THR 382 CO 0.07 0.47 1.09 0.61 -0.69 0.00 0.00 174.62 176.17 3fg4 n GLY 383 N 2.26 -0.06 0.08 4.40 0.00 -0.08 -2.14 105.19 109.64 3fg4 n GLY 383 Ca -0.09 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3fg4 n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fg4 n ASP 384 N -1.71 0.66 -4.67 1.61 8.00 -1.26 -0.86 116.55 118.33 3fg4 n ASP 384 Ca 0.14 0.42 -0.34 0.00 0.71 0.00 0.00 54.79 55.72 3fg4 n ASP 384 Cb 0.49 -0.48 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 3fg4 n ASP 384 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3fg4 n ARG 385 N -2.09 0.36 -1.74 -1.24 1.85 -1.26 -4.62 116.66 107.92 3fg4 n ARG 385 Ca 0.05 0.19 -0.41 0.00 -1.00 0.00 0.00 57.85 56.68 3fg4 n ARG 385 Cb 0.42 -2.38 0.01 0.00 -1.05 0.00 0.00 32.46 29.46 3fg4 n ARG 385 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3fg4 n GLU 386 N -2.71 2.32 -0.98 2.89 1.02 -1.26 -2.12 120.64 119.81 3fg4 n GLU 386 Ca 0.13 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 3fg4 n GLU 386 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3fg4 n GLU 386 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fg4 n HIS 387 N 0.12 0.00 0.18 -0.32 8.25 -1.26 -4.68 115.22 117.51 3fg4 n HIS 387 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.56 3fg4 n HIS 387 Cb 0.39 -1.14 0.56 0.00 1.12 0.00 0.00 29.99 30.93 3fg4 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg4 h ALA 388 N 0.00 1.88 -2.41 -1.41 0.00 -1.71 -3.44 119.26 112.18 3fg4 h ALA 388 Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.43 3fg4 h ALA 388 Cb 0.54 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.43 3fg4 h ALA 388 CO 0.00 0.10 0.25 0.20 0.00 0.00 0.00 179.25 179.80 3fg4 s GLY 389 N -3.97 1.57 0.07 0.00 0.00 -1.26 -0.72 107.32 103.01 3fg4 s GLY 389 Ca -0.06 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 3fg4 s GLY 389 CO 0.69 0.09 0.21 -1.08 0.00 0.00 0.00 173.10 173.01 3fg4 s THR 390 N -3.17 0.12 -0.13 0.90 -1.32 -0.40 -4.48 115.64 107.17 3fg4 s THR 390 Ca 0.65 -1.01 0.13 0.00 -1.21 0.00 0.00 61.69 60.25 3fg4 s THR 390 Cb -0.16 -1.15 0.23 0.00 -1.51 0.00 0.00 72.50 69.91 3fg4 s THR 390 CO 0.55 -0.56 1.13 -0.90 -2.21 0.00 0.00 174.62 172.64 3fg4 n ASP 391 N 0.24 2.40 -4.67 8.08 5.75 -1.26 -3.99 116.55 123.10 3fg4 n ASP 391 Ca -0.17 -2.73 -0.32 0.00 -0.01 0.00 0.00 54.79 51.56 3fg4 n ASP 391 Cb 0.61 -0.31 0.15 0.00 -1.03 0.00 0.00 41.12 40.54 3fg4 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg4 n ALA 392 N -1.03 -0.61 -2.53 2.12 0.00 -1.26 -4.80 120.51 112.40 3fg4 n ALA 392 Ca 0.12 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3fg4 n ALA 392 Cb 0.54 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 3fg4 n ALA 392 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fg4 s THR 393 N -2.45 4.73 -0.07 0.00 2.01 -1.26 -4.91 115.64 113.69 3fg4 s THR 393 Ca 0.69 2.01 0.05 0.00 0.31 0.00 0.00 61.69 64.75 3fg4 s THR 393 Cb -0.25 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 67.95 3fg4 s THR 393 CO 0.56 0.23 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.85 3fg4 s ILE 394 N 0.56 2.15 0.26 1.82 -1.09 -1.26 -1.78 121.20 121.86 3fg4 s ILE 394 Ca 0.49 -1.02 0.05 0.00 -2.23 0.00 0.00 60.65 57.93 3fg4 s ILE 394 Cb -0.22 -1.79 -0.06 0.00 -1.58 0.00 0.00 42.46 38.81 3fg4 s ILE 394 CO 0.28 0.57 -0.03 0.42 -1.23 0.00 0.00 174.94 174.95 3fg4 s THR 395 N -0.05 1.33 -0.02 2.92 -4.23 0.57 -1.17 115.64 114.99 3fg4 s THR 395 Ca -0.07 -2.07 -0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3fg4 s THR 395 Cb -0.15 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3fg4 s THR 395 CO 0.05 -0.29 0.03 -0.51 -0.54 0.00 0.00 174.62 173.36 3fg4 s ILE 396 N -3.22 -0.05 -0.15 2.99 2.07 0.35 -0.79 121.20 122.42 3fg4 s ILE 396 Ca 0.29 0.24 -0.05 0.00 -1.41 0.00 0.00 60.65 59.72 3fg4 s ILE 396 Cb 0.05 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.50 3fg4 s ILE 396 CO 0.11 0.11 0.04 -0.60 -1.91 0.00 0.00 174.94 172.68 3fg4 s ARG 397 N 1.25 3.62 -0.21 3.50 3.52 0.81 -0.54 118.95 130.90 3fg4 s ARG 397 Ca -0.07 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 3fg4 s ARG 397 Cb -0.13 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 3fg4 s ARG 397 CO -0.03 0.42 -0.05 0.42 -0.81 0.00 0.00 175.30 175.25 3fg4 s ILE 398 N -0.08 3.32 -0.09 4.11 1.01 -1.26 -0.59 121.20 127.61 3fg4 s ILE 398 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3fg4 s ILE 398 Cb -0.12 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3fg4 s ILE 398 CO 0.01 0.44 -0.02 -0.89 0.00 0.00 0.00 174.94 174.48 3fg4 s THR 399 N 1.37 4.14 0.00 2.92 2.01 -0.48 -1.24 115.64 124.37 3fg4 s THR 399 Ca 0.05 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.74 3fg4 s THR 399 Cb -0.14 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.63 3fg4 s THR 399 CO -0.03 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3fg4 n GLY 400 N 2.31 3.45 0.29 4.40 0.00 -0.68 0.22 105.19 115.18 3fg4 n GLY 400 Ca -0.18 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.49 3fg4 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 401 N 1.31 2.10 0.00 4.61 0.00 -0.68 -2.82 119.26 123.78 3fg4 h ALA 401 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fg4 h ALA 401 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fg4 h ALA 401 CO 0.00 -0.15 -0.86 1.63 0.00 0.00 0.00 179.25 179.88 3fg4 n LYS 402 N -4.50 0.25 -1.88 0.00 5.02 0.01 -5.03 118.16 112.05 3fg4 n LYS 402 Ca 0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3fg4 n LYS 402 Cb 0.22 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3fg4 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg4 n GLY 403 N 1.38 0.09 3.13 0.72 0.00 -1.07 -4.96 105.19 104.48 3fg4 n GLY 403 Ca 0.03 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 3fg4 n GLY 403 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fg4 s ARG 404 N -2.00 0.61 0.85 1.61 1.70 -1.26 -1.69 118.95 118.76 3fg4 s ARG 404 Ca 0.00 -0.67 -0.12 0.00 -0.47 0.00 0.00 55.73 54.47 3fg4 s ARG 404 Cb 0.00 0.24 0.10 0.00 -0.57 0.00 0.00 34.95 34.73 3fg4 s ARG 404 CO 0.00 -0.16 1.15 0.95 -1.08 0.00 0.00 175.30 176.16 3fg4 s THR 405 N -2.42 2.20 1.21 4.99 -4.23 -0.37 -4.83 115.64 112.19 3fg4 s THR 405 Ca -0.06 0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 3fg4 s THR 405 Cb -0.02 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.20 3fg4 s THR 405 CO -0.03 -0.09 1.15 -0.62 -0.54 0.00 0.00 174.62 174.49 3fg4 s ASP 406 N -4.22 0.89 -0.06 3.99 2.15 -1.26 -4.55 116.67 113.61 3fg4 s ASP 406 Ca 0.62 0.47 -0.30 0.00 0.43 0.00 0.00 52.55 53.78 3fg4 s ASP 406 Cb -0.13 -0.59 -0.06 0.00 -0.30 0.00 0.00 42.92 41.84 3fg4 s ASP 406 CO 0.52 -4.13 1.71 -0.31 -0.17 0.00 0.00 175.17 172.79 3fg4 s TYR 407 N -3.15 1.86 -0.05 -5.34 1.51 -1.26 -4.32 117.35 106.60 3fg4 s TYR 407 Ca 0.73 0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 56.89 3fg4 s TYR 407 Cb -0.07 -3.97 -0.04 0.00 -0.11 0.00 0.00 41.96 37.77 3fg4 s TYR 407 CO 0.55 -4.05 0.09 -0.51 -1.11 0.00 0.00 175.55 170.52 3fg4 s LEU 408 N 4.27 4.00 0.08 -1.29 1.43 0.30 -4.80 118.68 122.67 3fg4 s LEU 408 Ca 0.76 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.81 3fg4 s LEU 408 Cb -0.34 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3fg4 s LEU 408 CO 0.31 0.33 1.00 -1.59 0.23 0.00 0.00 176.35 176.63 3fg4 s LYS 409 N -1.39 4.63 -0.63 1.70 0.00 -1.26 -0.49 119.74 122.30 3fg4 s LYS 409 Ca 0.19 1.50 -0.07 0.00 0.00 0.00 0.00 55.97 57.59 3fg4 s LYS 409 Cb -0.12 -3.39 0.16 0.00 0.00 0.00 0.00 37.83 34.49 3fg4 s LYS 409 CO 0.09 0.09 0.49 -0.51 0.00 0.00 0.00 175.35 175.51 3fg4 s LEU 410 N 0.33 5.72 -0.18 2.77 1.43 -0.32 -4.92 118.68 123.51 3fg4 s LEU 410 Ca 0.50 -2.56 -0.00 0.00 -1.03 0.00 0.00 54.13 51.04 3fg4 s LEU 410 Cb -0.24 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 43.89 3fg4 s LEU 410 CO 0.30 -0.50 -0.17 0.47 0.23 0.00 0.00 176.35 176.67 3fg4 n ASP 411 N 3.99 2.43 -4.69 2.29 9.92 -1.26 -4.44 116.55 124.79 3fg4 n ASP 411 Ca 0.05 -0.06 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 3fg4 n ASP 411 Cb 0.41 -0.32 -0.09 0.00 -0.64 0.00 0.00 41.12 40.48 3fg4 n ASP 411 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3fg4 s LYS 412 N -2.36 3.77 0.00 -1.24 0.00 -1.26 -4.98 119.74 113.67 3fg4 s LYS 412 Ca -0.25 -0.30 0.00 0.00 0.00 0.00 0.00 55.97 55.42 3fg4 s LYS 412 Cb 0.07 -3.17 0.00 0.00 0.00 0.00 0.00 37.83 34.73 3fg4 s LYS 412 CO 0.41 0.42 0.00 0.41 0.00 0.00 0.00 175.35 176.59 3fg4 n GLY 413 N 3.07 -0.35 3.94 0.59 0.00 -1.26 -5.02 105.19 106.16 3fg4 n GLY 413 Ca -0.17 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3fg4 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 414 N -1.67 6.22 -0.97 1.61 1.04 -1.26 -5.05 113.70 113.61 3fg4 s SER 414 Ca 0.00 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 3fg4 s SER 414 Cb 0.00 -1.96 0.24 0.00 0.10 0.00 0.00 66.02 64.40 3fg4 s SER 414 CO 0.00 -0.38 0.91 0.49 0.98 0.00 0.00 173.24 175.24 3fg4 n PHE 418 N -1.87 4.45 -3.16 5.02 0.99 -1.26 -4.97 117.46 116.68 3fg4 n PHE 418 Ca -0.03 -4.01 -0.31 0.00 -0.00 0.00 0.00 57.45 53.10 3fg4 n PHE 418 Cb 0.56 -1.30 -0.04 0.00 -1.00 0.00 0.00 39.48 37.70 3fg4 n PHE 418 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3fg4 s GLU 419 N -1.45 3.82 0.18 -1.08 0.41 -1.26 -1.28 118.70 118.04 3fg4 s GLU 419 Ca 0.29 0.39 -0.32 0.00 -0.41 0.00 0.00 54.97 54.92 3fg4 s GLU 419 Cb -0.07 -2.51 -0.16 0.00 -1.78 0.00 0.00 34.13 29.61 3fg4 s GLU 419 CO -0.10 0.15 1.05 0.00 -0.49 0.00 0.00 175.26 175.87 3fg4 n ALA 420 N -0.70 -1.16 -0.84 5.21 0.00 -1.26 -1.64 120.51 120.12 3fg4 n ALA 420 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3fg4 n ALA 420 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3fg4 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg4 n GLY 421 N 1.85 0.68 3.81 0.00 0.00 -0.04 -4.84 105.19 106.65 3fg4 n GLY 421 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3fg4 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 422 N -2.68 6.59 -0.32 1.61 1.04 -0.65 -4.80 113.70 114.48 3fg4 s SER 422 Ca 0.00 1.82 0.03 0.00 0.48 0.00 0.00 55.95 58.28 3fg4 s SER 422 Cb 0.00 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.66 3fg4 s SER 422 CO 0.00 -0.61 0.03 -0.54 0.98 0.00 0.00 173.24 173.10 3fg4 s LYS 423 N -3.26 1.49 -0.01 4.02 1.02 -1.26 -0.92 119.74 120.83 3fg4 s LYS 423 Ca 0.65 -1.71 0.02 0.00 0.02 0.00 0.00 55.97 54.95 3fg4 s LYS 423 Cb -0.13 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 3fg4 s LYS 423 CO 0.18 -0.89 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.46 3fg4 s GLU 424 N 1.01 2.64 -0.05 1.68 0.41 0.26 -4.93 118.70 119.72 3fg4 s GLU 424 Ca 0.08 -0.67 0.04 0.00 -0.41 0.00 0.00 54.97 54.02 3fg4 s GLU 424 Cb -0.19 -2.56 -0.02 0.00 -1.78 0.00 0.00 34.13 29.58 3fg4 s GLU 424 CO -0.09 0.62 -0.17 -0.65 -0.49 0.00 0.00 175.26 174.47 3fg4 s GLN 425 N -1.38 2.50 0.01 1.61 -0.21 -1.26 -0.54 119.66 120.39 3fg4 s GLN 425 Ca 0.17 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.80 3fg4 s GLN 425 Cb -0.11 -2.32 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 3fg4 s GLN 425 CO 0.07 0.56 -0.02 0.71 -2.12 0.00 0.00 175.29 174.49 3fg4 s TYR 426 N -0.57 0.18 -0.26 0.91 1.51 0.45 -5.00 117.35 114.57 3fg4 s TYR 426 Ca 0.08 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3fg4 s TYR 426 Cb -0.11 -0.12 0.07 0.00 -0.11 0.00 0.00 41.96 41.68 3fg4 s TYR 426 CO 0.01 -0.09 -0.05 0.99 -1.11 0.00 0.00 175.55 175.30 3fg4 s THR 427 N -0.74 1.76 0.25 -0.71 2.01 -1.26 -0.31 115.64 116.64 3fg4 s THR 427 Ca -0.08 -1.48 0.11 0.00 0.31 0.00 0.00 61.69 60.56 3fg4 s THR 427 Cb -0.05 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3fg4 s THR 427 CO -0.00 -0.17 -0.14 0.68 -0.69 0.00 0.00 174.62 174.29 3fg4 s VAL 428 N 1.27 2.79 0.03 3.82 -7.23 -0.69 -4.97 120.40 115.42 3fg4 s VAL 428 Ca -0.04 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.07 3fg4 s VAL 428 Cb -0.19 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3fg4 s VAL 428 CO -0.07 -0.31 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.64 3fg4 s GLN 429 N -3.31 1.38 0.04 4.82 0.74 -1.26 -0.31 119.66 121.76 3fg4 s GLN 429 Ca 0.28 -0.85 -0.25 0.00 0.05 0.00 0.00 55.36 54.59 3fg4 s GLN 429 Cb -0.06 -1.44 0.08 0.00 1.10 0.00 0.00 33.01 32.69 3fg4 s GLN 429 CO 0.15 0.38 1.15 0.41 -0.55 0.00 0.00 175.29 176.82 3fg4 n GLY 430 N 2.07 0.36 3.46 2.59 0.00 -1.02 -5.02 105.19 107.63 3fg4 n GLY 430 Ca -0.17 -1.07 -0.45 0.00 0.00 0.00 0.00 46.02 44.34 3fg4 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fg4 n PHE 431 N -0.82 -0.10 -2.72 1.61 -0.00 -1.26 -0.89 117.46 113.28 3fg4 n PHE 431 Ca 0.02 0.76 -0.43 0.00 -0.00 0.00 0.00 57.45 57.81 3fg4 n PHE 431 Cb 0.55 -2.04 -0.03 0.00 -0.00 0.00 0.00 39.48 37.96 3fg4 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg4 s ASP 432 N -0.85 6.43 0.00 -2.13 2.15 -1.26 -4.39 116.67 116.61 3fg4 s ASP 432 Ca 0.62 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.81 3fg4 s ASP 432 Cb -0.75 -2.49 1.39 0.00 -0.30 0.00 0.00 42.92 40.77 3fg4 s ASP 432 CO 0.58 -1.30 1.91 1.33 -0.17 0.00 0.00 175.17 177.52 3fg4 n VAL 433 N 6.46 0.03 -2.91 1.11 0.24 -1.26 -4.76 118.33 117.23 3fg4 n VAL 433 Ca 0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3fg4 n VAL 433 Cb 0.48 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3fg4 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg4 n GLY 434 N 0.98 1.30 3.64 7.63 0.00 -1.26 -0.81 105.19 116.67 3fg4 n GLY 434 Ca 0.19 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3fg4 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg4 s ASP 435 N -4.00 6.63 0.09 1.61 2.15 -1.26 -4.80 116.67 117.08 3fg4 s ASP 435 Ca 0.00 1.62 -0.31 0.00 0.43 0.00 0.00 52.55 54.29 3fg4 s ASP 435 Cb 0.00 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 3fg4 s ASP 435 CO 0.00 -1.05 1.63 -0.63 -0.17 0.00 0.00 175.17 174.95 3fg4 s ILE 436 N 4.43 2.94 -0.10 4.11 1.01 -1.26 -1.95 121.20 130.39 3fg4 s ILE 436 Ca 0.64 0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.86 3fg4 s ILE 436 Cb -0.23 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 38.80 3fg4 s ILE 436 CO 0.24 0.01 0.03 0.00 0.00 0.00 0.00 174.94 175.22 3fg4 n GLN 437 N 5.20 2.30 -3.73 2.79 6.02 0.13 -4.90 117.38 125.19 3fg4 n GLN 437 Ca 0.15 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.09 3fg4 n GLN 437 Cb 0.40 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 3fg4 n GLN 437 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3fg4 s LEU 438 N -4.76 -0.22 0.09 1.08 0.05 -0.96 -4.36 118.68 109.59 3fg4 s LEU 438 Ca -0.05 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 53.75 3fg4 s LEU 438 Cb 0.03 2.25 -0.04 0.00 -2.05 0.00 0.00 46.19 46.38 3fg4 s LEU 438 CO 0.42 -0.95 -0.02 0.27 -0.55 0.00 0.00 176.35 175.52 3fg4 s ILE 439 N -3.38 0.40 -0.05 1.48 -4.36 -0.66 -1.38 121.20 113.25 3fg4 s ILE 439 Ca 0.11 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3fg4 s ILE 439 Cb -0.02 -1.72 0.03 0.00 1.25 0.00 0.00 42.46 42.00 3fg4 s ILE 439 CO 0.01 -0.82 -0.02 -1.61 0.24 0.00 0.00 174.94 172.75 3fg4 s GLU 440 N -3.91 0.63 -0.12 0.37 2.02 0.24 -1.44 118.70 116.49 3fg4 s GLU 440 Ca 0.13 0.02 -0.07 0.00 0.02 0.00 0.00 54.97 55.06 3fg4 s GLU 440 Cb 0.07 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 3fg4 s GLU 440 CO -0.05 -0.18 0.15 -0.51 0.02 0.00 0.00 175.26 174.69 3fg4 s LEU 441 N 1.35 4.39 -0.03 1.80 1.43 -0.23 -0.14 118.68 127.26 3fg4 s LEU 441 Ca -0.05 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 3fg4 s LEU 441 Cb -0.13 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3fg4 s LEU 441 CO -0.02 0.40 -0.16 -2.28 0.23 0.00 0.00 176.35 174.52 3fg4 s HIS 442 N -1.00 1.51 -0.09 0.29 2.46 0.03 -1.57 115.29 116.92 3fg4 s HIS 442 Ca 0.15 -0.37 0.03 0.00 0.47 0.00 0.00 55.06 55.34 3fg4 s HIS 442 Cb -0.12 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.31 3fg4 s HIS 442 CO 0.04 -0.10 -0.20 0.45 -2.47 0.00 0.00 174.74 172.46 3fg4 s SER 443 N -0.11 3.43 0.00 9.88 0.15 0.33 -0.31 113.70 127.08 3fg4 s SER 443 Ca 0.00 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 56.36 3fg4 s SER 443 Cb -0.09 -1.25 0.93 0.00 -1.71 0.00 0.00 66.02 63.90 3fg4 s SER 443 CO 0.01 0.20 1.41 -0.90 1.20 0.00 0.00 173.24 175.16 3fg4 n ASP 444 N 3.24 0.00 -0.82 5.45 5.75 -0.73 -4.61 116.55 124.82 3fg4 n ASP 444 Ca -0.18 -0.94 -0.10 0.00 -0.01 0.00 0.00 54.79 53.57 3fg4 n ASP 444 Cb 0.53 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 3fg4 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg4 n GLY 445 N 0.35 0.88 0.23 6.12 0.00 -1.26 -4.87 105.19 106.64 3fg4 n GLY 445 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.60 3fg4 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 446 N -1.62 -1.42 0.00 -0.02 0.00 -1.26 -4.81 105.19 96.05 3fg4 n GLY 446 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3fg4 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 447 N -1.60 4.86 0.31 -0.02 0.00 -1.26 -4.94 105.19 102.54 3fg4 n GLY 447 Ca 0.00 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.96 3fg4 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg4 h TYR 448 N 0.62 0.79 -0.01 1.61 5.03 -2.03 -2.46 116.97 120.52 3fg4 h TYR 448 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3fg4 h TYR 448 Cb 0.00 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.06 3fg4 h TYR 448 CO 0.00 0.15 -0.20 0.91 -1.32 0.00 0.00 178.16 177.70 3fg4 n TRP 449 N -4.89 0.00 -2.08 -3.82 7.02 -1.26 -4.95 117.44 107.47 3fg4 n TRP 449 Ca 0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.24 3fg4 n TRP 449 Cb 0.49 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.24 3fg4 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg4 s SER 450 N -2.43 6.72 -0.02 -0.99 0.01 -0.93 -4.91 113.70 111.15 3fg4 s SER 450 Ca 0.27 2.15 -0.23 0.00 1.31 0.00 0.00 55.95 59.45 3fg4 s SER 450 Cb 0.20 -2.54 -0.20 0.00 0.21 0.00 0.00 66.02 63.69 3fg4 s SER 450 CO 0.49 -0.89 1.15 1.23 0.41 0.00 0.00 173.24 175.63 3fg4 h GLY 451 N 10.04 0.26 -5.90 3.44 0.00 -1.92 -3.43 103.07 105.56 3fg4 h GLY 451 Ca -0.37 -0.37 -0.39 0.00 0.00 0.00 0.00 47.33 46.20 3fg4 h GLY 451 CO 0.95 0.33 -0.75 -0.35 0.00 0.00 0.00 176.54 176.72 3fg4 s ASP 452 N -6.25 0.36 0.46 0.19 2.15 -1.26 -5.03 116.67 107.29 3fg4 s ASP 452 Ca -0.15 -2.30 0.18 0.00 0.43 0.00 0.00 52.55 50.72 3fg4 s ASP 452 Cb 0.02 0.58 1.11 0.00 -0.30 0.00 0.00 42.92 44.34 3fg4 s ASP 452 CO 0.75 -0.15 2.00 1.55 -0.17 0.00 0.00 175.17 179.15 3fg4 h PRO 453 N 5.73 0.00 -6.60 4.34 0.13 -1.87 -3.43 132.00 130.30 3fg4 h PRO 453 Ca 0.15 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.69 3fg4 h PRO 453 Cb 1.01 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.24 3fg4 h PRO 453 CO 0.21 0.19 0.36 -0.25 -0.23 0.00 0.00 178.00 178.27 3fg4 n ASP 454 N -4.09 2.10 -3.79 1.44 10.43 -1.26 -4.64 116.55 116.74 3fg4 n ASP 454 Ca -0.02 1.19 -0.24 0.00 2.57 0.00 0.00 54.79 58.28 3fg4 n ASP 454 Cb 0.26 -1.38 -0.17 0.00 1.84 0.00 0.00 41.12 41.66 3fg4 n ASP 454 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fg4 s TRP 455 N -0.90 0.83 -0.43 1.24 -0.00 -0.90 -4.57 118.94 114.19 3fg4 s TRP 455 Ca 0.59 -0.31 -0.20 0.00 -0.00 0.00 0.00 56.10 56.18 3fg4 s TRP 455 Cb -0.65 -0.89 0.02 0.00 -0.00 0.00 0.00 33.47 31.96 3fg4 s TRP 455 CO 0.59 -0.38 0.61 0.12 -0.00 0.00 0.00 176.95 177.90 3fg4 s PHE 456 N 1.92 3.08 -0.26 5.86 5.36 0.10 0.33 117.98 134.38 3fg4 s PHE 456 Ca 0.05 -0.10 -0.11 0.00 -0.96 0.00 0.00 56.93 55.81 3fg4 s PHE 456 Cb -0.13 -3.28 -0.05 0.00 -0.34 0.00 0.00 43.02 39.23 3fg4 s PHE 456 CO -0.06 -0.84 0.17 0.08 -1.46 0.00 0.00 175.22 173.11 3fg4 s VAL 457 N 2.72 5.29 -0.00 3.12 1.01 -1.15 -0.90 120.40 130.49 3fg4 s VAL 457 Ca 0.21 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 3fg4 s VAL 457 Cb -0.15 -3.49 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 3fg4 s VAL 457 CO 0.18 0.30 1.07 0.78 0.00 0.00 0.00 175.10 177.44 3fg4 h ASN 458 N 7.91 -0.47 -5.00 3.32 -0.26 -1.16 0.12 115.58 120.03 3fg4 h ASN 458 Ca -0.37 -0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.21 3fg4 h ASN 458 Cb 1.18 0.12 -0.18 0.00 -1.06 0.00 0.00 38.32 38.39 3fg4 h ASN 458 CO 0.61 -0.08 0.15 -0.60 -1.06 0.00 0.00 177.43 176.45 3fg4 s ARG 459 N -4.33 1.07 -0.03 0.81 3.52 -1.17 -0.06 118.95 118.75 3fg4 s ARG 459 Ca -0.13 0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.57 3fg4 s ARG 459 Cb 0.02 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 3fg4 s ARG 459 CO 0.46 -0.37 -0.19 0.08 -0.81 0.00 0.00 175.30 174.47 3fg4 s VAL 460 N -1.79 1.54 -0.05 7.11 1.01 -0.74 -1.14 120.40 126.34 3fg4 s VAL 460 Ca -0.08 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3fg4 s VAL 460 Cb -0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3fg4 s VAL 460 CO 0.04 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 174.73 3fg4 s ILE 461 N -0.23 1.77 -0.02 2.22 1.09 0.64 -0.69 121.20 125.98 3fg4 s ILE 461 Ca 0.02 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 3fg4 s ILE 461 Cb -0.10 -1.50 -0.00 0.00 -1.06 0.00 0.00 42.46 39.80 3fg4 s ILE 461 CO 0.01 0.50 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.62 3fg4 s ILE 462 N -0.15 0.79 -0.12 2.92 1.01 0.41 -0.92 121.20 125.14 3fg4 s ILE 462 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3fg4 s ILE 462 Cb -0.12 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3fg4 s ILE 462 CO 0.02 0.24 -0.23 -0.63 0.00 0.00 0.00 174.94 174.34 3fg4 s ILE 463 N 0.07 2.06 -0.12 2.92 1.01 -0.56 -0.84 121.20 125.73 3fg4 s ILE 463 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 3fg4 s ILE 463 Cb -0.07 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3fg4 s ILE 463 CO 0.00 0.56 0.21 -0.55 0.00 0.00 0.00 174.94 175.15 3fg4 s SER 464 N 0.55 6.43 0.00 3.58 0.15 -1.26 -0.51 113.70 122.64 3fg4 s SER 464 Ca -0.14 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.07 3fg4 s SER 464 Cb -0.17 -2.12 0.21 0.00 -1.71 0.00 0.00 66.02 62.22 3fg4 s SER 464 CO 0.04 0.30 1.12 -1.54 1.20 0.00 0.00 173.24 174.36 3fg4 n SER 465 N 2.54 0.00 -0.06 5.45 3.41 0.27 -1.98 113.62 123.26 3fg4 n SER 465 Ca -0.17 0.46 0.05 0.00 -0.26 0.00 0.00 58.87 58.95 3fg4 n SER 465 Cb 0.53 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3fg4 n SER 465 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3fg4 n THR 466 N -1.47 0.00 -5.04 6.66 -2.24 -1.26 -4.95 114.28 105.98 3fg4 n THR 466 Ca 0.01 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 3fg4 n THR 466 Cb 0.05 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 3fg4 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg4 s GLN 467 N -1.75 2.62 -1.16 -0.78 -1.52 -0.84 -5.04 119.66 111.19 3fg4 s GLN 467 Ca 0.05 -0.79 -0.09 0.00 -1.95 0.00 0.00 55.36 52.57 3fg4 s GLN 467 Cb 0.07 -2.31 0.24 0.00 -0.22 0.00 0.00 33.01 30.79 3fg4 s GLN 467 CO 0.35 0.47 1.39 -3.47 -0.25 0.00 0.00 175.29 173.79 3fg4 n ASP 468 N 2.73 5.56 0.00 5.90 2.03 -1.26 -4.54 116.55 126.97 3fg4 n ASP 468 Ca -0.17 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.03 3fg4 n ASP 468 Cb 0.52 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 3fg4 n ASP 468 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3fg4 n ARG 469 N 3.42 -0.30 -4.23 -0.67 1.85 -1.26 -5.15 116.66 110.33 3fg4 n ARG 469 Ca 0.30 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.82 3fg4 n ARG 469 Cb 0.38 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.64 3fg4 n ARG 469 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3fg4 s VAL 470 N -2.00 2.62 -0.19 8.89 1.01 -1.26 -4.55 120.40 124.92 3fg4 s VAL 470 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3fg4 s VAL 470 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3fg4 s VAL 470 CO 0.00 0.50 0.14 -0.31 0.00 0.00 0.00 175.10 175.43 3fg4 s TYR 471 N 1.16 3.44 -0.11 5.22 1.51 -0.02 -4.96 117.35 123.58 3fg4 s TYR 471 Ca 0.01 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.45 3fg4 s TYR 471 Cb -0.14 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.59 3fg4 s TYR 471 CO -0.06 0.35 -0.11 0.45 -1.11 0.00 0.00 175.55 175.08 3fg4 s SER 472 N 0.16 2.25 -0.49 2.29 0.15 -1.26 -0.44 113.70 116.35 3fg4 s SER 472 Ca 0.10 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3fg4 s SER 472 Cb -0.11 -0.94 0.13 0.00 -1.71 0.00 0.00 66.02 63.39 3fg4 s SER 472 CO -0.01 -0.06 0.24 -0.36 1.20 0.00 0.00 173.24 174.25 3fg4 s PHE 473 N 1.40 3.41 0.40 3.44 0.40 0.13 -1.56 117.98 125.60 3fg4 s PHE 473 Ca 0.00 -2.97 -0.26 0.00 -0.60 0.00 0.00 56.93 53.11 3fg4 s PHE 473 Cb -0.13 -2.97 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 3fg4 s PHE 473 CO -0.06 -0.83 1.27 -1.25 0.70 0.00 0.00 175.22 175.05 3fg4 s PRO 474 N 0.18 4.01 0.00 0.24 0.04 -1.26 -1.79 135.00 136.41 3fg4 s PRO 474 Ca 0.15 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3fg4 s PRO 474 Cb -0.23 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.56 3fg4 s PRO 474 CO -0.03 -0.44 0.00 0.00 0.04 0.00 0.00 177.00 176.57 3fg4 n PHE 476 N -2.10 -1.68 -3.76 0.00 3.01 0.41 -4.92 117.46 108.42 3fg4 n PHE 476 Ca 0.00 0.76 -0.10 0.00 1.01 0.00 0.00 57.45 59.12 3fg4 n PHE 476 Cb 0.00 -3.77 -0.06 0.00 -0.01 0.00 0.00 39.48 35.63 3fg4 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg4 s ARG 477 N -6.52 0.90 0.08 -1.08 0.52 -1.20 -5.01 118.95 106.64 3fg4 s ARG 477 Ca 0.04 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 3fg4 s ARG 477 Cb -0.02 0.38 -0.07 0.00 0.52 0.00 0.00 34.95 35.76 3fg4 s ARG 477 CO 0.88 -0.31 1.32 -1.58 0.02 0.00 0.00 175.30 175.63 3fg4 s TRP 478 N -3.44 3.28 -0.30 -0.53 0.52 -1.26 -2.93 118.94 114.28 3fg4 s TRP 478 Ca 0.01 1.07 -0.16 0.00 0.02 0.00 0.00 56.10 57.04 3fg4 s TRP 478 Cb 0.02 -3.58 -0.02 0.00 -1.15 0.00 0.00 33.47 28.73 3fg4 s TRP 478 CO -0.09 -1.98 0.43 0.08 0.02 0.00 0.00 176.95 175.41 3fg4 s VAL 479 N 1.20 5.12 0.00 4.03 1.01 0.15 -4.94 120.40 126.97 3fg4 s VAL 479 Ca 0.62 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3fg4 s VAL 479 Cb -0.34 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3fg4 s VAL 479 CO 0.29 0.02 0.00 -0.38 0.00 0.00 0.00 175.10 175.03 3fg4 n ILE 480 N 5.22 0.00 0.00 2.22 2.08 -1.26 -2.13 119.36 125.49 3fg4 n ILE 480 Ca -0.07 0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.74 3fg4 n ILE 480 Cb 0.50 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 3fg4 n ILE 480 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3fg4 n LYS 481 N -2.44 0.00 -4.38 0.38 0.00 -1.26 -4.55 118.16 105.91 3fg4 n LYS 481 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 3fg4 n LYS 481 Cb 0.00 -0.43 -0.14 0.00 -0.00 0.00 0.00 35.03 34.46 3fg4 n LYS 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fg4 s ASP 482 N -4.86 1.16 -0.10 -5.58 1.11 -1.26 -0.51 116.67 106.63 3fg4 s ASP 482 Ca 0.00 -0.22 -0.04 0.00 0.18 0.00 0.00 52.55 52.47 3fg4 s ASP 482 Cb 0.00 -0.12 0.05 0.00 1.07 0.00 0.00 42.92 43.93 3fg4 s ASP 482 CO 0.00 0.09 0.21 -0.32 1.18 0.00 0.00 175.17 176.33 3fg4 s MET 483 N -0.37 0.10 -0.09 8.23 1.75 -0.61 -4.99 119.30 123.32 3fg4 s MET 483 Ca 0.03 0.61 -0.14 0.00 -1.25 0.00 0.00 55.69 54.94 3fg4 s MET 483 Cb -0.04 -0.16 -0.05 0.00 2.84 0.00 0.00 34.83 37.42 3fg4 s MET 483 CO -0.00 -0.27 0.35 0.08 -0.65 0.00 0.00 175.02 174.53 3fg4 s VAL 484 N 2.14 5.21 0.02 10.11 1.01 -1.26 -1.06 120.40 136.55 3fg4 s VAL 484 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3fg4 s VAL 484 Cb -0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3fg4 s VAL 484 CO -0.07 0.47 -0.11 -0.76 0.00 0.00 0.00 175.10 174.63 3fg4 s LEU 485 N -0.21 2.11 0.06 3.92 1.43 -0.52 -5.01 118.68 120.45 3fg4 s LEU 485 Ca 0.21 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3fg4 s LEU 485 Cb -0.15 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3fg4 s LEU 485 CO 0.08 0.04 -0.00 -0.36 0.23 0.00 0.00 176.35 176.34 3fg4 s PHE 486 N -0.61 3.01 0.45 0.29 0.40 -1.26 -1.66 117.98 118.60 3fg4 s PHE 486 Ca 0.01 0.00 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 3fg4 s PHE 486 Cb -0.06 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 3fg4 s PHE 486 CO 0.00 0.47 0.77 -1.25 0.70 0.00 0.00 175.22 175.91 3fg4 s PRO 487 N -2.04 3.62 2.56 0.24 0.04 -1.26 -4.32 135.00 133.84 3fg4 s PRO 487 Ca 0.23 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3fg4 s PRO 487 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3fg4 s PRO 487 CO 0.15 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.47 3fg4 n GLY 488 N -1.89 -0.89 3.85 0.56 0.00 -0.60 -4.96 105.19 101.26 3fg4 n GLY 488 Ca 0.01 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3fg4 n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg4 s GLU 489 N 0.00 3.61 0.58 1.61 8.01 -1.26 -4.71 118.70 126.55 3fg4 s GLU 489 Ca 0.00 0.90 -0.20 0.00 0.01 0.00 0.00 54.97 55.69 3fg4 s GLU 489 Cb 0.00 -2.08 -0.05 0.00 -4.31 0.00 0.00 34.13 27.69 3fg4 s GLU 489 CO 0.00 -0.55 1.11 0.00 0.01 0.00 0.00 175.26 175.83 3fg4 n ALA 490 N -2.28 0.64 -2.28 5.21 0.00 -1.26 -5.02 120.51 115.52 3fg4 n ALA 490 Ca 0.07 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 3fg4 n ALA 490 Cb 0.54 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 3fg4 n ALA 490 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 491 N -1.42 0.83 0.43 0.00 -4.23 -0.28 -4.82 115.64 106.15 3fg4 s THR 491 Ca 0.75 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 3fg4 s THR 491 Cb -0.42 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 3fg4 s THR 491 CO 0.47 -0.77 0.74 -0.76 -0.54 0.00 0.00 174.62 173.76 3fg4 s LEU 492 N -2.90 3.76 0.55 4.79 1.43 -1.26 -4.05 118.68 121.00 3fg4 s LEU 492 Ca 0.11 0.92 0.25 0.00 -1.03 0.00 0.00 54.13 54.38 3fg4 s LEU 492 Cb 0.03 -3.83 1.58 0.00 0.03 0.00 0.00 46.19 44.00 3fg4 s LEU 492 CO -0.03 -0.46 2.18 1.55 0.23 0.00 0.00 176.35 179.82 3fg4 h PRO 493 N 0.70 0.00 -0.01 1.29 0.13 -1.97 -1.28 132.00 130.86 3fg4 h PRO 493 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3fg4 h PRO 493 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3fg4 h PRO 493 CO 0.63 0.04 -0.21 1.97 -0.23 0.00 0.00 178.00 180.19 3fg4 n PHE 494 N -3.99 0.00 -1.95 1.56 1.16 -1.26 -4.90 117.46 108.08 3fg4 n PHE 494 Ca -0.03 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.19 3fg4 n PHE 494 Cb 0.12 -0.09 0.04 0.00 -1.61 0.00 0.00 39.48 37.94 3fg4 n PHE 494 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3fg4 s ASN 495 N -2.40 5.10 -0.05 5.98 0.02 -0.49 -4.91 114.94 118.19 3fg4 s ASN 495 Ca 0.27 2.46 -0.30 0.00 -1.02 0.00 0.00 52.86 54.27 3fg4 s ASN 495 Cb 0.20 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 3fg4 s ASN 495 CO 0.48 -1.66 1.13 -0.70 0.02 0.00 0.00 177.10 176.37 3fg4 s GLU 496 N -3.30 4.40 0.14 -0.60 2.12 -1.26 -4.94 118.70 115.26 3fg4 s GLU 496 Ca 0.78 1.58 -0.11 0.00 0.36 0.00 0.00 54.97 57.58 3fg4 s GLU 496 Cb -0.32 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3fg4 s GLU 496 CO 0.35 -0.36 0.30 0.14 -0.54 0.00 0.00 175.26 175.15 3fg4 s VAL 497 N 1.95 0.08 0.71 3.70 -7.23 -1.26 -5.14 120.40 113.22 3fg4 s VAL 497 Ca 0.54 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.39 3fg4 s VAL 497 Cb -0.23 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.16 3fg4 s VAL 497 CO 0.22 -0.39 1.23 -2.65 -0.31 0.00 0.00 175.10 173.20 3fg4 n PRO 498 N -0.18 0.74 -0.24 4.82 -0.02 -1.26 -4.77 135.00 134.09 3fg4 n PRO 498 Ca -0.11 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3fg4 n PRO 498 Cb 0.63 -2.47 0.40 0.00 -0.02 0.00 0.00 33.50 32.04 3fg4 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg4 h ALA 499 N -0.03 1.87 -0.43 3.55 0.00 -2.00 -1.53 119.26 120.68 3fg4 h ALA 499 Ca -0.49 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3fg4 h ALA 499 Cb 1.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3fg4 h ALA 499 CO 0.50 -0.09 -0.14 0.97 0.00 0.00 0.00 179.25 180.49 3fg4 h ILE 500 N 0.65 1.26 -0.25 0.00 2.10 -1.99 0.03 117.51 119.31 3fg4 h ILE 500 Ca 0.42 -1.22 0.01 0.00 1.08 0.00 0.00 64.86 65.15 3fg4 h ILE 500 Cb 0.69 1.08 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 3fg4 h ILE 500 CO -0.18 0.41 0.13 0.58 -1.08 0.00 0.00 178.15 178.02 3fg4 h VAL 501 N 0.71 1.01 -0.81 2.19 2.07 -1.66 -1.64 116.25 118.13 3fg4 h VAL 501 Ca 0.11 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3fg4 h VAL 501 Cb 0.63 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3fg4 h VAL 501 CO 0.04 0.05 0.50 0.28 0.02 0.00 0.00 177.57 178.46 3fg4 h SER 502 N 0.28 0.97 -0.69 0.57 0.02 -0.74 -1.36 113.55 112.60 3fg4 h SER 502 Ca 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3fg4 h SER 502 Cb 0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3fg4 h SER 502 CO -0.05 0.74 0.32 -0.33 -1.14 0.00 0.00 176.83 176.37 3fg4 h GLU 503 N 1.11 0.99 -0.26 3.45 5.08 -0.83 -2.33 114.58 121.80 3fg4 h GLU 503 Ca 0.29 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3fg4 h GLU 503 Cb -0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3fg4 h GLU 503 CO -0.06 0.79 -0.37 1.96 -1.00 0.00 0.00 179.01 180.34 3fg4 h GLN 504 N 0.96 0.57 -0.18 2.33 1.08 -1.06 -0.44 115.11 118.37 3fg4 h GLN 504 Ca 0.23 -0.28 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3fg4 h GLN 504 Cb 0.13 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3fg4 h GLN 504 CO -0.03 0.85 0.01 -0.09 -0.95 0.00 0.00 178.83 178.63 3fg4 h ARG 505 N 0.48 0.07 -0.77 1.46 2.43 -1.07 0.64 114.38 117.63 3fg4 h ARG 505 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3fg4 h ARG 505 Cb 0.86 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 3fg4 h ARG 505 CO 0.07 0.05 0.49 1.96 -1.51 0.00 0.00 179.97 181.03 3fg4 h GLN 506 N 0.07 0.95 -0.73 0.20 4.20 -1.28 -1.55 115.11 116.97 3fg4 h GLN 506 Ca 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3fg4 h GLN 506 Cb 0.09 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3fg4 h GLN 506 CO -0.13 0.63 0.30 0.87 -0.67 0.00 0.00 178.83 179.83 3fg4 h LYS 507 N 0.98 1.07 -0.24 1.46 6.56 -0.39 -1.48 116.57 124.52 3fg4 h LYS 507 Ca 0.30 -0.18 0.02 0.00 -1.06 0.00 0.00 60.65 59.73 3fg4 h LYS 507 Cb -0.03 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.43 3fg4 h LYS 507 CO -0.10 0.87 0.09 1.49 -2.06 0.00 0.00 179.45 179.74 3fg4 h GLU 508 N 1.05 0.20 -0.68 3.15 4.81 -0.46 -0.68 114.58 121.98 3fg4 h GLU 508 Ca 0.25 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3fg4 h GLU 508 Cb 0.19 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3fg4 h GLU 508 CO -0.02 0.13 0.14 -0.07 -0.73 0.00 0.00 179.01 178.46 3fg4 h LEU 509 N 0.21 1.04 -0.37 1.64 3.38 -0.83 -0.15 115.31 120.23 3fg4 h LEU 509 Ca 0.10 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fg4 h LEU 509 Cb 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3fg4 h LEU 509 CO -0.10 1.02 0.14 -0.33 0.09 0.00 0.00 178.44 179.26 3fg4 h GLU 510 N 1.02 0.30 -0.68 1.13 5.08 -1.20 -2.24 114.58 117.99 3fg4 h GLU 510 Ca 0.21 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3fg4 h GLU 510 Cb 0.40 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3fg4 h GLU 510 CO 0.01 0.20 0.45 0.37 -1.00 0.00 0.00 179.01 179.03 3fg4 h GLN 511 N 0.31 0.90 -0.51 2.33 5.75 -0.51 -3.06 115.11 120.33 3fg4 h GLN 511 Ca 0.17 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.49 3fg4 h GLN 511 Cb 0.13 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3fg4 h GLN 511 CO -0.16 0.60 -0.15 0.00 -2.65 0.00 0.00 178.83 176.48 3fg4 h ARG 512 N 0.93 0.99 0.00 1.69 2.47 -0.59 -2.24 114.38 117.62 3fg4 h ARG 512 Ca 0.25 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3fg4 h ARG 512 Cb -0.10 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 3fg4 h ARG 512 CO -0.05 1.06 0.00 0.87 0.56 0.00 0.00 179.97 182.40 3fg4 h LYS 513 N 0.87 0.00 0.04 0.04 1.57 -1.31 0.17 116.57 117.95 3fg4 h LYS 513 Ca 0.13 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.59 3fg4 h LYS 513 Cb 0.71 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3fg4 h LYS 513 CO 0.05 0.00 -1.78 -0.07 -0.57 0.00 0.00 179.45 177.08 3fg4 h LEU 514 N 0.00 0.14 0.23 2.94 3.38 -1.43 -3.39 115.31 117.18 3fg4 h LEU 514 Ca 0.00 -0.31 -0.31 0.00 0.09 0.00 0.00 57.88 57.36 3fg4 h LEU 514 Cb 0.17 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.91 3fg4 h LEU 514 CO 0.00 1.27 -1.36 0.74 0.09 0.00 0.00 178.44 179.19 3fg4 h THR 515 N 0.02 1.31 -3.40 0.22 2.02 -1.03 -3.43 112.91 108.62 3fg4 h THR 515 Ca -0.32 -2.65 -0.71 0.00 0.77 0.00 0.00 66.41 63.49 3fg4 h THR 515 Cb 2.02 3.07 -0.31 0.00 -1.74 0.00 0.00 68.15 71.18 3fg4 h THR 515 CO 0.09 0.79 -0.47 -0.31 0.37 0.00 0.00 175.52 175.99 3fg4 s TYR 516 N -2.56 3.46 0.08 3.16 1.51 0.57 -4.92 117.35 118.65 3fg4 s TYR 516 Ca -0.10 -2.01 0.09 0.00 -1.01 0.00 0.00 57.07 54.04 3fg4 s TYR 516 Cb 0.03 -3.27 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 3fg4 s TYR 516 CO 0.92 -0.96 -0.25 -0.65 -1.11 0.00 0.00 175.55 173.50 3fg4 s GLN 517 N 1.29 1.53 0.66 -0.62 -0.21 -1.26 -4.60 119.66 116.45 3fg4 s GLN 517 Ca 0.06 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 3fg4 s GLN 517 Cb -0.24 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 31.96 3fg4 s GLN 517 CO -0.02 0.45 1.15 -1.58 -2.12 0.00 0.00 175.29 173.18 3fg4 s TRP 518 N -0.93 2.42 0.21 0.91 0.52 -1.26 -0.27 118.94 120.54 3fg4 s TRP 518 Ca 0.11 1.56 -0.23 0.00 0.02 0.00 0.00 56.10 57.57 3fg4 s TRP 518 Cb -0.10 -3.31 0.05 0.00 -1.15 0.00 0.00 33.47 28.96 3fg4 s TRP 518 CO 0.04 -2.02 0.75 0.34 0.02 0.00 0.00 176.95 176.08 3fg4 s ASP 519 N -2.23 -0.32 -0.11 2.95 2.15 -0.38 -4.39 116.67 114.33 3fg4 s ASP 519 Ca 0.71 -0.38 -0.07 0.00 0.43 0.00 0.00 52.55 53.23 3fg4 s ASP 519 Cb -0.24 0.63 0.04 0.00 -0.30 0.00 0.00 42.92 43.04 3fg4 s ASP 519 CO 0.40 -1.12 0.28 -0.31 -0.17 0.00 0.00 175.17 174.25 3fg4 s TYR 520 N -3.69 -0.36 0.20 -5.34 1.51 -1.26 -0.64 117.35 107.77 3fg4 s TYR 520 Ca 0.09 0.84 -0.09 0.00 -1.01 0.00 0.00 57.07 56.90 3fg4 s TYR 520 Cb -0.04 0.09 0.13 0.00 -0.11 0.00 0.00 41.96 42.04 3fg4 s TYR 520 CO 0.00 -0.22 1.75 0.28 -1.11 0.00 0.00 175.55 176.25 3fg4 h VAL 521 N 5.50 1.26 -2.31 0.71 2.07 -1.88 -3.48 116.25 118.13 3fg4 h VAL 521 Ca -0.36 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.39 3fg4 h VAL 521 Cb 1.17 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3fg4 h VAL 521 CO 0.35 0.34 0.38 -1.54 0.02 0.00 0.00 177.57 177.13 3fg4 n SER 522 N -4.29 -1.25 0.29 0.57 3.41 -1.26 -5.00 113.62 106.09 3fg4 n SER 522 Ca 0.06 -1.69 0.18 0.00 -0.26 0.00 0.00 58.87 57.17 3fg4 n SER 522 Cb 0.21 2.04 0.83 0.00 -0.26 0.00 0.00 64.21 67.03 3fg4 n SER 522 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fg4 h ASP 523 N 1.36 0.00 -0.48 4.04 3.32 -2.02 -3.00 116.42 119.64 3fg4 h ASP 523 Ca -0.19 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3fg4 h ASP 523 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3fg4 h ASP 523 CO 0.26 0.01 0.05 0.47 -1.72 0.00 0.00 179.24 178.31 3fg4 n ASP 524 N -3.12 4.77 -4.21 6.45 8.00 -1.26 -4.78 116.55 122.39 3fg4 n ASP 524 Ca -0.01 -3.06 -0.22 0.00 0.71 0.00 0.00 54.79 52.22 3fg4 n ASP 524 Cb 0.24 -0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 40.57 3fg4 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg4 s MET 525 N -2.86 1.03 0.42 -1.24 -1.94 -1.14 -4.51 119.30 109.06 3fg4 s MET 525 Ca 0.50 -0.97 -0.26 0.00 -1.71 0.00 0.00 55.69 53.25 3fg4 s MET 525 Cb 0.39 -1.14 -0.09 0.00 2.01 0.00 0.00 34.83 36.01 3fg4 s MET 525 CO 0.12 0.27 1.37 -1.25 -0.01 0.00 0.00 175.02 175.53 3fg4 s PRO 526 N -1.55 3.87 0.23 2.03 0.04 -1.26 -4.76 135.00 133.60 3fg4 s PRO 526 Ca 0.03 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 63.07 3fg4 s PRO 526 Cb -0.09 -2.74 -0.14 0.00 0.04 0.00 0.00 34.50 31.56 3fg4 s PRO 526 CO 0.03 -0.63 1.24 0.41 0.04 0.00 0.00 177.00 178.09 3fg4 n GLY 527 N 0.61 0.32 3.69 0.56 0.00 0.81 -4.74 105.19 106.44 3fg4 n GLY 527 Ca 0.04 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 3fg4 n GLY 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg4 s ASN 528 N 0.00 4.06 0.23 1.61 4.22 0.19 -3.52 114.94 121.74 3fg4 s ASN 528 Ca 0.68 -1.42 -0.30 0.00 -2.14 0.00 0.00 52.86 49.68 3fg4 s ASN 528 Cb -0.73 -0.09 -0.09 0.00 1.28 0.00 0.00 41.25 41.63 3fg4 s ASN 528 CO 0.53 -0.61 1.16 -0.51 -2.04 0.00 0.00 177.10 175.63 3fg4 s ILE 529 N -2.75 3.49 -0.16 0.54 2.07 -1.26 -1.25 121.20 121.87 3fg4 s ILE 529 Ca 0.26 1.36 -0.29 0.00 -1.41 0.00 0.00 60.65 60.57 3fg4 s ILE 529 Cb 0.06 -3.87 -0.00 0.00 0.13 0.00 0.00 42.46 38.78 3fg4 s ILE 529 CO 0.14 0.27 1.06 -0.75 -1.91 0.00 0.00 174.94 173.75 3fg4 s LYS 530 N -0.85 4.33 -0.29 3.50 2.20 0.63 -4.71 119.74 124.56 3fg4 s LYS 530 Ca 0.49 1.42 -0.17 0.00 -0.36 0.00 0.00 55.97 57.35 3fg4 s LYS 530 Cb -0.33 -3.60 0.15 0.00 -1.51 0.00 0.00 37.83 32.53 3fg4 s LYS 530 CO 0.40 -0.49 0.99 0.00 -0.36 0.00 0.00 175.35 175.89 3fg4 s ALA 531 N 2.66 -2.25 0.00 3.13 0.00 -1.26 -4.74 121.76 119.29 3fg4 s ALA 531 Ca 0.48 2.16 -0.24 0.00 0.00 0.00 0.00 51.96 54.35 3fg4 s ALA 531 Cb -0.18 -1.69 -0.15 0.00 0.00 0.00 0.00 23.12 21.11 3fg4 s ALA 531 CO 0.13 -0.33 1.10 1.57 0.00 0.00 0.00 175.76 178.23 3fg4 h LYS 532 N 5.80 -0.59 -4.98 0.00 -0.00 -1.93 -3.47 116.57 111.39 3fg4 h LYS 532 Ca -0.28 0.04 -0.47 0.00 -0.00 0.00 0.00 60.65 59.93 3fg4 h LYS 532 Cb 1.19 0.13 -0.14 0.00 -0.00 0.00 0.00 32.23 33.42 3fg4 h LYS 532 CO 0.19 -0.29 -0.55 0.95 -0.00 0.00 0.00 179.45 179.75 3fg4 s THR 533 N -4.45 0.53 0.16 0.07 -4.23 -1.26 -4.97 115.64 101.48 3fg4 s THR 533 Ca -0.13 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.22 3fg4 s THR 533 Cb 0.02 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.40 3fg4 s THR 533 CO 0.46 0.00 1.73 -0.74 -0.54 0.00 0.00 174.62 175.53 3fg4 h HIS 534 N 2.05 0.15 0.00 3.99 -0.00 -1.91 -0.99 115.15 118.43 3fg4 h HIS 534 Ca -0.35 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3fg4 h HIS 534 Cb 1.26 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 3fg4 h HIS 534 CO 1.16 0.04 0.00 -0.25 -0.00 0.00 0.00 177.93 178.87 3fg4 n ASP 535 N -5.07 0.00 -0.00 3.26 10.43 -1.26 0.91 116.55 124.81 3fg4 n ASP 535 Ca 0.02 0.14 0.13 0.00 2.57 0.00 0.00 54.79 57.65 3fg4 n ASP 535 Cb 0.16 -0.30 0.42 0.00 1.84 0.00 0.00 41.12 43.24 3fg4 n ASP 535 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3fg4 n ASP 536 N -1.30 0.28 -4.78 -2.24 8.00 -0.38 -4.86 116.55 111.27 3fg4 n ASP 536 Ca 0.06 0.07 -0.34 0.00 0.71 0.00 0.00 54.79 55.29 3fg4 n ASP 536 Cb 0.10 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 3fg4 n ASP 536 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fg4 s LEU 537 N -2.98 3.59 0.55 0.64 1.43 0.26 -4.92 118.68 117.25 3fg4 s LEU 537 Ca 0.13 1.99 -0.21 0.00 -1.03 0.00 0.00 54.13 55.02 3fg4 s LEU 537 Cb 0.18 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.79 3fg4 s LEU 537 CO 0.62 -1.26 1.12 -2.65 0.23 0.00 0.00 176.35 174.40 3fg4 n PRO 538 N -1.78 1.25 -0.10 1.29 -0.02 -1.26 -4.81 135.00 129.57 3fg4 n PRO 538 Ca 0.10 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 3fg4 n PRO 538 Cb 0.52 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.94 3fg4 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg4 h ARG 539 N 0.99 0.75 0.00 -0.52 2.43 -1.95 -1.73 114.38 114.36 3fg4 h ARG 539 Ca -0.49 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3fg4 h ARG 539 Cb 1.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3fg4 h ARG 539 CO 0.54 0.66 0.27 -0.44 -1.51 0.00 0.00 179.97 179.49 3fg4 h ASP 540 N 0.73 0.00 0.00 -3.80 3.32 -1.94 -2.44 116.42 112.29 3fg4 h ASP 540 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3fg4 h ASP 540 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fg4 h ASP 540 CO -0.01 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.84 3fg4 n VAL 541 N -2.54 0.42 -1.57 -1.35 0.24 -0.67 -4.98 118.33 107.88 3fg4 n VAL 541 Ca -0.02 -0.64 -0.30 0.00 -2.04 0.00 0.00 64.34 61.34 3fg4 n VAL 541 Cb 0.31 0.86 0.07 0.00 -1.47 0.00 0.00 33.84 33.61 3fg4 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg4 s GLN 542 N -0.42 2.54 0.51 7.34 -0.21 -0.92 -3.34 119.66 125.16 3fg4 s GLN 542 Ca 0.00 0.80 -0.23 0.00 0.02 0.00 0.00 55.36 55.95 3fg4 s GLN 542 Cb 0.00 -1.96 -0.07 0.00 1.00 0.00 0.00 33.01 31.99 3fg4 s GLN 542 CO 0.00 -1.34 1.30 1.19 -2.12 0.00 0.00 175.29 174.32 3fg4 n PHE 543 N -3.27 2.13 -0.71 0.91 3.72 -1.26 -4.86 117.46 114.12 3fg4 n PHE 543 Ca 0.07 0.45 -0.32 0.00 -0.05 0.00 0.00 57.45 57.61 3fg4 n PHE 543 Cb 0.55 -2.35 0.15 0.00 -0.94 0.00 0.00 39.48 36.89 3fg4 n PHE 543 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fg4 n THR 544 N -0.79 0.00 0.01 4.37 -2.24 -1.26 -4.78 114.28 109.59 3fg4 n THR 544 Ca 0.09 -0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3fg4 n THR 544 Cb 0.43 -0.80 0.17 0.00 -2.10 0.00 0.00 70.33 68.03 3fg4 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fg4 h ASP 545 N -1.83 0.50 -0.57 3.42 3.45 -1.95 -1.01 116.42 118.44 3fg4 h ASP 545 Ca -0.45 -0.19 0.10 0.00 0.43 0.00 0.00 57.03 56.92 3fg4 h ASP 545 Cb 1.29 -0.14 -0.08 0.00 -0.56 0.00 0.00 39.33 39.84 3fg4 h ASP 545 CO 0.38 0.79 0.13 -0.33 -1.57 0.00 0.00 179.24 178.64 3fg4 h GLU 546 N 0.42 0.26 0.00 3.56 3.07 -1.92 -0.33 114.58 119.64 3fg4 h GLU 546 Ca 0.05 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 3fg4 h GLU 546 Cb 0.76 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3fg4 h GLU 546 CO 0.06 0.17 -0.31 -0.22 -1.40 0.00 0.00 179.01 177.31 3fg4 h LYS 547 N 0.26 0.00 -0.41 2.33 1.63 -1.72 0.20 116.57 118.86 3fg4 h LYS 547 Ca 0.29 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 3fg4 h LYS 547 Cb 0.41 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3fg4 h LYS 547 CO -0.37 0.31 0.02 0.77 -3.45 0.00 0.00 179.45 176.73 3fg4 h SER 548 N 0.00 0.70 0.22 4.20 0.02 -0.94 -1.34 113.55 116.42 3fg4 h SER 548 Ca -0.00 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3fg4 h SER 548 Cb 1.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3fg4 h SER 548 CO 0.04 0.82 -0.11 -0.09 -1.14 0.00 0.00 176.83 176.35 3fg4 h ARG 549 N 0.55 -0.29 -0.61 3.45 2.43 -0.80 0.27 114.38 119.38 3fg4 h ARG 549 Ca 0.12 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3fg4 h ARG 549 Cb 0.44 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 3fg4 h ARG 549 CO 0.02 -0.05 0.02 1.03 -1.51 0.00 0.00 179.97 179.48 3fg4 h SER 550 N -0.50 -0.23 0.24 -3.80 0.87 -0.63 0.18 113.55 109.69 3fg4 h SER 550 Ca -0.03 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3fg4 h SER 550 Cb 0.37 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3fg4 h SER 550 CO 0.05 -0.10 -0.11 0.22 -0.53 0.00 0.00 176.83 176.36 3fg4 h TYR 551 N 0.14 -0.30 -0.32 2.24 3.20 -1.06 -1.71 116.97 119.16 3fg4 h TYR 551 Ca 0.32 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 3fg4 h TYR 551 Cb 0.52 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 3fg4 h TYR 551 CO -0.34 0.06 -0.03 1.96 -1.64 0.00 0.00 178.16 178.17 3fg4 h GLN 552 N -0.73 0.06 -0.73 1.82 4.20 -0.28 -2.17 115.11 117.27 3fg4 h GLN 552 Ca -0.03 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3fg4 h GLN 552 Cb 0.49 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3fg4 h GLN 552 CO 0.05 0.04 0.48 0.93 -0.67 0.00 0.00 178.83 179.66 3fg4 h GLU 553 N 0.06 0.86 -0.10 1.46 4.39 -0.70 -2.41 114.58 118.14 3fg4 h GLU 553 Ca 0.15 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 3fg4 h GLU 553 Cb 0.22 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3fg4 h GLU 553 CO -0.28 0.57 -0.55 0.66 -1.16 0.00 0.00 179.01 178.25 3fg4 h SER 554 N 0.89 0.33 -0.45 1.42 4.64 -0.70 -1.41 113.55 118.26 3fg4 h SER 554 Ca 0.29 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3fg4 h SER 554 Cb 0.06 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3fg4 h SER 554 CO -0.08 0.81 -0.03 0.03 -0.87 0.00 0.00 176.83 176.68 3fg4 h ARG 555 N 0.23 0.82 -0.22 4.77 2.47 -1.13 -0.07 114.38 121.25 3fg4 h ARG 555 Ca 0.00 -0.28 0.02 0.00 -1.26 0.00 0.00 59.98 58.46 3fg4 h ARG 555 Cb 1.04 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 3fg4 h ARG 555 CO 0.09 0.90 0.09 0.87 0.56 0.00 0.00 179.97 182.47 3fg4 h LYS 556 N 0.67 0.19 -0.64 0.04 1.57 -1.34 -2.39 116.57 114.67 3fg4 h LYS 556 Ca 0.12 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3fg4 h LYS 556 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3fg4 h LYS 556 CO 0.03 0.13 0.17 0.00 -0.57 0.00 0.00 179.45 179.20 3fg4 h ALA 557 N 1.12 0.85 -0.71 3.86 0.00 -1.23 -1.05 119.26 122.11 3fg4 h ALA 557 Ca 0.09 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3fg4 h ALA 557 Cb 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 3fg4 h ALA 557 CO -0.08 0.55 0.32 0.00 0.00 0.00 0.00 179.25 180.04 3fg4 h ALA 558 N 1.06 0.98 -0.35 0.00 0.00 -0.88 0.37 119.26 120.44 3fg4 h ALA 558 Ca 0.20 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3fg4 h ALA 558 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fg4 h ALA 558 CO -0.00 -0.12 -0.08 -0.07 0.00 0.00 0.00 179.25 178.98 3fg4 h LEU 559 N 0.52 0.68 0.27 0.00 3.38 -0.87 0.14 115.31 119.43 3fg4 h LEU 559 Ca 0.37 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fg4 h LEU 559 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fg4 h LEU 559 CO -0.32 0.89 -0.13 0.58 0.09 0.00 0.00 178.44 179.55 3fg4 h VAL 560 N 0.47 0.75 -0.57 1.22 2.07 -1.09 -1.44 116.25 117.66 3fg4 h VAL 560 Ca 0.09 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3fg4 h VAL 560 Cb 0.59 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3fg4 h VAL 560 CO 0.03 0.03 0.33 0.78 0.02 0.00 0.00 177.57 178.76 3fg4 h ASN 561 N -0.43 0.68 -0.28 0.57 2.35 -0.73 0.58 115.58 118.32 3fg4 h ASN 561 Ca -0.04 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3fg4 h ASN 561 Cb 0.32 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3fg4 h ASN 561 CO 0.06 0.53 0.12 -0.07 -1.65 0.00 0.00 177.43 176.43 3fg4 h LEU 562 N 0.78 0.38 -0.32 1.61 3.38 -0.66 -0.84 115.31 119.64 3fg4 h LEU 562 Ca 0.20 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3fg4 h LEU 562 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fg4 h LEU 562 CO -0.04 0.43 -0.02 1.23 0.09 0.00 0.00 178.44 180.13 3fg4 h GLY 563 N 0.31 0.63 0.90 0.83 0.00 -0.70 0.29 103.07 105.34 3fg4 h GLY 563 Ca 0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3fg4 h GLY 563 CO -0.01 0.44 0.03 -2.22 0.00 0.00 0.00 176.54 174.78 3fg4 h ILE 564 N 0.38 1.10 -0.64 2.60 2.04 -0.92 -1.02 117.51 121.06 3fg4 h ILE 564 Ca 0.09 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3fg4 h ILE 564 Cb 0.48 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3fg4 h ILE 564 CO 0.02 0.08 0.29 1.23 0.00 0.00 0.00 178.15 179.78 3fg4 h GLY 565 N -0.01 0.97 0.91 5.37 0.00 -1.05 -1.19 103.07 108.06 3fg4 h GLY 565 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3fg4 h GLY 565 CO -0.00 0.45 0.11 0.23 0.00 0.00 0.00 176.54 177.33 3fg4 h SER 566 N 0.90 0.40 -0.31 0.19 0.87 0.00 -1.56 113.55 114.04 3fg4 h SER 566 Ca 0.22 -0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3fg4 h SER 566 Cb 0.11 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 3fg4 h SER 566 CO -0.03 0.47 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.54 3fg4 h LEU 567 N 0.32 -0.46 -0.64 2.23 3.38 -0.93 -1.03 115.31 118.18 3fg4 h LEU 567 Ca 0.10 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3fg4 h LEU 567 Cb 0.19 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3fg4 h LEU 567 CO -0.01 -0.17 0.28 0.15 0.09 0.00 0.00 178.44 178.78 3fg4 h PHE 568 N -0.08 0.96 -0.68 1.13 3.04 -0.82 -3.01 116.94 117.47 3fg4 h PHE 568 Ca 0.16 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3fg4 h PHE 568 Cb 0.32 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3fg4 h PHE 568 CO -0.34 0.74 0.00 0.25 -2.02 0.00 0.00 178.31 176.94 3fg4 n THR 569 N -4.45 0.90 -0.30 4.41 -2.24 -0.62 -4.70 114.28 107.29 3fg4 n THR 569 Ca 0.04 -0.93 0.13 0.00 -2.27 0.00 0.00 64.05 61.03 3fg4 n THR 569 Cb 0.15 0.51 0.29 0.00 -2.10 0.00 0.00 70.33 69.19 3fg4 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg4 h MET 570 N 4.15 0.23 -0.35 -0.78 4.05 -1.04 -2.32 114.93 118.86 3fg4 h MET 570 Ca 0.00 -0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.20 3fg4 h MET 570 Cb 0.95 -0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 31.57 3fg4 h MET 570 CO 0.00 0.15 -0.19 1.19 0.23 0.00 0.00 176.91 178.30 3fg4 n PHE 571 N -5.19 1.13 -3.11 1.39 3.01 -1.26 -5.00 117.46 108.42 3fg4 n PHE 571 Ca 0.21 -1.71 -0.39 0.00 1.01 0.00 0.00 57.45 56.58 3fg4 n PHE 571 Cb 0.68 -0.48 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 3fg4 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg4 s GLU 572 N -3.31 4.39 -0.23 -1.08 2.02 -0.88 -5.03 118.70 114.59 3fg4 s GLU 572 Ca 0.45 0.93 -0.15 0.00 0.02 0.00 0.00 54.97 56.22 3fg4 s GLU 572 Cb 0.41 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 3fg4 s GLU 572 CO -0.01 0.49 0.36 0.54 0.02 0.00 0.00 175.26 176.65 3fg4 s ASN 573 N -0.69 6.33 -0.26 -0.19 2.20 -1.26 -5.02 114.94 116.04 3fg4 s ASN 573 Ca 0.33 0.38 -0.28 0.00 -0.94 0.00 0.00 52.86 52.35 3fg4 s ASN 573 Cb -0.20 -2.21 0.01 0.00 -2.00 0.00 0.00 41.25 36.85 3fg4 s ASN 573 CO 0.22 -0.10 1.02 0.86 -2.94 0.00 0.00 177.10 176.16 3fg4 s TRP 574 N 1.54 3.27 -0.00 1.54 -0.00 -1.26 -4.83 118.94 119.20 3fg4 s TRP 574 Ca 0.16 1.33 0.01 0.00 -0.00 0.00 0.00 56.10 57.59 3fg4 s TRP 574 Cb -0.15 -3.38 0.01 0.00 -0.00 0.00 0.00 33.47 29.95 3fg4 s TRP 574 CO 0.08 -0.56 0.87 -0.40 -0.00 0.00 0.00 176.95 176.93 3fg4 n ASP 575 N 6.46 0.09 -3.56 5.86 5.68 -1.26 -5.06 116.55 124.76 3fg4 n ASP 575 Ca 0.11 -1.76 -0.14 0.00 -0.50 0.00 0.00 54.79 52.51 3fg4 n ASP 575 Cb 0.47 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 3fg4 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg4 s SER 576 N -0.78 -0.47 0.35 -1.12 1.04 -1.26 -4.98 113.70 106.49 3fg4 s SER 576 Ca 0.01 0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.73 3fg4 s SER 576 Cb 0.01 0.51 0.84 0.00 0.10 0.00 0.00 66.02 67.47 3fg4 s SER 576 CO 0.00 -0.74 1.85 1.88 0.98 0.00 0.00 173.24 177.22 3fg4 h TYR 577 N 2.72 0.83 0.00 5.02 0.99 -1.98 -2.55 116.97 122.00 3fg4 h TYR 577 Ca -0.31 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.45 3fg4 h TYR 577 Cb 1.22 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 38.69 3fg4 h TYR 577 CO 0.35 0.28 0.00 -0.25 -0.00 0.00 0.00 178.16 178.54 3fg4 n ASP 578 N -4.58 0.32 0.20 3.88 8.00 -1.26 -2.09 116.55 121.02 3fg4 n ASP 578 Ca 0.19 0.59 0.04 0.00 0.71 0.00 0.00 54.79 56.31 3fg4 n ASP 578 Cb 0.51 -0.65 0.42 0.00 -0.02 0.00 0.00 41.12 41.38 3fg4 n ASP 578 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fg4 h ASP 579 N 0.00 0.00 0.21 -2.24 3.45 -1.87 -2.83 116.42 113.14 3fg4 h ASP 579 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3fg4 h ASP 579 Cb 0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3fg4 h ASP 579 CO 0.00 0.31 -0.06 1.88 -1.57 0.00 0.00 179.24 179.79 3fg4 h TYR 580 N 0.00 0.00 -0.41 4.55 -1.99 -1.62 -2.78 116.97 114.72 3fg4 h TYR 580 Ca -0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.85 3fg4 h TYR 580 Cb 0.56 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 3fg4 h TYR 580 CO 0.00 0.06 0.30 0.45 -0.00 0.00 0.00 178.16 178.97 3fg4 h HIS 581 N 0.00 0.00 -0.32 4.88 3.86 -1.71 -1.11 115.15 120.75 3fg4 h HIS 581 Ca -0.00 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 3fg4 h HIS 581 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3fg4 h HIS 581 CO 0.00 0.00 0.23 0.97 0.86 0.00 0.00 177.93 179.99 3fg4 h ILE 582 N 0.00 0.86 0.00 2.45 6.09 -1.70 -3.12 117.51 122.10 3fg4 h ILE 582 Ca 0.19 -0.02 -0.04 0.00 -1.37 0.00 0.00 64.86 63.63 3fg4 h ILE 582 Cb 0.78 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 38.88 3fg4 h ILE 582 CO -0.00 0.01 -0.17 -0.07 -3.07 0.00 0.00 178.15 174.84 3fg4 h LEU 583 N 0.05 0.00 -0.94 2.19 3.38 -1.41 -2.59 115.31 115.99 3fg4 h LEU 583 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3fg4 h LEU 583 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3fg4 h LEU 583 CO -0.01 0.17 -0.50 0.00 0.09 0.00 0.00 178.44 178.20 3fg4 n TYR 584 N -3.19 0.00 -0.10 1.13 0.18 -1.18 -4.64 117.16 109.36 3fg4 n TYR 584 Ca 0.02 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.72 3fg4 n TYR 584 Cb 0.52 -0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.55 3fg4 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg4 h ARG 585 N 2.29 0.80 -0.73 -3.48 2.43 -1.49 -2.68 114.38 111.53 3fg4 h ARG 585 Ca 0.00 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3fg4 h ARG 585 Cb 0.74 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3fg4 h ARG 585 CO 0.00 0.95 0.04 0.27 -1.51 0.00 0.00 179.97 179.71 3fg4 n ASN 586 N -4.11 4.30 -4.49 -3.80 6.94 -1.26 -4.90 115.26 107.94 3fg4 n ASN 586 Ca 0.00 -2.70 -0.33 0.00 -0.02 0.00 0.00 54.58 51.53 3fg4 n ASN 586 Cb 0.44 -0.64 -0.13 0.00 -2.36 0.00 0.00 39.78 37.09 3fg4 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg4 s TRP 587 N -2.26 2.73 -0.62 -2.53 0.52 -1.01 -4.93 118.94 110.85 3fg4 s TRP 587 Ca 0.39 -0.13 -0.26 0.00 0.02 0.00 0.00 56.10 56.11 3fg4 s TRP 587 Cb 0.30 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 31.02 3fg4 s TRP 587 CO 0.11 0.21 1.10 0.42 0.02 0.00 0.00 176.95 178.81 3fg4 s ILE 588 N -0.75 4.11 -0.05 2.03 -1.09 -1.26 -4.83 121.20 119.37 3fg4 s ILE 588 Ca 0.12 0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.96 3fg4 s ILE 588 Cb -0.11 -4.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.06 3fg4 s ILE 588 CO 0.01 -1.40 0.04 0.18 -1.23 0.00 0.00 174.94 172.54 3fg4 n LEU 589 N 8.24 0.05 0.00 2.97 4.77 -1.26 -4.97 117.00 126.79 3fg4 n LEU 589 Ca 0.03 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3fg4 n LEU 589 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3fg4 n LEU 589 CO 0.68 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3fg4 n GLY 590 N 1.12 0.76 0.00 -0.72 0.00 -1.26 -5.00 105.19 100.10 3fg4 n GLY 590 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fg4 n GLY 590 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 591 N -1.31 3.53 3.69 -0.02 0.00 -1.26 -5.07 105.19 104.75 3fg4 n GLY 591 Ca 0.00 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 3fg4 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg4 n THR 592 N -1.36 1.19 -1.63 2.61 -1.04 -1.26 -4.87 114.28 107.93 3fg4 n THR 592 Ca 0.00 -0.30 -0.49 0.00 -2.04 0.00 0.00 64.05 61.22 3fg4 n THR 592 Cb 0.00 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 3fg4 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg4 n PRO 593 N 1.74 1.62 0.00 -2.82 -0.02 -1.26 -4.79 135.00 129.46 3fg4 n PRO 593 Ca 0.10 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 3fg4 n PRO 593 Cb 0.33 -2.27 0.69 0.00 -0.02 0.00 0.00 33.50 32.24 3fg4 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg4 n ASN 594 N 2.83 0.00 -0.95 2.55 2.04 -1.26 -0.84 115.26 119.63 3fg4 n ASN 594 Ca 0.17 -0.51 0.12 0.00 -0.44 0.00 0.00 54.58 53.92 3fg4 n ASN 594 Cb 0.24 -0.11 0.13 0.00 -2.53 0.00 0.00 39.78 37.52 3fg4 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg4 n MET 595 N -1.11 2.31 -0.24 -3.83 2.81 -1.26 -4.61 117.12 111.20 3fg4 n MET 595 Ca 0.16 -1.90 0.07 0.00 -1.81 0.00 0.00 57.70 54.21 3fg4 n MET 595 Cb 0.12 -1.46 0.32 0.00 -0.71 0.00 0.00 33.22 31.49 3fg4 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg4 h ALA 596 N 4.68 1.66 -0.04 3.04 0.00 -1.29 -1.28 119.26 126.03 3fg4 h ALA 596 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fg4 h ALA 596 Cb 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3fg4 h ALA 596 CO 0.00 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 3fg4 n ASP 597 N -4.50 1.78 0.00 0.00 3.85 -1.26 -4.45 116.55 111.97 3fg4 n ASP 597 Ca 0.13 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 3fg4 n ASP 597 Cb 0.26 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 3fg4 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg4 n ARG 598 N 0.39 0.00 0.31 0.11 1.85 -0.99 -4.90 116.66 113.43 3fg4 n ARG 598 Ca 0.18 -0.18 0.19 0.00 -1.00 0.00 0.00 57.85 57.03 3fg4 n ARG 598 Cb 0.39 -0.34 1.02 0.00 -1.05 0.00 0.00 32.46 32.48 3fg4 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg4 h TRP 599 N 0.00 0.00 0.00 2.89 5.08 -1.46 -2.35 115.95 120.11 3fg4 h TRP 599 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fg4 h TRP 599 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3fg4 h TRP 599 CO 0.00 0.02 -0.85 -2.39 -1.28 0.00 0.00 178.44 173.94 3fg4 n HIS 600 N -3.40 0.16 -2.69 0.12 1.44 -1.26 -4.46 115.22 105.13 3fg4 n HIS 600 Ca -0.03 0.05 -0.42 0.00 -2.01 0.00 0.00 57.72 55.31 3fg4 n HIS 600 Cb 0.12 -0.33 -0.03 0.00 0.12 0.00 0.00 29.99 29.87 3fg4 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fg4 s GLU 601 N -3.11 4.52 0.33 -1.40 2.02 -0.88 -4.94 118.70 115.23 3fg4 s GLU 601 Ca 0.07 1.42 0.11 0.00 0.02 0.00 0.00 54.97 56.60 3fg4 s GLU 601 Cb 0.15 -3.48 0.99 0.00 0.10 0.00 0.00 34.13 31.89 3fg4 s GLU 601 CO 0.78 -0.13 1.67 -0.44 0.02 0.00 0.00 175.26 177.16 3fg4 h ASP 602 N 6.89 0.45 -0.91 -0.19 3.32 -1.88 0.01 116.42 124.11 3fg4 h ASP 602 Ca -0.38 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3fg4 h ASP 602 Cb 1.20 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 3fg4 h ASP 602 CO 0.78 -0.10 0.54 -0.09 -1.72 0.00 0.00 179.24 178.65 3fg4 h ARG 603 N 0.35 1.25 0.00 3.56 1.12 -1.92 -1.64 114.38 117.10 3fg4 h ARG 603 Ca 0.69 -0.12 -0.16 0.00 -1.11 0.00 0.00 59.98 59.27 3fg4 h ARG 603 Cb 1.50 -0.26 -0.03 0.00 -0.01 0.00 0.00 29.97 31.17 3fg4 h ARG 603 CO -0.59 0.88 -1.50 0.91 -3.11 0.00 0.00 179.97 176.56 3fg4 n TRP 604 N -4.35 0.86 -0.08 2.20 7.02 -0.43 -1.89 117.44 120.77 3fg4 n TRP 604 Ca 0.10 0.28 -0.07 0.00 -1.02 0.00 0.00 57.50 56.80 3fg4 n TRP 604 Cb 0.07 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 27.92 3fg4 n TRP 604 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3fg4 h PHE 605 N 0.00 0.06 -0.12 -5.99 3.57 -0.96 -3.10 116.94 110.39 3fg4 h PHE 605 Ca -0.17 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.17 3fg4 h PHE 605 Cb 1.57 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 3fg4 h PHE 605 CO 0.00 -0.00 -0.65 0.78 -2.23 0.00 0.00 178.31 176.21 3fg4 h GLY 606 N 0.14 0.51 0.68 2.40 0.00 -1.27 -3.08 103.07 102.45 3fg4 h GLY 606 Ca 0.14 -0.66 0.12 0.00 0.00 0.00 0.00 47.33 46.94 3fg4 h GLY 606 CO -0.20 0.59 0.54 -1.82 0.00 0.00 0.00 176.54 175.65 3fg4 h TYR 607 N 0.34 0.76 0.00 5.60 3.20 -1.33 -1.87 116.97 123.67 3fg4 h TYR 607 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3fg4 h TYR 607 Cb 1.20 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3fg4 h TYR 607 CO 0.04 0.31 0.00 1.04 -1.64 0.00 0.00 178.16 177.92 3fg4 n GLN 608 N -4.53 0.11 0.17 1.82 6.02 -1.16 -1.49 117.38 118.32 3fg4 n GLN 608 Ca 0.15 0.21 0.13 0.00 -0.01 0.00 0.00 57.00 57.49 3fg4 n GLN 608 Cb 0.42 -1.66 0.43 0.00 1.02 0.00 0.00 30.24 30.44 3fg4 n GLN 608 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3fg4 h PHE 609 N 0.00 0.00 0.00 1.08 -1.00 -1.49 -1.11 116.94 114.42 3fg4 h PHE 609 Ca 0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.41 3fg4 h PHE 609 Cb 0.46 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.96 3fg4 h PHE 609 CO 0.00 0.00 -2.41 1.28 -1.61 0.00 0.00 178.31 175.57 3fg4 n LEU 610 N -2.62 2.98 0.00 1.54 4.77 -0.64 -4.44 117.00 118.58 3fg4 n LEU 610 Ca 0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3fg4 n LEU 610 Cb 0.38 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3fg4 n LEU 610 CO 0.28 0.92 0.32 0.59 -1.33 0.00 0.00 177.39 178.16 3fg4 n ASN 611 N -3.22 1.01 -0.72 -1.43 3.02 -0.56 -4.32 115.26 109.04 3fg4 n ASN 611 Ca -0.44 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3fg4 n ASN 611 Cb 0.97 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 3fg4 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg4 n GLY 612 N -0.20 1.46 0.22 7.41 0.00 -0.42 -4.92 105.19 108.73 3fg4 n GLY 612 Ca 0.00 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.26 3fg4 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 613 N -1.24 0.96 -2.22 4.61 0.00 -1.82 -3.36 119.26 116.18 3fg4 h ALA 613 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 3fg4 h ALA 613 Cb 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.35 3fg4 h ALA 613 CO 0.00 0.19 -0.73 -1.71 0.00 0.00 0.00 179.25 177.00 3fg4 n ASN 614 N -3.21 3.72 -1.44 0.00 4.05 -1.26 -4.38 115.26 112.73 3fg4 n ASN 614 Ca 0.02 -3.52 -0.07 0.00 0.45 0.00 0.00 54.58 51.45 3fg4 n ASN 614 Cb 0.47 -0.59 0.04 0.00 1.23 0.00 0.00 39.78 40.93 3fg4 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg4 n PRO 615 N 0.04 1.36 0.00 1.20 -0.04 -1.26 -4.05 135.00 132.25 3fg4 n PRO 615 Ca 0.30 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3fg4 n PRO 615 Cb 0.44 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3fg4 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg4 n VAL 616 N 0.29 0.00 -0.07 0.52 0.24 -1.26 -4.81 118.33 113.25 3fg4 n VAL 616 Ca 0.16 -0.47 -0.07 0.00 -2.04 0.00 0.00 64.34 61.91 3fg4 n VAL 616 Cb 0.74 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 34.02 3fg4 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg4 n ILE 617 N -0.84 0.85 -1.57 1.34 3.06 -1.26 -4.98 119.36 115.96 3fg4 n ILE 617 Ca 0.00 -0.46 -0.48 0.00 -2.50 0.00 0.00 62.75 59.31 3fg4 n ILE 617 Cb 0.00 -0.79 -0.04 0.00 0.54 0.00 0.00 39.64 39.35 3fg4 n ILE 617 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3fg4 n LEU 618 N -2.60 1.41 -4.12 9.51 7.94 -1.26 -4.71 117.00 123.17 3fg4 n LEU 618 Ca -0.22 1.15 -0.12 0.00 -1.11 0.00 0.00 56.01 55.71 3fg4 n LEU 618 Cb 0.86 -1.21 -0.11 0.00 0.53 0.00 0.00 43.42 43.50 3fg4 n LEU 618 CO 0.23 -1.41 -0.40 0.42 -1.11 0.00 0.00 177.39 175.12 3fg4 s THR 619 N -0.37 0.66 0.07 1.96 -4.23 0.82 -4.91 115.64 109.64 3fg4 s THR 619 Ca 0.71 -1.51 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 3fg4 s THR 619 Cb -0.84 -1.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 3fg4 s THR 619 CO 0.54 -0.61 1.73 -0.60 -0.54 0.00 0.00 174.62 175.13 3fg4 s ARG 620 N -2.68 4.18 -0.37 3.99 3.52 -0.09 -0.36 118.95 127.12 3fg4 s ARG 620 Ca 0.01 2.41 -0.23 0.00 -0.13 0.00 0.00 55.73 57.79 3fg4 s ARG 620 Cb -0.03 -3.69 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 3fg4 s ARG 620 CO -0.02 -0.79 0.76 0.00 -0.81 0.00 0.00 175.30 174.44 3fg4 n ASP 622 N 6.40 1.50 -3.63 0.00 8.00 -1.26 -4.74 116.55 122.83 3fg4 n ASP 622 Ca 0.02 -1.18 -0.09 0.00 0.71 0.00 0.00 54.79 54.25 3fg4 n ASP 622 Cb 0.48 0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 41.93 3fg4 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg4 s ALA 623 N -2.58 -1.97 0.45 2.24 0.00 -1.26 -4.90 121.76 113.74 3fg4 s ALA 623 Ca 0.19 1.82 -0.25 0.00 0.00 0.00 0.00 51.96 53.72 3fg4 s ALA 623 Cb 0.18 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 3fg4 s ALA 623 CO 0.60 -0.24 1.30 1.28 0.00 0.00 0.00 175.76 178.69 3fg4 n LEU 624 N 1.93 4.39 -4.75 0.00 7.99 -1.26 -4.98 117.00 120.33 3fg4 n LEU 624 Ca -0.12 1.08 -0.36 0.00 -0.01 0.00 0.00 56.01 56.61 3fg4 n LEU 624 Cb 0.56 -1.52 0.04 0.00 -0.11 0.00 0.00 43.42 42.39 3fg4 n LEU 624 CO 0.05 -0.60 0.83 -2.84 -1.51 0.00 0.00 177.39 173.31 3fg4 s PRO 625 N -2.36 2.85 0.37 3.23 0.02 -1.26 -4.92 135.00 132.93 3fg4 s PRO 625 Ca 0.63 1.80 0.08 0.00 0.02 0.00 0.00 61.00 63.53 3fg4 s PRO 625 Cb -0.48 -1.92 0.73 0.00 0.02 0.00 0.00 34.50 32.86 3fg4 s PRO 625 CO 0.56 -1.30 1.91 0.66 -0.33 0.00 0.00 177.00 178.50 3fg4 h SER 626 N 0.68 0.31 -0.30 2.53 4.64 -2.01 0.15 113.55 119.55 3fg4 h SER 626 Ca -0.50 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3fg4 h SER 626 Cb 1.30 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fg4 h SER 626 CO 0.54 0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 176.48 3fg4 n ASN 627 N -4.28 1.92 -3.48 4.97 2.04 -1.26 -4.39 115.26 110.78 3fg4 n ASN 627 Ca -0.00 -1.89 -0.27 0.00 -0.44 0.00 0.00 54.58 51.99 3fg4 n ASN 627 Cb 0.26 -0.20 -0.09 0.00 -2.53 0.00 0.00 39.78 37.22 3fg4 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3fg4 n PHE 628 N 0.52 1.63 -1.74 -2.53 7.35 0.04 -4.03 117.46 118.70 3fg4 n PHE 628 Ca 0.14 -3.88 -0.40 0.00 -0.76 0.00 0.00 57.45 52.56 3fg4 n PHE 628 Cb 0.33 -0.35 -0.01 0.00 0.35 0.00 0.00 39.48 39.79 3fg4 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg4 n PRO 629 N 1.68 4.27 -2.40 -7.13 -0.04 -1.26 -4.45 135.00 125.67 3fg4 n PRO 629 Ca 0.25 -2.99 -0.41 0.00 -0.04 0.00 0.00 63.50 60.31 3fg4 n PRO 629 Cb 0.44 -2.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 3fg4 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg4 s VAL 630 N 0.07 3.76 0.40 0.52 1.01 -1.26 -5.03 120.40 119.87 3fg4 s VAL 630 Ca 0.60 1.40 0.08 0.00 0.00 0.00 0.00 61.98 64.05 3fg4 s VAL 630 Cb 0.18 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3fg4 s VAL 630 CO -0.08 0.18 0.30 0.42 0.00 0.00 0.00 175.10 175.93 3fg4 s THR 631 N 0.33 2.68 0.33 3.92 -4.23 -1.26 -5.01 115.64 112.39 3fg4 s THR 631 Ca 0.55 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 3fg4 s THR 631 Cb -0.31 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 70.78 3fg4 s THR 631 CO 0.34 -0.03 1.99 -1.13 -0.54 0.00 0.00 174.62 175.24 3fg4 h ASN 632 N 1.19 0.81 -0.67 3.99 -1.24 -1.98 -2.12 115.58 115.55 3fg4 h ASN 632 Ca -0.42 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.54 3fg4 h ASN 632 Cb 1.26 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 40.08 3fg4 h ASN 632 CO 0.61 0.58 0.30 -0.33 -1.29 0.00 0.00 177.43 177.30 3fg4 h GLU 633 N 0.95 1.01 -0.77 6.67 4.39 -2.00 0.81 114.58 125.64 3fg4 h GLU 633 Ca 0.27 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3fg4 h GLU 633 Cb -0.07 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.36 3fg4 h GLU 633 CO -0.06 0.80 0.50 0.45 -1.16 0.00 0.00 179.01 179.54 3fg4 h HIS 634 N 1.00 0.95 -0.01 4.33 3.86 -1.78 -3.36 115.15 120.13 3fg4 h HIS 634 Ca 0.24 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3fg4 h HIS 634 Cb 0.15 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.30 3fg4 h HIS 634 CO 0.01 0.57 -0.08 1.33 0.86 0.00 0.00 177.93 180.62 3fg4 n VAL 635 N -4.58 0.00 -0.35 2.45 0.24 -0.89 -4.71 118.33 110.49 3fg4 n VAL 635 Ca 0.08 -0.46 0.08 0.00 -2.04 0.00 0.00 64.34 62.01 3fg4 n VAL 635 Cb 0.05 1.11 0.25 0.00 -1.47 0.00 0.00 33.84 33.78 3fg4 n VAL 635 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3fg4 h ASN 636 N 1.01 0.82 0.39 -1.34 -1.24 -1.01 0.74 115.58 114.94 3fg4 h ASN 636 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3fg4 h ASN 636 Cb 0.26 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.21 3fg4 h ASN 636 CO 0.00 0.39 0.00 0.00 -1.29 0.00 0.00 177.43 176.53 3fg4 h ALA 637 N 1.56 1.00 0.00 1.57 0.00 -1.85 -2.42 119.26 119.12 3fg4 h ALA 637 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3fg4 h ALA 637 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fg4 h ALA 637 CO -0.31 0.00 -0.80 0.77 0.00 0.00 0.00 179.25 178.91 3fg4 h SER 638 N 0.00 0.00 -3.91 0.00 0.02 -1.19 -3.47 113.55 105.00 3fg4 h SER 638 Ca 0.00 -0.03 -0.46 0.00 -0.84 0.00 0.00 61.79 60.46 3fg4 h SER 638 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3fg4 h SER 638 CO 0.00 0.01 0.31 -0.76 -1.14 0.00 0.00 176.83 175.25 3fg4 s LEU 639 N -5.36 4.18 0.00 5.07 1.43 -0.91 -4.95 118.68 118.14 3fg4 s LEU 639 Ca 0.01 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 3fg4 s LEU 639 Cb 0.09 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3fg4 s LEU 639 CO 0.76 -0.17 0.80 -0.90 0.23 0.00 0.00 176.35 177.08 3fg4 n ASP 640 N 0.09 0.01 -0.41 2.29 5.75 -1.26 -4.82 116.55 118.19 3fg4 n ASP 640 Ca 0.03 -1.60 0.04 0.00 -0.01 0.00 0.00 54.79 53.26 3fg4 n ASP 640 Cb 0.52 -0.11 0.08 0.00 -1.03 0.00 0.00 41.12 40.58 3fg4 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg4 n ARG 641 N 0.02 1.87 -0.02 0.11 1.74 -1.26 -4.69 116.66 114.42 3fg4 n ARG 641 Ca -0.00 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 3fg4 n ARG 641 Cb 0.63 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 3fg4 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg4 n GLY 642 N 0.32 0.71 3.38 -0.13 0.00 -1.26 -5.06 105.19 103.15 3fg4 n GLY 642 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3fg4 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg4 s LYS 643 N -0.98 1.43 0.69 1.61 1.02 -1.26 -5.15 119.74 117.10 3fg4 s LYS 643 Ca 0.00 -1.64 0.03 0.00 0.02 0.00 0.00 55.97 54.37 3fg4 s LYS 643 Cb 0.00 -1.29 0.12 0.00 -0.52 0.00 0.00 37.83 36.15 3fg4 s LYS 643 CO 0.00 0.22 0.95 -0.80 -0.92 0.00 0.00 175.35 174.79 3fg4 s ASN 644 N -3.37 4.50 0.15 2.83 0.01 -1.26 -4.78 114.94 113.03 3fg4 s ASN 644 Ca 0.25 -0.56 -0.17 0.00 -0.71 0.00 0.00 52.86 51.66 3fg4 s ASN 644 Cb -0.02 0.18 0.06 0.00 0.41 0.00 0.00 41.25 41.89 3fg4 s ASN 644 CO 0.09 -1.76 1.70 0.25 -1.51 0.00 0.00 177.10 175.86 3fg4 h LEU 645 N -0.35 -0.19 -0.85 0.60 5.85 -1.95 -1.64 115.31 116.78 3fg4 h LEU 645 Ca -0.33 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.61 3fg4 h LEU 645 Cb 1.27 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.37 3fg4 h LEU 645 CO 0.39 -0.06 0.46 -2.24 -0.34 0.00 0.00 178.44 176.65 3fg4 h ASP 646 N 0.07 0.58 0.01 1.25 2.03 -1.99 0.27 116.42 118.63 3fg4 h ASP 646 Ca 0.16 0.08 -0.18 0.00 -0.73 0.00 0.00 57.03 56.36 3fg4 h ASP 646 Cb 0.23 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 3fg4 h ASP 646 CO -0.29 0.27 -0.64 -0.33 -1.03 0.00 0.00 179.24 177.22 3fg4 h GLU 647 N 0.67 0.60 -0.16 4.15 5.08 -1.76 -2.21 114.58 120.96 3fg4 h GLU 647 Ca 0.46 -0.43 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3fg4 h GLU 647 Cb 0.60 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3fg4 h GLU 647 CO -0.34 1.05 -0.48 0.93 -1.00 0.00 0.00 179.01 179.17 3fg4 h GLU 648 N 0.44 0.41 0.23 2.33 4.39 -0.38 0.27 114.58 122.27 3fg4 h GLU 648 Ca -0.01 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3fg4 h GLU 648 Cb 1.21 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3fg4 h GLU 648 CO 0.12 0.80 -0.11 0.82 -1.16 0.00 0.00 179.01 179.49 3fg4 h ILE 649 N 0.33 0.79 -0.78 3.13 2.04 -0.90 -1.99 117.51 120.12 3fg4 h ILE 649 Ca 0.02 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3fg4 h ILE 649 Cb 0.97 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3fg4 h ILE 649 CO 0.08 0.02 0.52 0.11 0.00 0.00 0.00 178.15 178.88 3fg4 h LYS 650 N -0.35 1.01 0.00 2.37 6.56 -1.05 -2.57 116.57 122.54 3fg4 h LYS 650 Ca -0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3fg4 h LYS 650 Cb 0.27 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 3fg4 h LYS 650 CO 0.05 0.67 0.00 -0.25 -2.06 0.00 0.00 179.45 177.86 3fg4 n ASP 651 N -4.42 0.00 0.00 0.86 10.43 0.91 -4.90 116.55 119.43 3fg4 n ASP 651 Ca 0.09 0.42 0.00 0.00 2.57 0.00 0.00 54.79 57.87 3fg4 n ASP 651 Cb 0.04 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 42.54 3fg4 n ASP 651 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fg4 n GLY 652 N 0.27 0.46 0.76 0.44 0.00 -0.81 -4.94 105.19 101.36 3fg4 n GLY 652 Ca 0.05 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.23 3fg4 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg4 n HIS 653 N -3.46 0.54 -4.68 1.61 8.25 -0.82 -4.69 115.22 111.97 3fg4 n HIS 653 Ca 0.00 -0.48 -0.33 0.00 -0.26 0.00 0.00 57.72 56.65 3fg4 n HIS 653 Cb 0.28 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.23 3fg4 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg4 s ILE 654 N -1.00 3.21 0.08 1.59 -1.09 -1.25 -0.74 121.20 121.99 3fg4 s ILE 654 Ca 0.28 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3fg4 s ILE 654 Cb 0.14 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 3fg4 s ILE 654 CO 0.19 0.52 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.01 3fg4 s TYR 655 N 0.38 0.93 -0.02 3.97 1.51 -0.55 -0.93 117.35 122.64 3fg4 s TYR 655 Ca -0.09 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.19 3fg4 s TYR 655 Cb -0.16 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3fg4 s TYR 655 CO 0.05 -0.04 0.31 -1.50 -1.11 0.00 0.00 175.55 173.26 3fg4 s ILE 656 N -2.18 0.05 0.02 2.71 2.07 0.51 -0.07 121.20 124.31 3fg4 s ILE 656 Ca 0.01 -0.45 0.08 0.00 -1.41 0.00 0.00 60.65 58.87 3fg4 s ILE 656 Cb -0.05 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3fg4 s ILE 656 CO -0.00 -0.25 -0.23 0.68 -1.91 0.00 0.00 174.94 173.23 3fg4 s VAL 657 N -1.25 1.80 -0.11 4.00 -7.23 -0.73 -0.13 120.40 116.76 3fg4 s VAL 657 Ca -0.13 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3fg4 s VAL 657 Cb -0.05 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.40 3fg4 s VAL 657 CO 0.04 0.36 0.04 -0.62 -0.31 0.00 0.00 175.10 174.61 3fg4 s ASP 658 N -0.91 1.90 -0.33 4.85 2.15 -1.26 -2.11 116.67 120.96 3fg4 s ASP 658 Ca 0.09 -0.30 0.06 0.00 0.43 0.00 0.00 52.55 52.83 3fg4 s ASP 658 Cb -0.09 -0.36 0.61 0.00 -0.30 0.00 0.00 42.92 42.78 3fg4 s ASP 658 CO 0.01 -0.26 1.71 0.49 -0.17 0.00 0.00 175.17 176.95 3fg4 n PHE 659 N 5.19 2.35 -0.13 -5.34 3.01 -0.31 -4.66 117.46 117.58 3fg4 n PHE 659 Ca -0.06 -1.32 0.24 0.00 1.01 0.00 0.00 57.45 57.32 3fg4 n PHE 659 Cb 0.49 -0.72 0.68 0.00 -0.01 0.00 0.00 39.48 39.92 3fg4 n PHE 659 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3fg4 h LYS 660 N 1.67 0.07 -0.04 -1.08 2.10 -1.79 0.12 116.57 117.61 3fg4 h LYS 660 Ca 0.37 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 59.03 3fg4 h LYS 660 Cb 2.33 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 33.65 3fg4 h LYS 660 CO 0.78 0.05 0.23 -0.24 -2.00 0.00 0.00 179.45 178.27 3fg4 h VAL 661 N 0.07 0.08 -0.00 0.07 3.04 -1.96 0.17 116.25 117.72 3fg4 h VAL 661 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 3fg4 h VAL 661 Cb 1.38 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3fg4 h VAL 661 CO -0.03 0.00 -0.05 0.18 -1.01 0.00 0.00 177.57 176.66 3fg4 n LEU 662 N -3.10 0.13 -4.75 3.16 4.77 0.42 -4.85 117.00 112.78 3fg4 n LEU 662 Ca -0.01 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 3fg4 n LEU 662 Cb 0.30 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3fg4 n LEU 662 CO 0.18 0.03 1.18 0.52 -1.33 0.00 0.00 177.39 177.96 3fg4 n VAL 663 N -1.27 1.47 -0.78 4.08 0.31 0.60 -2.27 118.33 120.48 3fg4 n VAL 663 Ca 0.12 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3fg4 n VAL 663 Cb 0.27 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3fg4 n VAL 663 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fg4 n GLY 664 N 1.38 0.65 3.74 2.92 0.00 0.18 -5.01 105.19 109.05 3fg4 n GLY 664 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3fg4 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 s ALA 665 N -2.19 3.33 -0.41 4.61 0.00 -0.96 -4.65 121.76 121.49 3fg4 s ALA 665 Ca 0.00 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 3fg4 s ALA 665 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.86 3fg4 s ALA 665 CO 0.00 -0.00 0.41 0.21 0.00 0.00 0.00 175.76 176.38 3fg4 s LYS 666 N -0.68 3.15 0.56 0.00 2.20 -1.26 -1.00 119.74 122.71 3fg4 s LYS 666 Ca 0.45 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 3fg4 s LYS 666 Cb -0.27 -3.94 0.04 0.00 -1.51 0.00 0.00 37.83 32.15 3fg4 s LYS 666 CO 0.33 -0.79 0.78 -1.54 -0.36 0.00 0.00 175.35 173.78 3fg4 s SER 667 N 1.78 5.20 0.31 1.43 1.04 -0.42 -3.72 113.70 119.33 3fg4 s SER 667 Ca 0.11 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 3fg4 s SER 667 Cb -0.17 -0.75 -0.11 0.00 0.10 0.00 0.00 66.02 65.09 3fg4 s SER 667 CO 0.13 -1.20 1.46 -0.47 0.98 0.00 0.00 173.24 174.15 3fg4 s TYR 668 N -2.77 2.83 0.00 5.02 5.04 -0.36 -2.18 117.35 124.93 3fg4 s TYR 668 Ca 0.58 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3fg4 s TYR 668 Cb -0.10 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.30 3fg4 s TYR 668 CO 0.39 -2.82 0.00 0.41 -1.34 0.00 0.00 175.55 172.18 3fg4 n GLY 669 N 1.40 1.79 0.00 8.97 0.00 -1.26 -0.81 105.19 115.29 3fg4 n GLY 669 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3fg4 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 670 N -2.00 1.78 3.56 -0.02 0.00 -0.93 -4.95 105.19 102.64 3fg4 n GLY 670 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3fg4 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg4 n PRO 671 N -0.06 0.99 -4.28 1.61 -0.02 -1.25 -4.73 135.00 127.25 3fg4 n PRO 671 Ca 0.00 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 3fg4 n PRO 671 Cb 0.00 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 3fg4 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg4 s VAL 672 N -0.07 3.34 0.23 -1.45 1.01 -1.26 -1.30 120.40 120.89 3fg4 s VAL 672 Ca 0.77 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3fg4 s VAL 672 Cb -0.92 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 3fg4 s VAL 672 CO 0.52 0.47 1.46 -0.22 0.00 0.00 0.00 175.10 177.33 3fg4 s LEU 673 N 0.90 4.38 0.36 3.92 2.96 -0.17 -4.79 118.68 126.25 3fg4 s LEU 673 Ca -0.01 2.64 0.09 0.00 -0.22 0.00 0.00 54.13 56.62 3fg4 s LEU 673 Cb -0.15 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 3fg4 s LEU 673 CO 0.01 -0.72 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.66 3fg4 s GLU 674 N -0.04 1.91 0.49 1.98 2.02 0.85 -0.65 118.70 125.26 3fg4 s GLU 674 Ca 0.61 -1.93 0.24 0.00 0.02 0.00 0.00 54.97 53.91 3fg4 s GLU 674 Cb -0.42 -1.75 1.30 0.00 0.10 0.00 0.00 34.13 33.36 3fg4 s GLU 674 CO 0.40 0.09 1.90 0.38 0.02 0.00 0.00 175.26 178.06 3fg4 h ASP 675 N 1.90 0.17 0.27 -0.19 3.04 -1.98 -0.31 116.42 119.33 3fg4 h ASP 675 Ca -0.43 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 3fg4 h ASP 675 Cb 1.25 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 3fg4 h ASP 675 CO 0.72 0.07 -0.37 2.30 -2.04 0.00 0.00 179.24 179.92 3fg4 n ILE 676 N -4.39 0.00 0.00 4.15 -6.64 -1.26 -0.37 119.36 110.85 3fg4 n ILE 676 Ca 0.17 -0.10 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 3fg4 n ILE 676 Cb 0.76 0.45 0.00 0.00 -1.44 0.00 0.00 39.64 39.42 3fg4 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fg4 n GLY 677 N 1.39 0.72 3.21 3.28 0.00 -0.13 -4.93 105.19 108.73 3fg4 n GLY 677 Ca 0.10 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3fg4 n GLY 677 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg4 s TYR 678 N 0.00 1.52 0.90 1.61 1.51 -1.26 -0.11 117.35 121.52 3fg4 s TYR 678 Ca 0.00 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 3fg4 s TYR 678 Cb 0.00 -0.88 0.13 0.00 -0.11 0.00 0.00 41.96 41.10 3fg4 s TYR 678 CO 0.00 0.09 1.18 -1.59 -1.11 0.00 0.00 175.55 174.12 3fg4 s LYS 679 N -1.37 1.24 -0.35 -0.62 0.00 -1.26 -4.95 119.74 112.42 3fg4 s LYS 679 Ca 0.04 0.10 -0.27 0.00 0.00 0.00 0.00 55.97 55.84 3fg4 s LYS 679 Cb -0.09 -1.87 -0.05 0.00 0.00 0.00 0.00 37.83 35.83 3fg4 s LYS 679 CO 0.02 -2.09 2.17 0.14 0.00 0.00 0.00 175.35 175.59 3fg4 s VAL 680 N -3.47 3.12 0.00 1.79 -7.23 -1.26 -5.16 120.40 108.19 3fg4 s VAL 680 Ca 0.65 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 3fg4 s VAL 680 Cb -0.11 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.62 3fg4 s VAL 680 CO 0.52 -0.16 0.00 -2.65 -0.31 0.00 0.00 175.10 172.50 3fg4 n PRO 681 N 8.81 0.00 -0.12 4.82 -0.02 -1.26 -5.30 135.00 141.94 3fg4 n PRO 681 Ca 0.30 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 3fg4 n PRO 681 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.88 3fg4 n PRO 681 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fg4 n ASP 687 N 0.00 1.74 -2.58 2.55 -0.08 -1.26 -5.19 116.55 111.73 3fg4 n ASP 687 Ca 0.00 0.22 -0.12 0.00 -1.51 0.00 0.00 54.79 53.38 3fg4 n ASP 687 Cb 0.00 -0.63 -0.06 0.00 2.34 0.00 0.00 41.12 42.77 3fg4 n ASP 687 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3fg4 n GLU 688 N -3.90 1.44 -1.69 -0.67 -0.58 -1.26 -4.95 120.64 109.03 3fg4 n GLU 688 Ca -0.45 -0.87 -0.33 0.00 -0.42 0.00 0.00 57.16 55.09 3fg4 n GLU 688 Cb 0.84 -2.02 0.05 0.00 -0.57 0.00 0.00 31.44 29.74 3fg4 n GLU 688 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fg4 s ALA 689 N 2.49 2.42 -0.91 0.62 0.00 -1.26 -4.93 121.76 120.18 3fg4 s ALA 689 Ca 0.37 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.65 3fg4 s ALA 689 Cb 0.15 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3fg4 s ALA 689 CO -0.01 -1.37 1.53 0.34 0.00 0.00 0.00 175.76 176.25 3fg4 s ASP 690 N -2.58 6.12 -0.09 0.00 3.68 -1.26 -4.95 116.67 117.58 3fg4 s ASP 690 Ca 0.67 -0.99 0.04 0.00 2.13 0.00 0.00 52.55 54.40 3fg4 s ASP 690 Cb -0.21 -2.56 -0.00 0.00 -1.45 0.00 0.00 42.92 38.69 3fg4 s ASP 690 CO 0.43 -1.85 -0.24 -0.63 0.13 0.00 0.00 175.17 173.01 3fg4 s ILE 691 N 6.28 2.03 0.19 4.11 1.01 -1.26 -4.02 121.20 129.54 3fg4 s ILE 691 Ca 0.49 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 60.23 3fg4 s ILE 691 Cb -0.04 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3fg4 s ILE 691 CO -0.01 0.56 -0.20 -0.13 0.00 0.00 0.00 174.94 175.15 3fg4 s ARG 692 N 0.28 1.41 0.14 2.79 0.52 0.01 -4.59 118.95 119.51 3fg4 s ARG 692 Ca -0.17 -1.50 0.06 0.00 -0.52 0.00 0.00 55.73 53.60 3fg4 s ARG 692 Cb -0.17 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3fg4 s ARG 692 CO 0.08 0.32 -0.14 0.71 0.02 0.00 0.00 175.30 176.29 3fg4 s TYR 693 N -2.02 1.47 0.12 -0.53 1.51 -0.19 -4.45 117.35 113.26 3fg4 s TYR 693 Ca 0.19 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3fg4 s TYR 693 Cb -0.06 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3fg4 s TYR 693 CO 0.09 0.19 0.08 0.00 -1.11 0.00 0.00 175.55 174.79 3fg4 s ALA 695 N -2.41 -0.03 -0.47 0.00 0.00 -1.26 -4.96 121.76 112.63 3fg4 s ALA 695 Ca 0.11 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.23 3fg4 s ALA 695 Cb 0.01 0.99 0.29 0.00 0.00 0.00 0.00 23.12 24.40 3fg4 s ALA 695 CO 0.08 -0.72 0.69 0.00 0.00 0.00 0.00 175.76 175.80 3fg4 n ALA 696 N -0.29 3.06 -1.73 0.00 0.00 -1.14 -4.61 120.51 115.81 3fg4 n ALA 696 Ca -0.05 -3.92 -0.31 0.00 0.00 0.00 0.00 53.44 49.16 3fg4 n ALA 696 Cb 0.63 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 19.25 3fg4 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 697 N -2.11 3.38 0.08 0.00 0.04 -0.74 -3.33 135.00 132.31 3fg4 s PRO 697 Ca 0.39 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.41 3fg4 s PRO 697 Cb 0.22 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 3fg4 s PRO 697 CO -0.08 -0.75 -0.09 -0.51 0.04 0.00 0.00 177.00 175.61 3fg4 s LEU 698 N -5.06 3.09 -0.04 -3.56 1.02 0.03 -1.16 118.68 113.00 3fg4 s LEU 698 Ca 0.58 -0.32 -0.06 0.00 0.02 0.00 0.00 54.13 54.35 3fg4 s LEU 698 Cb -0.13 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.24 3fg4 s LEU 698 CO 0.49 0.20 0.14 0.00 0.02 0.00 0.00 176.35 177.20 3fg4 s ALA 699 N -1.17 -0.35 -0.01 4.21 0.00 -0.90 -0.84 121.76 122.70 3fg4 s ALA 699 Ca 0.21 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3fg4 s ALA 699 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3fg4 s ALA 699 CO 0.13 -0.11 -0.15 -1.17 0.00 0.00 0.00 175.76 174.45 3fg4 s LEU 700 N -0.34 2.70 0.08 0.00 2.96 0.20 -1.77 118.68 122.51 3fg4 s LEU 700 Ca -0.04 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3fg4 s LEU 700 Cb -0.03 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3fg4 s LEU 700 CO 0.01 0.31 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.92 3fg4 s PHE 701 N -0.81 0.76 -0.02 5.38 0.40 0.89 -0.00 117.98 124.57 3fg4 s PHE 701 Ca 0.13 -0.85 -0.00 0.00 -0.60 0.00 0.00 56.93 55.61 3fg4 s PHE 701 Cb -0.11 -0.46 0.03 0.00 0.51 0.00 0.00 43.02 43.00 3fg4 s PHE 701 CO 0.03 -0.18 0.03 -0.47 0.70 0.00 0.00 175.22 175.33 3fg4 s TYR 702 N -3.16 0.08 -0.49 0.36 5.04 0.82 -1.48 117.35 118.52 3fg4 s TYR 702 Ca 0.06 0.12 -0.27 0.00 -2.44 0.00 0.00 57.07 54.53 3fg4 s TYR 702 Cb 0.02 -0.29 0.03 0.00 0.35 0.00 0.00 41.96 42.07 3fg4 s TYR 702 CO -0.05 -0.11 1.05 0.08 -1.34 0.00 0.00 175.55 175.19 3fg4 s VAL 703 N 1.17 4.29 0.84 3.14 1.01 0.08 0.40 120.40 131.33 3fg4 s VAL 703 Ca -0.08 0.93 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 3fg4 s VAL 703 Cb -0.13 -4.55 0.20 0.00 0.00 0.00 0.00 36.38 31.89 3fg4 s VAL 703 CO -0.03 -1.00 1.02 -0.46 0.00 0.00 0.00 175.10 174.63 3fg4 n ASN 704 N 7.65 -0.46 0.27 3.32 0.23 -0.40 -4.84 115.26 121.04 3fg4 n ASN 704 Ca 0.09 -1.29 0.17 0.00 -0.53 0.00 0.00 54.58 53.01 3fg4 n ASN 704 Cb 0.49 -0.82 0.66 0.00 -2.08 0.00 0.00 39.78 38.03 3fg4 n ASN 704 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3fg4 h LYS 705 N 0.00 0.00 -0.00 -3.83 3.64 -1.89 -0.67 116.57 113.81 3fg4 h LYS 705 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3fg4 h LYS 705 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3fg4 h LYS 705 CO 0.24 0.00 -0.28 1.28 -2.27 0.00 0.00 179.45 178.41 3fg4 n LEU 706 N -3.06 0.71 0.00 5.20 4.77 -1.26 -4.93 117.00 118.42 3fg4 n LEU 706 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3fg4 n LEU 706 Cb 0.31 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3fg4 n LEU 706 CO 0.27 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3fg4 n GLY 707 N 1.38 0.85 3.74 -0.72 0.00 -0.26 -5.06 105.19 105.12 3fg4 n GLY 707 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3fg4 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 708 N -2.07 3.75 -0.40 1.61 3.76 -1.26 -4.60 115.29 116.08 3fg4 s HIS 708 Ca 0.00 1.51 -0.29 0.00 -0.15 0.00 0.00 55.06 56.14 3fg4 s HIS 708 Cb 0.00 -2.84 0.02 0.00 1.11 0.00 0.00 32.58 30.86 3fg4 s HIS 708 CO 0.00 0.27 1.22 -1.17 -0.85 0.00 0.00 174.74 174.21 3fg4 s LEU 709 N -0.09 3.72 -0.17 0.89 2.96 -1.26 -1.27 118.68 123.47 3fg4 s LEU 709 Ca 0.39 0.79 -0.06 0.00 -0.22 0.00 0.00 54.13 55.03 3fg4 s LEU 709 Cb -0.21 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 3fg4 s LEU 709 CO 0.24 -1.20 0.05 -0.04 -1.32 0.00 0.00 176.35 174.08 3fg4 s MET 710 N 4.37 3.82 -0.02 1.98 -1.94 0.16 -4.09 119.30 123.59 3fg4 s MET 710 Ca 0.52 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 53.84 3fg4 s MET 710 Cb -0.11 -3.14 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 3fg4 s MET 710 CO 0.27 0.34 1.38 -1.25 -0.01 0.00 0.00 175.02 175.76 3fg4 s PRO 711 N 0.17 4.28 -0.00 2.03 0.04 -1.26 -0.13 135.00 140.13 3fg4 s PRO 711 Ca 0.04 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3fg4 s PRO 711 Cb -0.12 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 3fg4 s PRO 711 CO 0.01 -0.58 0.05 0.44 0.04 0.00 0.00 177.00 176.96 3fg4 n ILE 712 N 4.72 0.00 -3.64 0.56 -5.35 1.00 -4.66 119.36 111.99 3fg4 n ILE 712 Ca 0.13 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 3fg4 n ILE 712 Cb 0.44 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 3fg4 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg4 s ALA 713 N -1.48 -2.03 -0.04 -1.28 0.00 -1.17 -4.30 121.76 111.46 3fg4 s ALA 713 Ca 0.00 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.89 3fg4 s ALA 713 Cb 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.64 3fg4 s ALA 713 CO 0.06 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 175.93 3fg4 s ILE 714 N 0.36 0.74 -0.18 0.00 1.01 0.02 0.61 121.20 123.76 3fg4 s ILE 714 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3fg4 s ILE 714 Cb -0.05 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.74 3fg4 s ILE 714 CO -0.08 0.26 -0.18 -1.58 0.00 0.00 0.00 174.94 173.35 3fg4 s GLN 715 N 0.59 3.03 0.29 2.79 0.74 -0.02 -1.16 119.66 125.93 3fg4 s GLN 715 Ca -0.09 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.53 3fg4 s GLN 715 Cb -0.13 -2.61 0.45 0.00 1.10 0.00 0.00 33.01 31.82 3fg4 s GLN 715 CO 0.01 -0.20 1.76 0.82 -0.55 0.00 0.00 175.29 177.13 3fg4 h ILE 716 N 5.91 1.25 -2.32 -2.34 2.04 -1.82 0.11 117.51 120.34 3fg4 h ILE 716 Ca -0.45 -1.13 -0.58 0.00 1.00 0.00 0.00 64.86 63.70 3fg4 h ILE 716 Cb 1.15 1.22 -0.13 0.00 -0.74 0.00 0.00 36.82 38.31 3fg4 h ILE 716 CO 0.63 0.37 -0.51 0.20 0.00 0.00 0.00 178.15 178.84 3fg4 s ASN 717 N -6.78 3.02 0.23 1.72 0.01 -1.26 -1.80 114.94 110.07 3fg4 s ASN 717 Ca -0.07 -1.70 0.03 0.00 -0.71 0.00 0.00 52.86 50.41 3fg4 s ASN 717 Cb 0.14 0.55 0.23 0.00 0.41 0.00 0.00 41.25 42.58 3fg4 s ASN 717 CO 0.79 -0.95 1.56 1.56 -1.51 0.00 0.00 177.10 178.55 3fg4 h GLN 718 N 1.70 0.33 -4.28 -0.60 1.08 -1.45 -3.42 115.11 108.46 3fg4 h GLN 718 Ca -0.36 -0.21 -0.73 0.00 -1.45 0.00 0.00 58.65 55.90 3fg4 h GLN 718 Cb 1.28 0.03 -0.27 0.00 -0.05 0.00 0.00 27.48 28.47 3fg4 h GLN 718 CO 0.58 0.81 -0.36 -2.00 -0.95 0.00 0.00 178.83 176.91 3fg4 s GLU 719 N -3.86 2.69 0.73 1.46 2.56 0.50 -4.81 118.70 117.98 3fg4 s GLU 719 Ca -0.05 -1.63 -0.16 0.00 0.00 0.00 0.00 54.97 53.13 3fg4 s GLU 719 Cb 0.12 -4.01 0.03 0.00 2.00 0.00 0.00 34.13 32.27 3fg4 s GLU 719 CO 0.81 -1.15 1.19 -0.35 -0.56 0.00 0.00 175.26 175.20 3fg4 n PRO 720 N 5.03 0.59 0.00 4.30 -0.04 -1.26 -4.70 135.00 138.93 3fg4 n PRO 720 Ca -0.10 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3fg4 n PRO 720 Cb 0.41 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3fg4 n PRO 720 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fg4 n GLY 721 N 0.79 0.73 0.31 0.55 0.00 -1.16 -4.90 105.19 101.51 3fg4 n GLY 721 Ca 0.14 -1.16 0.15 0.00 0.00 0.00 0.00 46.02 45.15 3fg4 n GLY 721 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fg4 h PRO 722 N 0.00 0.00 -0.01 1.61 0.11 -1.95 -0.57 132.00 131.20 3fg4 h PRO 722 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fg4 h PRO 722 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fg4 h PRO 722 CO 0.00 0.00 -0.11 0.39 -0.21 0.00 0.00 178.00 178.07 3fg4 n GLU 723 N -3.99 1.24 -3.01 1.05 1.02 -1.26 -4.31 120.64 111.37 3fg4 n GLU 723 Ca -0.00 -0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 56.28 3fg4 n GLU 723 Cb 0.22 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3fg4 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg4 n ASN 724 N -0.28 -0.85 -2.56 1.62 5.15 -0.25 -4.40 115.26 113.69 3fg4 n ASN 724 Ca 0.16 -3.07 -0.07 0.00 -0.60 0.00 0.00 54.58 51.00 3fg4 n ASN 724 Cb 0.34 0.38 0.04 0.00 -0.53 0.00 0.00 39.78 40.01 3fg4 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fg4 n PRO 725 N 1.08 0.02 -3.57 1.20 -0.04 -1.04 -2.98 135.00 129.67 3fg4 n PRO 725 Ca 0.17 -0.61 -0.38 0.00 -0.04 0.00 0.00 63.50 62.64 3fg4 n PRO 725 Cb 0.61 -0.27 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 3fg4 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg4 s ILE 726 N -1.22 5.29 -0.05 0.52 1.01 -1.26 -4.37 121.20 121.12 3fg4 s ILE 726 Ca 0.18 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3fg4 s ILE 726 Cb -0.01 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3fg4 s ILE 726 CO 0.12 0.24 0.22 0.26 0.00 0.00 0.00 174.94 175.78 3fg4 s TRP 727 N 1.79 3.60 0.22 3.97 0.52 -0.31 -4.96 118.94 123.78 3fg4 s TRP 727 Ca 0.08 0.58 0.02 0.00 0.02 0.00 0.00 56.10 56.80 3fg4 s TRP 727 Cb -0.16 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 3fg4 s TRP 727 CO 0.11 0.67 0.04 0.95 0.02 0.00 0.00 176.95 178.74 3fg4 s THR 728 N -1.16 0.75 -1.42 2.01 -4.23 -1.26 -0.80 115.64 109.52 3fg4 s THR 728 Ca 0.22 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 3fg4 s THR 728 Cb -0.13 -2.39 0.15 0.00 1.34 0.00 0.00 72.50 71.47 3fg4 s THR 728 CO 0.11 -0.25 1.15 -0.81 -0.54 0.00 0.00 174.62 174.28 3fg4 n PRO 729 N -0.38 0.12 -0.69 3.99 -0.04 -1.26 -2.73 135.00 134.00 3fg4 n PRO 729 Ca -0.04 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 3fg4 n PRO 729 Cb 0.65 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.95 3fg4 n PRO 729 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fg4 n HIS 730 N -1.29 1.63 -1.52 0.54 8.25 -1.26 -4.99 115.22 116.58 3fg4 n HIS 730 Ca 0.04 -0.60 -0.48 0.00 -0.26 0.00 0.00 57.72 56.43 3fg4 n HIS 730 Cb 0.07 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 3fg4 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg4 n GLU 731 N 0.76 0.76 -0.20 -0.41 -0.58 -1.10 -4.85 120.64 115.01 3fg4 n GLU 731 Ca 0.24 0.27 -0.05 0.00 -0.42 0.00 0.00 57.16 57.19 3fg4 n GLU 731 Cb 0.97 -1.54 0.11 0.00 -0.57 0.00 0.00 31.44 30.40 3fg4 n GLU 731 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3fg4 h GLU 732 N 2.02 1.01 -4.59 3.49 4.39 -1.94 -3.34 114.58 115.62 3fg4 h GLU 732 Ca -0.37 -0.23 -0.71 0.00 0.34 0.00 0.00 59.36 58.38 3fg4 h GLU 732 Cb 1.38 -0.14 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 3fg4 h GLU 732 CO 0.62 0.90 -0.13 1.21 -1.16 0.00 0.00 179.01 180.45 3fg4 s ASN 733 N -6.51 6.18 0.48 1.42 2.47 -1.26 -4.96 114.94 112.76 3fg4 s ASN 733 Ca -0.11 -1.19 0.22 0.00 0.42 0.00 0.00 52.86 52.20 3fg4 s ASN 733 Cb 0.15 -2.24 1.25 0.00 -1.45 0.00 0.00 41.25 38.96 3fg4 s ASN 733 CO 0.83 -0.80 1.92 1.05 -3.72 0.00 0.00 177.10 176.38 3fg4 h GLU 734 N 8.89 0.20 0.00 0.43 4.11 -1.96 -0.65 114.58 125.61 3fg4 h GLU 734 Ca -0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 3fg4 h GLU 734 Cb 1.10 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fg4 h GLU 734 CO 0.94 0.13 -0.15 0.45 0.07 0.00 0.00 179.01 180.45 3fg4 h HIS 735 N 0.21 0.00 -0.19 2.06 3.86 -1.93 -2.70 115.15 116.47 3fg4 h HIS 735 Ca 0.37 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.44 3fg4 h HIS 735 Cb 1.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3fg4 h HIS 735 CO -0.00 0.15 -0.48 -0.44 0.86 0.00 0.00 177.93 178.02 3fg4 h ASP 736 N 0.00 0.53 -0.01 2.45 3.32 -1.39 -1.31 116.42 120.01 3fg4 h ASP 736 Ca -0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3fg4 h ASP 736 Cb 0.37 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fg4 h ASP 736 CO 0.02 0.93 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.20 3fg4 h TRP 737 N 0.39 0.03 -0.49 4.55 -0.00 -1.61 -2.25 115.95 116.57 3fg4 h TRP 737 Ca 0.02 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 58.98 3fg4 h TRP 737 Cb 0.99 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.16 30.04 3fg4 h TRP 737 CO 0.04 0.60 -0.37 1.98 -0.00 0.00 0.00 178.44 180.68 3fg4 h MET 738 N -0.55 -0.23 -0.90 2.65 4.05 -1.51 -1.40 114.93 117.05 3fg4 h MET 738 Ca 0.00 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 3fg4 h MET 738 Cb 0.60 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.39 3fg4 h MET 738 CO 0.00 -0.15 0.59 1.98 0.23 0.00 0.00 176.91 179.56 3fg4 h MET 739 N -0.24 1.00 -0.83 0.39 1.85 -1.26 -0.83 114.93 115.01 3fg4 h MET 739 Ca 0.18 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 3fg4 h MET 739 Cb 0.56 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 32.32 3fg4 h MET 739 CO -0.61 0.66 0.49 0.00 -0.40 0.00 0.00 176.91 177.05 3fg4 h ALA 740 N 1.51 1.06 -0.51 0.39 0.00 -0.87 0.02 119.26 120.85 3fg4 h ALA 740 Ca 0.39 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3fg4 h ALA 740 Cb 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3fg4 h ALA 740 CO -0.14 0.53 -0.06 0.87 0.00 0.00 0.00 179.25 180.44 3fg4 h LYS 741 N 1.14 0.91 -0.56 0.00 1.57 -0.12 -1.17 116.57 118.34 3fg4 h LYS 741 Ca 0.30 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3fg4 h LYS 741 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3fg4 h LYS 741 CO -0.05 0.94 0.20 0.74 -0.57 0.00 0.00 179.45 180.71 3fg4 h PHE 742 N 0.83 0.87 -0.77 -1.35 0.05 -0.60 0.58 116.94 116.54 3fg4 h PHE 742 Ca 0.14 -0.08 -0.04 0.00 3.82 0.00 0.00 57.97 61.81 3fg4 h PHE 742 Cb 0.58 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.24 3fg4 h PHE 742 CO 0.03 0.72 0.31 -1.49 -0.18 0.00 0.00 178.31 177.70 3fg4 h TRP 743 N 0.76 1.16 -0.59 -0.55 4.06 -0.79 0.26 115.95 120.27 3fg4 h TRP 743 Ca 0.18 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.97 3fg4 h TRP 743 Cb 0.24 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 3fg4 h TRP 743 CO 0.01 0.88 0.06 1.25 -3.56 0.00 0.00 178.44 177.08 3fg4 h LEU 744 N 1.12 0.94 -1.04 -4.49 5.85 -0.95 -2.85 115.31 113.89 3fg4 h LEU 744 Ca 0.26 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3fg4 h LEU 744 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3fg4 h LEU 744 CO -0.02 0.96 0.19 1.23 -0.34 0.00 0.00 178.44 180.46 3fg4 h GLY 745 N 1.02 0.94 0.86 3.75 0.00 -0.06 -1.99 103.07 107.59 3fg4 h GLY 745 Ca 0.18 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3fg4 h GLY 745 CO 0.02 0.48 -0.16 -0.24 0.00 0.00 0.00 176.54 176.64 3fg4 h VAL 746 N 0.85 1.31 -0.58 4.60 3.04 -0.84 -1.62 116.25 123.01 3fg4 h VAL 746 Ca 0.19 -1.27 0.12 0.00 -1.01 0.00 0.00 66.70 64.73 3fg4 h VAL 746 Cb 0.24 1.61 -0.11 0.00 -2.01 0.00 0.00 31.29 31.02 3fg4 h VAL 746 CO -0.01 0.40 -0.16 0.00 -1.01 0.00 0.00 177.57 176.79 3fg4 h ALA 747 N 0.70 0.36 -0.49 3.17 0.00 -1.46 -2.43 119.26 119.12 3fg4 h ALA 747 Ca 0.05 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3fg4 h ALA 747 Cb 0.68 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3fg4 h ALA 747 CO 0.04 -0.44 0.12 1.49 0.00 0.00 0.00 179.25 180.47 3fg4 h GLU 748 N -0.01 0.79 -0.21 0.00 4.81 -1.17 -0.88 114.58 117.90 3fg4 h GLU 748 Ca 0.28 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3fg4 h GLU 748 Cb 0.44 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3fg4 h GLU 748 CO -0.61 0.76 0.09 0.77 -0.73 0.00 0.00 179.01 179.29 3fg4 h SER 749 N 0.67 0.29 -0.25 1.04 0.02 -1.16 0.67 113.55 114.84 3fg4 h SER 749 Ca 0.16 -0.16 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3fg4 h SER 749 Cb 0.32 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3fg4 h SER 749 CO 0.00 0.38 -0.55 0.78 -1.14 0.00 0.00 176.83 176.29 3fg4 h ASN 750 N 0.19 0.93 -0.15 3.07 4.21 -1.28 -1.96 115.58 120.59 3fg4 h ASN 750 Ca 0.07 -0.55 0.04 0.00 1.21 0.00 0.00 56.30 57.07 3fg4 h ASN 750 Cb 0.17 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.07 3fg4 h ASN 750 CO -0.01 1.31 -0.10 0.15 -1.29 0.00 0.00 177.43 177.49 3fg4 h PHE 751 N 0.59 -0.24 0.28 1.19 3.57 -1.07 -2.69 116.94 118.56 3fg4 h PHE 751 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3fg4 h PHE 751 Cb 1.17 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 3fg4 h PHE 751 CO 0.08 -0.15 -0.18 1.25 -2.23 0.00 0.00 178.31 177.07 3fg4 h HIS 752 N -0.10 -0.47 -0.31 0.41 2.76 0.49 -1.46 115.15 116.47 3fg4 h HIS 752 Ca 0.09 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3fg4 h HIS 752 Cb 0.24 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3fg4 h HIS 752 CO -0.23 -0.28 0.16 1.96 -1.30 0.00 0.00 177.93 178.24 3fg4 h GLN 753 N -0.45 0.43 0.01 5.26 4.20 -1.43 0.35 115.11 123.49 3fg4 h GLN 753 Ca -0.03 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3fg4 h GLN 753 Cb 0.38 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3fg4 h GLN 753 CO 0.02 0.38 -0.56 -0.07 -0.67 0.00 0.00 178.83 177.93 3fg4 h LEU 754 N 0.37 0.03 0.00 1.46 3.38 -1.51 -1.10 115.31 117.95 3fg4 h LEU 754 Ca 0.11 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 3fg4 h LEU 754 Cb 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3fg4 h LEU 754 CO -0.02 1.22 -0.70 -3.20 0.09 0.00 0.00 178.44 175.83 3fg4 n ASN 755 N -4.50 1.82 -0.07 -0.43 5.15 -0.59 -0.55 115.26 116.10 3fg4 n ASN 755 Ca -0.19 0.59 -0.11 0.00 -0.60 0.00 0.00 54.58 54.26 3fg4 n ASN 755 Cb 0.58 -0.89 -0.05 0.00 -0.53 0.00 0.00 39.78 38.89 3fg4 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg4 h THR 756 N -1.00 1.24 0.00 -0.44 2.02 -1.05 0.11 112.91 113.78 3fg4 h THR 756 Ca -0.09 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3fg4 h THR 756 Cb 0.71 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3fg4 h THR 756 CO -0.05 0.25 -0.11 1.57 0.37 0.00 0.00 175.52 177.54 3fg4 n HIS 757 N -4.71 0.17 0.31 3.16 -0.00 0.12 -3.95 115.22 110.31 3fg4 n HIS 757 Ca -0.04 0.08 -0.17 0.00 -0.00 0.00 0.00 57.72 57.59 3fg4 n HIS 757 Cb 0.21 -0.33 -0.09 0.00 -0.00 0.00 0.00 29.99 29.78 3fg4 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg4 h LEU 758 N -0.20 -0.63 0.14 0.27 5.85 -1.23 -2.03 115.31 117.48 3fg4 h LEU 758 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fg4 h LEU 758 Cb 0.11 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3fg4 h LEU 758 CO 0.00 -0.41 -0.07 0.25 -0.34 0.00 0.00 178.44 177.87 3fg4 h LEU 759 N -0.80 -0.16 -0.07 2.25 5.85 -0.81 -0.47 115.31 121.10 3fg4 h LEU 759 Ca -0.08 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3fg4 h LEU 759 Cb 0.59 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3fg4 h LEU 759 CO 0.12 0.37 -0.06 0.54 -0.34 0.00 0.00 178.44 179.07 3fg4 n ARG 760 N -4.93 0.43 0.00 1.25 1.74 0.36 -1.65 116.66 113.86 3fg4 n ARG 760 Ca -0.08 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3fg4 n ARG 760 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3fg4 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg4 n THR 761 N -1.23 0.00 0.00 0.55 -2.24 -0.77 -4.72 114.28 105.88 3fg4 n THR 761 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3fg4 n THR 761 Cb 0.27 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3fg4 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg4 n HIS 762 N -0.50 0.00 0.06 4.78 8.25 -1.19 -1.64 115.22 124.98 3fg4 n HIS 762 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 3fg4 n HIS 762 Cb 0.00 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.61 3fg4 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg4 h LEU 763 N 0.00 0.79 -0.09 2.41 3.38 -0.99 -1.15 115.31 119.66 3fg4 h LEU 763 Ca 0.00 -0.66 -0.07 0.00 0.09 0.00 0.00 57.88 57.23 3fg4 h LEU 763 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3fg4 h LEU 763 CO 0.00 1.47 -0.24 0.71 0.09 0.00 0.00 178.44 180.47 3fg4 h THR 764 N 0.32 1.41 0.00 0.22 1.35 -1.34 -3.26 112.91 111.60 3fg4 h THR 764 Ca -0.13 -1.57 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 3fg4 h THR 764 Cb 1.72 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 70.33 3fg4 h THR 764 CO 0.20 0.45 -0.24 0.71 -0.25 0.00 0.00 175.52 176.39 3fg4 h THR 765 N -0.15 0.91 -1.00 6.82 1.35 -1.30 -2.90 112.91 116.64 3fg4 h THR 765 Ca -0.00 -0.92 0.22 0.00 -0.55 0.00 0.00 66.41 65.16 3fg4 h THR 765 Cb 0.85 1.53 -0.10 0.00 -1.73 0.00 0.00 68.15 68.70 3fg4 h THR 765 CO 0.05 0.24 0.62 -0.08 -0.25 0.00 0.00 175.52 176.10 3fg4 h GLU 766 N 0.00 0.58 -0.60 4.72 4.81 -1.25 -1.42 114.58 121.42 3fg4 h GLU 766 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3fg4 h GLU 766 Cb 0.52 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3fg4 h GLU 766 CO 0.03 0.38 0.40 0.77 -0.73 0.00 0.00 179.01 179.86 3fg4 h SER 767 N 0.60 0.68 -0.31 1.04 0.02 -1.55 -0.01 113.55 114.02 3fg4 h SER 767 Ca 0.57 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.39 3fg4 h SER 767 Cb 1.13 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3fg4 h SER 767 CO -0.34 0.49 -0.23 -0.26 -1.14 0.00 0.00 176.83 175.35 3fg4 h PHE 768 N 0.81 0.92 -0.17 3.45 -1.00 -1.49 -1.11 116.94 118.34 3fg4 h PHE 768 Ca 0.22 -0.22 0.04 0.00 2.81 0.00 0.00 57.97 60.83 3fg4 h PHE 768 Cb -0.08 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.22 3fg4 h PHE 768 CO -0.03 0.96 -0.07 0.00 -1.61 0.00 0.00 178.31 177.55 3fg4 h ALA 769 N 1.04 0.08 -0.48 2.45 0.00 -0.87 -1.19 119.26 120.29 3fg4 h ALA 769 Ca 0.09 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fg4 h ALA 769 Cb 0.76 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3fg4 h ALA 769 CO 0.06 -0.51 0.31 1.25 0.00 0.00 0.00 179.25 180.36 3fg4 h LEU 770 N -0.04 0.52 -1.67 0.00 5.85 -0.95 -1.74 115.31 117.27 3fg4 h LEU 770 Ca 0.09 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3fg4 h LEU 770 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3fg4 h LEU 770 CO -0.20 0.37 -0.13 -1.28 -0.34 0.00 0.00 178.44 176.86 3fg4 h SER 771 N 0.62 0.04 -0.36 1.25 0.87 -1.03 -1.41 113.55 113.53 3fg4 h SER 771 Ca 0.18 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3fg4 h SER 771 Cb -0.04 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3fg4 h SER 771 CO -0.06 0.18 -0.09 0.74 -0.53 0.00 0.00 176.83 177.08 3fg4 h THR 772 N 0.04 1.28 -0.48 2.23 2.02 -0.29 -1.35 112.91 116.35 3fg4 h THR 772 Ca 0.01 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3fg4 h THR 772 Cb 0.26 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3fg4 h THR 772 CO 0.02 0.38 0.26 -0.50 0.37 0.00 0.00 175.52 176.05 3fg4 h TRP 773 N 0.49 0.66 -0.70 3.16 4.06 -1.18 -1.84 115.95 120.60 3fg4 h TRP 773 Ca 0.09 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 3fg4 h TRP 773 Cb 0.59 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 3fg4 h TRP 773 CO 0.05 0.50 0.41 0.00 -3.56 0.00 0.00 178.44 175.83 3fg4 h ARG 774 N 0.63 0.96 0.00 0.49 3.08 -1.16 -3.39 114.38 114.99 3fg4 h ARG 774 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3fg4 h ARG 774 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3fg4 h ARG 774 CO -0.03 0.69 -1.11 0.09 -1.07 0.00 0.00 179.97 178.54 3fg4 n ASN 775 N -4.53 4.17 -4.47 7.04 3.02 -0.52 -4.44 115.26 115.52 3fg4 n ASN 775 Ca 0.06 -0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 3fg4 n ASN 775 Cb 0.07 1.14 -0.12 0.00 -0.61 0.00 0.00 39.78 40.26 3fg4 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 776 N -3.19 3.43 0.55 3.41 1.43 -0.70 -4.70 118.68 118.92 3fg4 s LEU 776 Ca -0.01 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 3fg4 s LEU 776 Cb 0.02 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3fg4 s LEU 776 CO 0.13 0.03 1.14 0.00 0.23 0.00 0.00 176.35 177.88 3fg4 s ALA 777 N 1.22 2.66 0.59 4.21 0.00 -1.26 -4.75 121.76 124.43 3fg4 s ALA 777 Ca 0.04 0.86 0.29 0.00 0.00 0.00 0.00 51.96 53.14 3fg4 s ALA 777 Cb -0.14 -3.38 1.71 0.00 0.00 0.00 0.00 23.12 21.31 3fg4 s ALA 777 CO 0.03 -0.85 2.17 0.66 0.00 0.00 0.00 175.76 177.76 3fg4 h SER 778 N 1.12 0.00 0.52 0.00 4.64 -1.96 0.43 113.55 118.30 3fg4 h SER 778 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fg4 h SER 778 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3fg4 h SER 778 CO 0.56 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.44 3fg4 n ALA 779 N -2.34 2.67 -2.39 5.18 0.00 -1.26 -4.69 120.51 117.68 3fg4 n ALA 779 Ca -0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3fg4 n ALA 779 Cb 0.22 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3fg4 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s HIS 780 N -2.60 3.40 0.44 0.00 5.04 0.15 -1.13 115.29 120.59 3fg4 s HIS 780 Ca 0.26 1.25 0.18 0.00 -1.54 0.00 0.00 55.06 55.21 3fg4 s HIS 780 Cb 0.20 -3.45 1.11 0.00 0.04 0.00 0.00 32.58 30.48 3fg4 s HIS 780 CO 0.49 -1.42 1.92 -1.00 -2.34 0.00 0.00 174.74 172.39 3fg4 h PRO 781 N 6.83 0.34 0.00 2.88 0.13 -1.87 -1.92 132.00 138.40 3fg4 h PRO 781 Ca -0.41 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 3fg4 h PRO 781 Cb 1.21 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3fg4 h PRO 781 CO 0.82 0.23 -0.64 0.82 -0.23 0.00 0.00 178.00 179.00 3fg4 h ILE 782 N 0.35 1.05 -0.59 -3.56 1.08 -1.93 -0.51 117.51 113.40 3fg4 h ILE 782 Ca 0.37 -2.49 0.01 0.00 -0.39 0.00 0.00 64.86 62.37 3fg4 h ILE 782 Cb 0.95 2.51 -0.03 0.00 -3.07 0.00 0.00 36.82 37.18 3fg4 h ILE 782 CO -0.11 0.60 0.38 0.15 -0.69 0.00 0.00 178.15 178.48 3fg4 h PHE 783 N 0.00 0.72 -0.23 1.37 3.57 -1.63 -1.64 116.94 119.10 3fg4 h PHE 783 Ca -0.01 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 3fg4 h PHE 783 Cb 1.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3fg4 h PHE 783 CO 0.00 0.44 -0.47 0.87 -2.23 0.00 0.00 178.31 176.92 3fg4 h LYS 784 N 0.77 0.62 -0.64 1.11 1.57 -0.89 -2.12 116.57 116.99 3fg4 h LYS 784 Ca 0.22 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3fg4 h LYS 784 Cb -0.06 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3fg4 h LYS 784 CO -0.06 0.96 0.30 1.25 -0.57 0.00 0.00 179.45 181.32 3fg4 h LEU 785 N 0.49 0.85 0.00 2.94 5.85 -1.11 -3.31 115.31 121.02 3fg4 h LEU 785 Ca 0.03 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 3fg4 h LEU 785 Cb 1.01 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3fg4 h LEU 785 CO 0.09 0.76 -0.69 -0.07 -0.34 0.00 0.00 178.44 178.19 3fg4 h LEU 786 N 0.89 0.00 -0.51 2.25 3.38 -1.07 -3.38 115.31 116.87 3fg4 h LEU 786 Ca 0.22 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.29 3fg4 h LEU 786 Cb 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 3fg4 h LEU 786 CO -0.03 0.36 -0.03 -0.61 0.09 0.00 0.00 178.44 178.23 3fg4 h GLN 787 N 0.00 0.09 0.00 1.13 4.15 -1.48 0.16 115.11 119.16 3fg4 h GLN 787 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3fg4 h GLN 787 Cb 1.31 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 3fg4 h GLN 787 CO 0.04 0.06 -0.07 -1.00 -1.93 0.00 0.00 178.83 175.93 3fg4 h PRO 788 N 0.09 0.00 0.00 -2.39 0.13 -1.79 -3.14 132.00 124.90 3fg4 h PRO 788 Ca 0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.22 3fg4 h PRO 788 Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 3fg4 h PRO 788 CO -0.45 0.07 -1.81 0.72 -0.23 0.00 0.00 178.00 176.30 3fg4 n HIS 789 N -3.29 0.47 0.31 1.56 8.25 0.23 -4.13 115.22 118.62 3fg4 n HIS 789 Ca -0.01 0.16 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 3fg4 n HIS 789 Cb 0.27 -0.91 0.14 0.00 1.12 0.00 0.00 29.99 30.61 3fg4 n HIS 789 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3fg4 h ILE 790 N 0.00 0.00 -2.99 1.59 3.07 -0.82 -3.39 117.51 114.96 3fg4 h ILE 790 Ca -0.22 -0.83 -0.57 0.00 1.55 0.00 0.00 64.86 64.79 3fg4 h ILE 790 Cb 1.59 1.57 0.10 0.00 -0.27 0.00 0.00 36.82 39.81 3fg4 h ILE 790 CO 0.03 0.00 0.55 0.00 -1.05 0.00 0.00 178.15 177.68 3fg4 n TYR 791 N -2.65 2.21 0.00 0.16 9.36 -1.19 -3.07 117.16 121.98 3fg4 n TYR 791 Ca 0.03 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.74 3fg4 n TYR 791 Cb 0.51 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 3fg4 n TYR 791 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg4 n GLY 792 N 1.45 3.09 0.30 2.98 0.00 -1.26 -4.24 105.19 107.52 3fg4 n GLY 792 Ca 0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 3fg4 n GLY 792 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fg4 h VAL 793 N 0.00 1.26 -0.54 1.61 3.04 -1.21 -0.47 116.25 119.94 3fg4 h VAL 793 Ca 0.00 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.55 3fg4 h VAL 793 Cb 0.00 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 3fg4 h VAL 793 CO 0.00 0.40 0.14 -0.07 -1.01 0.00 0.00 177.57 177.03 3fg4 h LEU 794 N 0.93 0.81 0.64 3.16 3.38 -1.84 -1.08 115.31 121.30 3fg4 h LEU 794 Ca 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3fg4 h LEU 794 Cb 0.50 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3fg4 h LEU 794 CO 0.02 0.83 -0.31 0.00 0.09 0.00 0.00 178.44 179.07 3fg4 h ALA 795 N 1.02 -0.86 -0.37 1.53 0.00 -1.32 -1.48 119.26 117.77 3fg4 h ALA 795 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3fg4 h ALA 795 Cb 0.32 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fg4 h ALA 795 CO 0.00 -0.87 0.03 0.97 0.00 0.00 0.00 179.25 179.38 3fg4 h ILE 796 N -1.10 1.20 -0.13 0.00 6.09 -1.19 -1.80 117.51 120.57 3fg4 h ILE 796 Ca -0.09 -0.76 -0.12 0.00 -1.37 0.00 0.00 64.86 62.52 3fg4 h ILE 796 Cb 0.70 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 3fg4 h ILE 796 CO 0.14 0.27 -0.43 0.44 -3.07 0.00 0.00 178.15 175.50 3fg4 h ASP 797 N 0.55 0.33 -0.35 2.19 3.32 -1.11 -0.65 116.42 120.70 3fg4 h ASP 797 Ca 0.12 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 3fg4 h ASP 797 Cb 0.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3fg4 h ASP 797 CO 0.01 0.73 -0.29 0.74 -1.72 0.00 0.00 179.24 178.71 3fg4 h THR 798 N 0.26 1.29 -0.07 0.35 2.02 -0.93 -1.10 112.91 114.72 3fg4 h THR 798 Ca 0.02 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.75 3fg4 h THR 798 Cb 0.88 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3fg4 h THR 798 CO 0.07 0.48 0.04 0.40 0.37 0.00 0.00 175.52 176.88 3fg4 h ILE 799 N 0.60 1.01 -0.77 3.11 2.04 -1.16 -2.76 117.51 119.59 3fg4 h ILE 799 Ca 0.06 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3fg4 h ILE 799 Cb 0.86 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3fg4 h ILE 799 CO 0.07 0.02 0.50 1.23 0.00 0.00 0.00 178.15 179.97 3fg4 h GLY 800 N 0.09 1.11 1.84 5.37 0.00 -1.04 -0.57 103.07 109.86 3fg4 h GLY 800 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3fg4 h GLY 800 CO -0.01 0.35 0.08 3.21 0.00 0.00 0.00 176.54 180.17 3fg4 h ARG 801 N 1.00 0.00 0.00 4.80 3.08 -0.90 -3.26 114.38 119.10 3fg4 h ARG 801 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3fg4 h ARG 801 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3fg4 h ARG 801 CO -0.09 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.44 3fg4 n LYS 802 N -3.00 0.00 -1.51 0.04 4.01 -0.33 -5.11 118.16 112.25 3fg4 n LYS 802 Ca -0.03 0.08 -0.29 0.00 -0.51 0.00 0.00 58.31 57.57 3fg4 n LYS 802 Cb 0.14 -0.41 -0.16 0.00 -0.51 0.00 0.00 35.03 34.09 3fg4 n LYS 802 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3fg4 n GLU 803 N -1.45 0.21 0.00 1.97 4.71 -0.56 -4.89 120.64 120.63 3fg4 n GLU 803 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 3fg4 n GLU 803 Cb 0.00 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.58 3fg4 n GLU 803 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3fg4 n GLY 808 N 6.09 0.00 0.00 0.62 0.00 -1.26 -4.57 105.19 106.07 3fg4 n GLY 808 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3fg4 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 809 N 0.00 0.33 2.76 -0.02 0.00 -1.26 -4.80 105.19 102.20 3fg4 n GLY 809 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 3fg4 n GLY 809 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fg4 s ILE 810 N 0.00 -0.29 0.00 -0.61 -5.25 -1.26 -3.15 121.20 110.63 3fg4 s ILE 810 Ca 0.00 -0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.62 3fg4 s ILE 810 Cb 0.00 -0.60 0.00 0.00 2.95 0.00 0.00 42.46 44.81 3fg4 s ILE 810 CO 0.00 -0.15 0.00 0.55 -1.79 0.00 0.00 174.94 173.55 3fg4 n VAL 811 N 5.32 0.00 -0.44 8.37 3.14 -1.26 -4.95 118.33 128.50 3fg4 n VAL 811 Ca -0.06 0.00 0.38 0.00 -2.96 0.00 0.00 64.34 61.70 3fg4 n VAL 811 Cb 0.50 0.00 0.65 0.00 -1.06 0.00 0.00 33.84 33.93 3fg4 n VAL 811 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3fg4 h ASP 812 N 0.00 0.24 -0.01 6.55 3.45 -1.87 0.99 116.42 125.77 3fg4 h ASP 812 Ca 0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3fg4 h ASP 812 Cb 0.00 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3fg4 h ASP 812 CO 0.00 -0.25 -0.27 0.00 -1.57 0.00 0.00 179.24 177.15 3fg4 n GLN 813 N -4.79 1.63 0.00 3.56 10.64 -1.19 -4.55 117.38 122.68 3fg4 n GLN 813 Ca 0.39 -1.32 0.00 0.00 -1.83 0.00 0.00 57.00 54.24 3fg4 n GLN 813 Cb 1.48 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3fg4 n GLN 813 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3fg4 n SER 814 N 0.47 0.23 -4.28 2.61 3.41 0.31 -4.79 113.62 111.57 3fg4 n SER 814 Ca 0.12 -0.66 -0.31 0.00 -0.26 0.00 0.00 58.87 57.75 3fg4 n SER 814 Cb 0.51 0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.46 3fg4 n SER 814 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fg4 s LEU 815 N -0.34 2.07 0.35 1.04 2.96 -1.02 -4.23 118.68 119.51 3fg4 s LEU 815 Ca 0.00 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3fg4 s LEU 815 Cb 0.00 -1.37 0.77 0.00 0.50 0.00 0.00 46.19 46.09 3fg4 s LEU 815 CO 0.00 0.26 1.89 0.28 -1.32 0.00 0.00 176.35 177.46 3fg4 h SER 816 N 5.91 0.69 0.23 3.68 0.02 -1.19 -1.25 113.55 121.64 3fg4 h SER 816 Ca -0.35 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3fg4 h SER 816 Cb 1.16 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3fg4 h SER 816 CO 0.47 0.38 0.00 0.18 -1.14 0.00 0.00 176.83 176.72 3fg4 n LEU 817 N -4.54 0.00 -4.51 5.07 4.32 -1.26 -1.22 117.00 114.85 3fg4 n LEU 817 Ca 0.16 0.12 -0.35 0.00 -0.02 0.00 0.00 56.01 55.92 3fg4 n LEU 817 Cb 0.39 -0.12 0.09 0.00 -1.62 0.00 0.00 43.42 42.17 3fg4 n LEU 817 CO 0.31 -0.01 0.22 0.61 -1.22 0.00 0.00 177.39 177.30 3fg4 n GLY 818 N 1.01 -1.23 0.44 -0.72 0.00 -0.47 -1.22 105.19 102.99 3fg4 n GLY 818 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3fg4 n GLY 818 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 819 N 1.34 0.51 0.00 -0.02 0.00 -1.26 -3.39 105.19 102.37 3fg4 n GLY 819 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fg4 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 820 N -2.00 2.43 0.33 -0.02 0.00 -1.25 -4.95 105.19 99.74 3fg4 n GLY 820 Ca 0.00 -0.28 0.22 0.00 0.00 0.00 0.00 46.02 45.95 3fg4 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg4 h GLY 821 N 0.00 0.00 1.61 -0.02 0.00 -1.64 -2.77 103.07 100.26 3fg4 h GLY 821 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3fg4 h GLY 821 CO 0.00 0.00 -0.41 1.12 0.00 0.00 0.00 176.54 177.25 3fg4 h HIS 822 N 0.00 0.50 -0.10 5.60 2.07 -1.41 0.19 115.15 122.01 3fg4 h HIS 822 Ca -0.00 -0.14 -0.02 0.00 -2.85 0.00 0.00 60.37 57.35 3fg4 h HIS 822 Cb 0.09 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 29.96 3fg4 h HIS 822 CO 0.00 0.78 -0.03 0.28 -3.07 0.00 0.00 177.93 175.88 3fg4 h VAL 823 N 0.35 1.30 -0.97 6.12 2.07 -1.79 -1.57 116.25 121.77 3fg4 h VAL 823 Ca 0.03 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3fg4 h VAL 823 Cb 0.88 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 3fg4 h VAL 823 CO 0.07 0.28 0.64 0.74 0.02 0.00 0.00 177.57 179.32 3fg4 h THR 824 N -0.14 1.17 -0.46 2.57 2.02 -1.51 -0.63 112.91 115.93 3fg4 h THR 824 Ca 0.02 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3fg4 h THR 824 Cb 0.46 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3fg4 h THR 824 CO 0.01 0.22 -0.00 0.15 0.37 0.00 0.00 175.52 176.27 3fg4 h PHE 825 N 1.23 0.88 -0.08 3.16 3.57 -0.86 0.12 116.94 124.97 3fg4 h PHE 825 Ca 0.39 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3fg4 h PHE 825 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3fg4 h PHE 825 CO -0.00 0.85 -0.30 0.52 -2.23 0.00 0.00 178.31 177.15 3fg4 h MET 826 N 0.65 0.14 -0.02 1.11 2.86 -0.46 0.21 114.93 119.43 3fg4 h MET 826 Ca 0.13 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3fg4 h MET 826 Cb 0.50 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3fg4 h MET 826 CO 0.02 0.43 0.01 0.93 1.06 0.00 0.00 176.91 179.36 3fg4 h GLU 827 N 0.13 0.03 -0.23 1.72 5.08 -0.78 0.29 114.58 120.81 3fg4 h GLU 827 Ca 0.02 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3fg4 h GLU 827 Cb 0.60 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3fg4 h GLU 827 CO 0.04 0.16 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.86 3fg4 h LYS 828 N -0.11 -0.12 -0.62 2.33 3.64 -0.21 -0.69 116.57 120.79 3fg4 h LYS 828 Ca 0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3fg4 h LYS 828 Cb 0.14 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3fg4 h LYS 828 CO -0.00 -0.08 0.36 0.00 -2.27 0.00 0.00 179.45 177.46 3fg4 h PHE 830 N 0.86 0.37 0.00 0.00 3.57 0.10 -2.29 116.94 119.55 3fg4 h PHE 830 Ca 0.22 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3fg4 h PHE 830 Cb -0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3fg4 h PHE 830 CO 0.00 0.52 0.13 0.87 -2.23 0.00 0.00 178.31 177.60 3fg4 h LYS 831 N 0.31 0.00 0.00 1.11 1.57 -1.08 -1.66 116.57 116.83 3fg4 h LYS 831 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3fg4 h LYS 831 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3fg4 h LYS 831 CO 0.03 0.00 -1.34 0.39 -0.57 0.00 0.00 179.45 177.97 3fg4 n GLU 832 N -2.93 1.02 -1.68 3.15 -0.58 -0.87 -1.03 120.64 117.72 3fg4 n GLU 832 Ca -0.02 -0.09 -0.45 0.00 -0.42 0.00 0.00 57.16 56.18 3fg4 n GLU 832 Cb 0.18 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 3fg4 n GLU 832 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3fg4 n VAL 833 N -1.78 0.60 -4.49 2.62 0.31 -0.62 -4.97 118.33 109.99 3fg4 n VAL 833 Ca -0.01 -0.15 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 3fg4 n VAL 833 Cb 0.35 -1.54 -0.14 0.00 -0.91 0.00 0.00 33.84 31.60 3fg4 n VAL 833 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3fg4 s ASN 834 N 0.54 1.95 0.57 4.52 2.47 -1.26 -4.29 114.94 119.44 3fg4 s ASN 834 Ca 0.72 -0.46 0.26 0.00 0.42 0.00 0.00 52.86 53.80 3fg4 s ASN 834 Cb -0.65 -0.15 1.57 0.00 -1.45 0.00 0.00 41.25 40.58 3fg4 s ASN 834 CO 0.45 0.09 2.10 0.25 -3.72 0.00 0.00 177.10 176.28 3fg4 h LEU 835 N 5.00 0.00 -1.72 3.21 5.85 -0.77 -1.43 115.31 125.45 3fg4 h LEU 835 Ca -0.39 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3fg4 h LEU 835 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3fg4 h LEU 835 CO 0.44 0.00 -0.17 1.56 -0.34 0.00 0.00 178.44 179.93 3fg4 h GLN 836 N 0.00 0.00 -0.06 1.25 1.08 -1.84 -2.17 115.11 113.37 3fg4 h GLN 836 Ca 0.09 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3fg4 h GLN 836 Cb 0.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3fg4 h GLN 836 CO -0.00 0.17 0.07 -0.44 -0.95 0.00 0.00 178.83 177.68 3fg4 h ASP 837 N 0.00 0.00 -0.07 1.46 3.32 -1.67 -1.70 116.42 117.76 3fg4 h ASP 837 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 837 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3fg4 h ASP 837 CO 0.02 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 3fg4 n TYR 838 N -3.92 0.08 -3.14 4.55 4.02 -0.81 -4.71 117.16 113.23 3fg4 n TYR 838 Ca -0.01 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 3fg4 n TYR 838 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 3fg4 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg4 s HIS 839 N -1.92 3.04 0.07 -0.72 2.46 -0.64 -4.61 115.29 112.98 3fg4 s HIS 839 Ca 0.35 -0.39 -0.32 0.00 0.47 0.00 0.00 55.06 55.17 3fg4 s HIS 839 Cb 0.18 -3.48 -0.18 0.00 -0.13 0.00 0.00 32.58 28.96 3fg4 s HIS 839 CO 0.28 -0.99 1.63 1.25 -2.47 0.00 0.00 174.74 174.44 3fg4 h LEU 840 N 9.74 -0.75 -0.57 8.88 5.85 -1.87 -1.05 115.31 135.54 3fg4 h LEU 840 Ca -0.27 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.58 3fg4 h LEU 840 Cb 1.09 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 3fg4 h LEU 840 CO 0.94 -0.52 0.15 -0.65 -0.34 0.00 0.00 178.44 178.02 3fg4 h PRO 841 N -0.86 0.29 -0.66 5.25 0.11 -1.97 -1.57 132.00 132.59 3fg4 h PRO 841 Ca -0.09 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 3fg4 h PRO 841 Cb 0.66 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 3fg4 h PRO 841 CO 0.13 0.19 0.20 -0.91 -0.21 0.00 0.00 178.00 177.41 3fg4 h ASN 842 N 0.30 0.97 -0.45 -2.05 -0.26 -1.89 -2.03 115.58 110.17 3fg4 h ASN 842 Ca 0.29 -0.21 -0.08 0.00 -0.56 0.00 0.00 56.30 55.74 3fg4 h ASN 842 Cb 0.40 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 3fg4 h ASN 842 CO -0.35 0.92 -0.01 0.00 -1.06 0.00 0.00 177.43 176.93 3fg4 h ALA 843 N 1.08 0.61 -0.67 -0.83 0.00 -0.90 -0.94 119.26 117.61 3fg4 h ALA 843 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3fg4 h ALA 843 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fg4 h ALA 843 CO -0.01 0.42 0.19 -0.07 0.00 0.00 0.00 179.25 179.78 3fg4 h LEU 844 N 0.65 0.98 0.26 0.00 3.38 -1.17 -1.07 115.31 118.34 3fg4 h LEU 844 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3fg4 h LEU 844 Cb 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3fg4 h LEU 844 CO 0.03 0.92 -0.13 0.50 0.09 0.00 0.00 178.44 179.85 3fg4 h LYS 845 N 1.00 -0.34 -0.55 1.13 3.64 -1.21 -1.36 116.57 118.88 3fg4 h LYS 845 Ca 0.22 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 3fg4 h LYS 845 Cb 0.31 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.13 3fg4 h LYS 845 CO -0.00 -0.12 0.08 -0.22 -2.27 0.00 0.00 179.45 176.92 3fg4 h LYS 846 N -0.51 0.20 0.00 1.90 3.64 -1.11 0.48 116.57 121.18 3fg4 h LYS 846 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3fg4 h LYS 846 Cb 0.38 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3fg4 h LYS 846 CO 0.06 0.13 0.00 0.54 -2.27 0.00 0.00 179.45 177.91 3fg4 n ARG 847 N -5.16 0.01 -2.44 1.90 1.74 -0.41 -4.90 116.66 107.40 3fg4 n ARG 847 Ca 0.07 0.40 -0.19 0.00 -0.77 0.00 0.00 57.85 57.36 3fg4 n ARG 847 Cb 0.29 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3fg4 n ARG 847 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg4 n GLY 848 N -0.83 -0.40 0.82 -0.13 0.00 0.17 -0.91 105.19 103.91 3fg4 n GLY 848 Ca 0.01 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3fg4 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg4 n VAL 849 N -4.08 2.26 0.18 1.61 0.24 -0.56 -4.29 118.33 113.70 3fg4 n VAL 849 Ca -0.20 -1.94 0.10 0.00 -2.04 0.00 0.00 64.34 60.26 3fg4 n VAL 849 Cb 0.66 -0.26 0.20 0.00 -1.47 0.00 0.00 33.84 32.97 3fg4 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg4 n ASP 850 N -0.62 3.28 -4.35 -1.34 5.75 -1.23 -4.83 116.55 113.20 3fg4 n ASP 850 Ca 0.21 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.63 3fg4 n ASP 850 Cb 0.87 -0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.63 3fg4 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg4 s ASP 851 N -1.31 5.90 0.61 -1.12 -1.08 -1.26 -4.95 116.67 113.46 3fg4 s ASP 851 Ca 0.35 -1.28 0.39 0.00 -0.52 0.00 0.00 52.55 51.48 3fg4 s ASP 851 Cb 0.20 -2.09 1.96 0.00 -1.46 0.00 0.00 42.92 41.54 3fg4 s ASP 851 CO 0.28 -0.54 2.21 -0.65 0.52 0.00 0.00 175.17 176.98 3fg4 h PRO 852 N 8.57 0.00 0.00 4.34 0.11 -1.88 0.17 132.00 143.30 3fg4 h PRO 852 Ca -0.26 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 3fg4 h PRO 852 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3fg4 h PRO 852 CO 0.78 0.01 -0.53 0.66 -0.21 0.00 0.00 178.00 178.71 3fg4 h SER 853 N 0.00 0.00 0.18 -2.05 4.64 -2.00 -3.18 113.55 111.14 3fg4 h SER 853 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3fg4 h SER 853 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3fg4 h SER 853 CO 0.00 0.53 -2.11 0.29 -0.87 0.00 0.00 176.83 174.67 3fg4 n LYS 854 N -3.32 0.68 -3.72 4.77 4.01 -0.73 -4.74 118.16 115.12 3fg4 n LYS 854 Ca 0.01 0.17 -0.29 0.00 -0.51 0.00 0.00 58.31 57.69 3fg4 n LYS 854 Cb 0.70 -1.65 -0.13 0.00 -0.51 0.00 0.00 35.03 33.45 3fg4 n LYS 854 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3fg4 s LEU 855 N -6.17 2.82 0.73 -0.35 2.96 0.50 -4.73 118.68 114.44 3fg4 s LEU 855 Ca -0.15 -2.73 -0.09 0.00 -0.22 0.00 0.00 54.13 50.94 3fg4 s LEU 855 Cb 0.07 -1.07 0.06 0.00 0.50 0.00 0.00 46.19 45.76 3fg4 s LEU 855 CO 0.77 -0.25 1.07 -2.16 -1.32 0.00 0.00 176.35 174.46 3fg4 s PRO 856 N 0.21 2.22 -1.15 0.98 0.04 -1.20 -4.25 135.00 131.85 3fg4 s PRO 856 Ca 0.19 -0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.14 3fg4 s PRO 856 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3fg4 s PRO 856 CO -0.02 -1.31 0.97 0.41 0.04 0.00 0.00 177.00 177.10 3fg4 n GLY 857 N -3.04 -0.34 2.87 0.56 0.00 -1.26 -4.92 105.19 99.06 3fg4 n GLY 857 Ca 0.08 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3fg4 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg4 s PHE 858 N -3.32 2.89 -0.01 1.61 5.36 -1.26 -4.86 117.98 118.39 3fg4 s PHE 858 Ca 0.18 -2.99 0.09 0.00 -0.96 0.00 0.00 56.93 53.25 3fg4 s PHE 858 Cb -0.08 -2.53 -0.23 0.00 -0.34 0.00 0.00 43.02 39.84 3fg4 s PHE 858 CO 0.67 -0.73 0.81 1.88 -1.46 0.00 0.00 175.22 176.39 3fg4 h TYR 859 N 6.39 0.05 -0.74 10.12 -1.99 -1.93 -2.17 116.97 126.70 3fg4 h TYR 859 Ca -0.02 -0.04 0.16 0.00 2.00 0.00 0.00 58.73 60.83 3fg4 h TYR 859 Cb 0.88 -0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.50 3fg4 h TYR 859 CO 0.53 1.06 0.15 -0.92 -0.00 0.00 0.00 178.16 178.98 3fg4 h TYR 860 N 0.01 0.23 0.55 4.88 3.20 -1.93 0.84 116.97 124.74 3fg4 h TYR 860 Ca -0.23 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.66 3fg4 h TYR 860 Cb 1.96 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.25 3fg4 h TYR 860 CO 0.01 -0.12 -0.26 -0.09 -1.64 0.00 0.00 178.16 176.06 3fg4 h ARG 861 N 0.24 -0.71 0.22 1.82 2.43 -1.82 -0.02 114.38 116.53 3fg4 h ARG 861 Ca 0.42 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.63 3fg4 h ARG 861 Cb 0.73 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3fg4 h ARG 861 CO -0.54 -0.42 -0.10 -0.44 -1.51 0.00 0.00 179.97 176.96 3fg4 h ASP 862 N -0.90 -0.25 -0.49 -3.80 3.45 -1.08 0.62 116.42 113.97 3fg4 h ASP 862 Ca -0.08 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.27 3fg4 h ASP 862 Cb 0.62 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 3fg4 h ASP 862 CO 0.12 -0.12 0.01 0.44 -1.57 0.00 0.00 179.24 178.12 3fg4 h ASP 863 N -0.35 0.84 -0.54 6.45 3.32 -0.96 -2.24 116.42 122.93 3fg4 h ASP 863 Ca -0.03 -0.30 0.10 0.00 0.02 0.00 0.00 57.03 56.82 3fg4 h ASP 863 Cb 0.27 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.51 3fg4 h ASP 863 CO 0.05 0.93 0.03 1.23 -1.72 0.00 0.00 179.24 179.76 3fg4 h GLY 864 N 0.71 0.59 1.22 2.75 0.00 -0.78 -1.21 103.07 106.36 3fg4 h GLY 864 Ca 0.14 0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 3fg4 h GLY 864 CO 0.02 -0.14 -0.41 1.41 0.00 0.00 0.00 176.54 177.42 3fg4 h LEU 865 N 0.15 0.91 -0.64 3.11 3.38 -0.76 0.19 115.31 121.65 3fg4 h LEU 865 Ca 0.27 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3fg4 h LEU 865 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3fg4 h LEU 865 CO -0.42 1.20 0.28 0.00 0.09 0.00 0.00 178.44 179.59 3fg4 h ALA 866 N 0.84 0.83 -0.23 1.53 0.00 -1.18 -2.32 119.26 118.72 3fg4 h ALA 866 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3fg4 h ALA 866 Cb 0.99 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fg4 h ALA 866 CO 0.10 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 3fg4 h LEU 867 N 0.89 0.40 -0.36 0.00 3.38 -1.04 -2.24 115.31 116.33 3fg4 h LEU 867 Ca 0.22 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3fg4 h LEU 867 Cb 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3fg4 h LEU 867 CO -0.02 0.61 -0.23 -0.25 0.09 0.00 0.00 178.44 178.63 3fg4 h TRP 868 N 0.18 -0.60 -0.66 1.13 2.91 -0.91 -0.19 115.95 117.80 3fg4 h TRP 868 Ca 0.07 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3fg4 h TRP 868 Cb 0.40 0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 3fg4 h TRP 868 CO 0.03 -0.31 0.42 1.49 -1.03 0.00 0.00 178.44 179.05 3fg4 h GLU 869 N -0.18 0.88 -0.55 2.65 4.22 -1.42 0.43 114.58 120.61 3fg4 h GLU 869 Ca 0.18 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 3fg4 h GLU 869 Cb 0.46 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3fg4 h GLU 869 CO -0.47 0.60 0.34 0.00 -2.18 0.00 0.00 179.01 177.31 3fg4 h ALA 870 N 1.23 0.70 -0.52 2.92 0.00 -0.76 -0.06 119.26 122.76 3fg4 h ALA 870 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3fg4 h ALA 870 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3fg4 h ALA 870 CO -0.05 0.17 -0.04 0.82 0.00 0.00 0.00 179.25 180.15 3fg4 h ILE 871 N 0.74 1.26 -0.13 0.00 2.04 -0.77 -1.91 117.51 118.74 3fg4 h ILE 871 Ca 0.20 -1.13 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 3fg4 h ILE 871 Cb -0.04 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3fg4 h ILE 871 CO -0.04 0.40 -0.33 -0.08 0.00 0.00 0.00 178.15 178.11 3fg4 h GLU 872 N 0.84 0.45 -0.24 2.37 4.81 -0.54 -1.12 114.58 121.15 3fg4 h GLU 872 Ca 0.15 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3fg4 h GLU 872 Cb 0.55 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3fg4 h GLU 872 CO 0.03 0.92 -0.16 1.15 -0.73 0.00 0.00 179.01 180.23 3fg4 h THR 873 N 0.05 0.54 -0.05 0.32 2.02 -0.93 0.78 112.91 115.64 3fg4 h THR 873 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fg4 h THR 873 Cb 0.94 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3fg4 h THR 873 CO 0.07 0.00 0.03 0.15 0.37 0.00 0.00 175.52 176.14 3fg4 h PHE 874 N -0.15 0.06 -1.01 3.16 3.57 -1.30 -0.37 116.94 120.90 3fg4 h PHE 874 Ca 0.13 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3fg4 h PHE 874 Cb 0.35 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 3fg4 h PHE 874 CO -0.33 0.04 0.66 0.82 -2.23 0.00 0.00 178.31 177.27 3fg4 h ILE 875 N 0.06 1.23 -0.72 1.41 2.04 -0.99 -1.48 117.51 119.06 3fg4 h ILE 875 Ca 0.02 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3fg4 h ILE 875 Cb -0.01 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 35.82 3fg4 h ILE 875 CO -0.01 0.24 0.31 1.23 0.00 0.00 0.00 178.15 179.93 3fg4 h GLY 876 N 1.34 1.14 0.95 5.37 0.00 -0.47 -1.05 103.07 110.34 3fg4 h GLY 876 Ca 0.38 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3fg4 h GLY 876 CO -0.09 0.57 0.03 0.83 0.00 0.00 0.00 176.54 177.87 3fg4 h GLU 877 N 1.02 0.70 -0.25 4.80 5.08 -0.10 -2.29 114.58 123.55 3fg4 h GLU 877 Ca 0.24 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3fg4 h GLU 877 Cb 0.17 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3fg4 h GLU 877 CO -0.02 0.76 -0.16 0.82 -1.00 0.00 0.00 179.01 179.40 3fg4 h ILE 878 N 0.54 0.53 -0.62 3.13 1.08 -1.18 -2.75 117.51 118.23 3fg4 h ILE 878 Ca 0.12 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.66 3fg4 h ILE 878 Cb 0.43 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.65 3fg4 h ILE 878 CO 0.01 0.00 0.32 0.40 -0.69 0.00 0.00 178.15 178.19 3fg4 h ILE 879 N -0.15 0.91 0.00 -0.67 2.04 -1.02 -2.09 117.51 116.53 3fg4 h ILE 879 Ca 0.14 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3fg4 h ILE 879 Cb 0.36 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3fg4 h ILE 879 CO -0.34 0.11 -0.06 0.00 0.00 0.00 0.00 178.15 177.86 3fg4 h ALA 880 N 1.35 1.09 -0.08 1.87 0.00 -1.16 0.49 119.26 122.83 3fg4 h ALA 880 Ca 0.29 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 3fg4 h ALA 880 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fg4 h ALA 880 CO -0.21 0.07 -0.75 0.82 0.00 0.00 0.00 179.25 179.18 3fg4 h ILE 881 N 0.00 1.37 0.00 0.00 2.04 -1.10 -3.39 117.51 116.43 3fg4 h ILE 881 Ca -0.00 -2.16 -0.22 0.00 1.00 0.00 0.00 64.86 63.49 3fg4 h ILE 881 Cb 0.35 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 3fg4 h ILE 881 CO 0.01 0.65 -1.81 0.49 0.00 0.00 0.00 178.15 177.49 3fg4 n PHE 882 N -3.84 0.00 -3.72 1.37 3.01 -0.56 -4.85 117.46 108.87 3fg4 n PHE 882 Ca -0.05 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.04 3fg4 n PHE 882 Cb 0.72 -0.58 -0.12 0.00 -0.01 0.00 0.00 39.48 39.49 3fg4 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg4 s TYR 883 N -2.29 3.15 -0.65 1.38 1.51 0.16 -4.91 117.35 115.71 3fg4 s TYR 883 Ca -0.06 -0.78 0.24 0.00 -1.01 0.00 0.00 57.07 55.46 3fg4 s TYR 883 Cb 0.04 -2.29 0.42 0.00 -0.11 0.00 0.00 41.96 40.02 3fg4 s TYR 883 CO 0.48 -0.51 1.40 0.87 -1.11 0.00 0.00 175.55 176.68 3fg4 h LYS 884 N 8.27 0.00 0.00 -0.62 1.79 -1.82 -3.36 116.57 120.83 3fg4 h LYS 884 Ca -0.33 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.25 3fg4 h LYS 884 Cb 1.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 3fg4 h LYS 884 CO 0.61 0.00 0.45 0.27 -1.08 0.00 0.00 179.45 179.69 3fg4 n ASN 885 N -2.16 -1.49 0.15 0.86 0.23 -1.26 -5.06 115.26 106.52 3fg4 n ASN 885 Ca 0.04 -1.83 -0.00 0.00 -0.53 0.00 0.00 54.58 52.25 3fg4 n ASN 885 Cb 0.44 2.43 0.22 0.00 -2.08 0.00 0.00 39.78 40.79 3fg4 n ASN 885 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fg4 h ASP 886 N 1.61 0.01 -0.15 0.53 3.32 -1.92 -3.01 116.42 116.80 3fg4 h ASP 886 Ca -0.23 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3fg4 h ASP 886 Cb 0.98 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3fg4 h ASP 886 CO 0.31 0.56 0.02 0.44 -1.72 0.00 0.00 179.24 178.84 3fg4 h ASP 887 N 0.01 0.33 -0.38 6.45 3.32 -1.97 -1.62 116.42 122.54 3fg4 h ASP 887 Ca -0.01 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3fg4 h ASP 887 Cb 0.98 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3fg4 h ASP 887 CO 0.07 0.37 0.14 0.44 -1.72 0.00 0.00 179.24 178.55 3fg4 h ASP 888 N 0.35 0.59 -0.05 6.45 3.32 -1.94 0.32 116.42 125.45 3fg4 h ASP 888 Ca 0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 888 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3fg4 h ASP 888 CO 0.00 0.56 -0.01 0.58 -1.72 0.00 0.00 179.24 178.66 3fg4 h VAL 889 N 0.64 1.28 -0.46 -1.35 2.07 -1.39 -2.06 116.25 114.98 3fg4 h VAL 889 Ca 0.15 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3fg4 h VAL 889 Cb 0.18 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3fg4 h VAL 889 CO -0.01 0.24 0.16 0.11 0.02 0.00 0.00 177.57 178.09 3fg4 h LYS 890 N -0.23 0.66 0.00 1.57 1.57 -0.91 -2.77 116.57 116.47 3fg4 h LYS 890 Ca 0.01 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3fg4 h LYS 890 Cb 0.38 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fg4 h LYS 890 CO 0.00 0.56 -0.11 0.00 -0.57 0.00 0.00 179.45 179.34 3fg4 h ARG 891 N 0.65 0.00 -6.00 3.15 3.08 -0.31 -3.43 114.38 111.52 3fg4 h ARG 891 Ca 0.16 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.73 3fg4 h ARG 891 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3fg4 h ARG 891 CO -0.01 0.11 1.21 0.34 -1.07 0.00 0.00 179.97 180.55 3fg4 s ASP 892 N -6.24 5.43 0.52 7.04 -1.08 -0.78 -4.82 116.67 116.74 3fg4 s ASP 892 Ca 0.06 -0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.38 3fg4 s ASP 892 Cb 0.06 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 40.08 3fg4 s ASP 892 CO 0.68 -2.33 1.89 -0.55 0.52 0.00 0.00 175.17 175.38 3fg4 h ASN 893 N 13.42 0.00 -0.00 -0.34 7.08 -1.86 -1.95 115.58 131.93 3fg4 h ASN 893 Ca -0.19 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.02 3fg4 h ASN 893 Cb 1.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 3fg4 h ASN 893 CO 1.23 0.00 -0.06 -0.33 -2.08 0.00 0.00 177.43 176.20 3fg4 h GLU 894 N 0.00 0.04 -0.69 4.14 5.08 -1.88 -0.28 114.58 121.00 3fg4 h GLU 894 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fg4 h GLU 894 Cb 0.64 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3fg4 h GLU 894 CO 0.00 0.78 0.42 0.97 -1.00 0.00 0.00 179.01 180.18 3fg4 h ILE 895 N -0.67 1.19 -0.55 3.13 6.09 -1.83 0.87 117.51 125.73 3fg4 h ILE 895 Ca -0.01 -0.41 -0.02 0.00 -1.37 0.00 0.00 64.86 63.05 3fg4 h ILE 895 Cb 0.80 0.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.28 3fg4 h ILE 895 CO 0.01 0.20 0.28 1.56 -3.07 0.00 0.00 178.15 177.13 3fg4 h GLN 896 N 0.94 0.78 -0.24 2.19 1.08 -1.36 -1.94 115.11 116.56 3fg4 h GLN 896 Ca 0.25 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 3fg4 h GLN 896 Cb -0.04 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3fg4 h GLN 896 CO -0.05 0.62 -0.21 0.77 -0.95 0.00 0.00 178.83 179.01 3fg4 h SER 897 N 0.74 0.43 0.52 1.46 0.02 -0.52 -1.44 113.55 114.75 3fg4 h SER 897 Ca 0.19 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3fg4 h SER 897 Cb 0.09 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3fg4 h SER 897 CO -0.03 0.65 -0.25 -0.25 -1.14 0.00 0.00 176.83 175.81 3fg4 h TRP 898 N 0.39 -0.65 -0.51 3.45 7.01 -0.54 0.57 115.95 125.67 3fg4 h TRP 898 Ca 0.06 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.93 3fg4 h TRP 898 Cb 0.59 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 3fg4 h TRP 898 CO 0.02 -0.41 -0.14 0.97 -2.79 0.00 0.00 178.44 176.09 3fg4 h ILE 899 N -0.70 1.27 -0.92 2.65 6.09 -1.39 -3.16 117.51 121.34 3fg4 h ILE 899 Ca -0.07 -1.29 -0.01 0.00 -1.37 0.00 0.00 64.86 62.11 3fg4 h ILE 899 Cb 0.54 1.04 -0.04 0.00 0.47 0.00 0.00 36.82 38.83 3fg4 h ILE 899 CO 0.12 0.45 0.52 0.22 -3.07 0.00 0.00 178.15 176.39 3fg4 h TYR 900 N 0.86 1.25 -0.89 2.19 3.20 -1.17 -1.67 116.97 120.74 3fg4 h TYR 900 Ca 0.13 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3fg4 h TYR 900 Cb 0.71 -0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 3fg4 h TYR 900 CO 0.05 0.85 0.58 0.22 -1.64 0.00 0.00 178.16 178.22 3fg4 h ASP 901 N 1.28 0.95 -0.17 -2.11 1.82 -0.87 0.23 116.42 117.55 3fg4 h ASP 901 Ca 0.33 -0.01 -0.18 0.00 -0.39 0.00 0.00 57.03 56.78 3fg4 h ASP 901 Cb 0.00 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.80 3fg4 h ASP 901 CO -0.05 0.65 -0.61 0.58 -1.61 0.00 0.00 179.24 178.19 3fg4 h VAL 902 N 1.10 1.31 -0.15 2.25 2.07 -1.42 0.95 116.25 122.35 3fg4 h VAL 902 Ca 0.36 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3fg4 h VAL 902 Cb 0.05 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3fg4 h VAL 902 CO -0.11 0.58 0.07 -0.74 0.02 0.00 0.00 177.57 177.39 3fg4 h HIS 903 N 0.41 0.22 0.11 1.57 -0.00 -0.73 0.14 115.15 116.87 3fg4 h HIS 903 Ca -0.03 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.17 3fg4 h HIS 903 Cb 1.23 -0.07 0.01 0.00 -0.00 0.00 0.00 27.41 28.59 3fg4 h HIS 903 CO 0.09 0.26 -0.75 -0.22 -0.00 0.00 0.00 177.93 177.32 3fg4 h LYS 904 N 0.12 0.23 -0.00 5.26 1.63 -0.65 -3.42 116.57 119.73 3fg4 h LYS 904 Ca 0.05 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 3fg4 h LYS 904 Cb 0.13 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3fg4 h LYS 904 CO -0.01 1.19 -0.14 0.09 -3.45 0.00 0.00 179.45 177.14 3fg4 n ASN 905 N -4.20 0.84 0.00 4.20 4.13 0.30 -4.66 115.26 115.88 3fg4 n ASN 905 Ca -0.15 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.19 3fg4 n ASN 905 Cb 0.77 0.54 0.00 0.00 -1.54 0.00 0.00 39.78 39.54 3fg4 n ASN 905 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fg4 n GLY 906 N 0.76 -0.43 3.13 7.41 0.00 0.26 -4.37 105.19 111.96 3fg4 n GLY 906 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3fg4 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg4 n TRP 907 N -2.21 3.41 -1.89 1.61 7.02 0.13 -0.13 117.44 125.38 3fg4 n TRP 907 Ca 0.00 -3.09 -0.42 0.00 -1.02 0.00 0.00 57.50 52.97 3fg4 n TRP 907 Cb 0.00 -1.43 -0.03 0.00 -2.42 0.00 0.00 31.31 27.43 3fg4 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg4 s ARG 908 N -2.20 4.18 -0.83 -0.99 0.52 -1.26 -4.79 118.95 113.57 3fg4 s ARG 908 Ca 0.31 2.36 -0.25 0.00 -0.52 0.00 0.00 55.73 57.63 3fg4 s ARG 908 Cb -0.01 -3.70 0.02 0.00 0.52 0.00 0.00 34.95 31.78 3fg4 s ARG 908 CO 0.04 -0.78 1.50 0.08 0.02 0.00 0.00 175.30 176.15 3fg4 s VAL 909 N 3.00 3.70 0.52 3.52 1.01 -1.26 -4.95 120.40 125.94 3fg4 s VAL 909 Ca 0.76 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.71 3fg4 s VAL 909 Cb -0.40 -4.72 0.07 0.00 0.00 0.00 0.00 36.38 31.33 3fg4 s VAL 909 CO 0.33 -1.65 0.61 0.59 0.00 0.00 0.00 175.10 174.98 3fg4 n ASN 910 N 10.22 2.17 -4.68 3.32 3.02 -1.26 -4.94 115.26 123.12 3fg4 n ASN 910 Ca 0.20 -2.52 -0.43 0.00 -0.03 0.00 0.00 54.58 51.79 3fg4 n ASN 910 Cb 0.50 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3fg4 n ASN 910 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3fg4 n PRO 911 N -1.99 2.69 -0.30 3.52 -0.02 -1.26 -0.94 135.00 136.71 3fg4 n PRO 911 Ca 0.09 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3fg4 n PRO 911 Cb 0.56 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3fg4 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg4 n GLY 912 N 4.36 0.65 3.85 -1.23 0.00 -1.26 -5.05 105.19 106.51 3fg4 n GLY 912 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3fg4 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 913 N -2.59 3.67 0.72 1.61 3.76 -0.12 -4.95 115.29 117.39 3fg4 s HIS 913 Ca 0.00 0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 55.66 3fg4 s HIS 913 Cb 0.00 -2.22 0.03 0.00 1.11 0.00 0.00 32.58 31.51 3fg4 s HIS 913 CO 0.00 0.60 1.12 -0.65 -0.85 0.00 0.00 174.74 174.97 3fg4 s GLN 914 N -1.38 2.42 0.30 1.40 -1.52 -0.20 -4.82 119.66 115.87 3fg4 s GLN 914 Ca 0.27 1.39 -0.29 0.00 -1.95 0.00 0.00 55.36 54.78 3fg4 s GLN 914 Cb -0.15 -1.90 -0.13 0.00 -0.22 0.00 0.00 33.01 30.60 3fg4 s GLN 914 CO 0.14 -1.54 1.23 -3.47 -0.25 0.00 0.00 175.29 171.40 3fg4 n ASP 915 N -2.90 2.31 -0.83 5.90 2.03 -1.26 -4.85 116.55 116.95 3fg4 n ASP 915 Ca 0.11 1.19 0.12 0.00 0.52 0.00 0.00 54.79 56.72 3fg4 n ASP 915 Cb 0.52 -1.41 0.27 0.00 -0.72 0.00 0.00 41.12 39.77 3fg4 n ASP 915 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3fg4 n HIS 916 N 0.62 0.13 -1.09 -0.67 8.25 -1.26 -4.65 115.22 116.55 3fg4 n HIS 916 Ca 0.08 -0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 3fg4 n HIS 916 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 3fg4 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg4 n GLY 917 N 1.31 0.61 3.61 -1.41 0.00 -1.26 -0.17 105.19 107.88 3fg4 n GLY 917 Ca 0.17 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3fg4 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg4 s VAL 918 N -1.96 5.03 0.80 1.61 1.01 -1.26 -4.43 120.40 121.20 3fg4 s VAL 918 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 3fg4 s VAL 918 Cb 0.00 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.58 3fg4 s VAL 918 CO 0.00 0.00 1.18 -2.16 0.00 0.00 0.00 175.10 174.12 3fg4 s PRO 919 N 2.39 1.75 0.14 2.72 0.04 -1.26 -4.78 135.00 135.99 3fg4 s PRO 919 Ca 0.22 1.63 0.25 0.00 0.04 0.00 0.00 61.00 63.14 3fg4 s PRO 919 Cb -0.15 -1.80 0.48 0.00 0.04 0.00 0.00 34.50 33.06 3fg4 s PRO 919 CO 0.10 -2.11 1.45 0.00 0.04 0.00 0.00 177.00 176.48 3fg4 n ALA 920 N -3.34 2.77 -3.82 8.56 0.00 -1.26 -4.50 120.51 118.93 3fg4 n ALA 920 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 3fg4 n ALA 920 Cb 0.51 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3fg4 n ALA 920 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fg4 s SER 921 N -4.26 -0.19 -0.11 0.00 1.04 -1.26 -4.06 113.70 104.85 3fg4 s SER 921 Ca 0.08 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.95 3fg4 s SER 921 Cb 0.13 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.87 3fg4 s SER 921 CO 0.69 -1.18 -0.15 -0.36 0.98 0.00 0.00 173.24 173.22 3fg4 s PHE 922 N -3.47 2.75 -0.44 5.02 2.99 -1.26 -5.02 117.98 118.55 3fg4 s PHE 922 Ca 0.12 -0.63 0.17 0.00 0.00 0.00 0.00 56.93 56.59 3fg4 s PHE 922 Cb -0.04 -1.79 -0.22 0.00 0.00 0.00 0.00 43.02 40.98 3fg4 s PHE 922 CO 0.05 -0.18 0.55 -0.85 -0.00 0.00 0.00 175.22 174.79 3fg4 n GLU 923 N 3.33 1.11 -3.79 0.44 0.00 -1.26 -4.36 120.64 116.11 3fg4 n GLU 923 Ca -0.18 -0.07 -0.10 0.00 0.00 0.00 0.00 57.16 56.81 3fg4 n GLU 923 Cb 0.53 -1.33 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 3fg4 n GLU 923 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3fg4 s SER 924 N -3.17 -0.03 0.21 -1.84 1.04 -1.26 -4.73 113.70 103.92 3fg4 s SER 924 Ca 0.01 -0.40 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 3fg4 s SER 924 Cb 0.12 0.36 0.29 0.00 0.10 0.00 0.00 66.02 66.88 3fg4 s SER 924 CO 0.69 -0.68 1.77 0.03 0.98 0.00 0.00 173.24 176.03 3fg4 h ARG 925 N 2.95 0.54 -0.65 4.02 3.08 -1.88 -1.24 114.38 121.20 3fg4 h ARG 925 Ca -0.33 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.78 3fg4 h ARG 925 Cb 1.21 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 3fg4 h ARG 925 CO 0.50 0.36 0.30 1.49 -1.07 0.00 0.00 179.97 181.54 3fg4 h GLU 926 N 0.55 0.50 -0.25 0.04 4.81 -1.99 0.25 114.58 118.50 3fg4 h GLU 926 Ca 0.32 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 3fg4 h GLU 926 Cb 0.32 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3fg4 h GLU 926 CO -0.25 0.33 -0.55 0.37 -0.73 0.00 0.00 179.01 178.18 3fg4 h GLN 927 N 0.52 0.77 -0.28 1.92 4.15 -1.92 -1.63 115.11 118.65 3fg4 h GLN 927 Ca 0.32 -0.49 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 3fg4 h GLN 927 Cb 0.35 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3fg4 h GLN 927 CO -0.27 1.12 0.07 1.25 -1.93 0.00 0.00 178.83 179.06 3fg4 h LEU 928 N 0.59 0.42 -0.49 -2.39 5.85 -0.30 -2.79 115.31 116.21 3fg4 h LEU 928 Ca 0.01 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.59 3fg4 h LEU 928 Cb 1.14 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 3fg4 h LEU 928 CO 0.12 0.54 0.04 0.50 -0.34 0.00 0.00 178.44 179.30 3fg4 h LYS 929 N 0.28 0.16 -0.65 1.25 3.64 -0.42 -2.10 116.57 118.72 3fg4 h LYS 929 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3fg4 h LYS 929 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3fg4 h LYS 929 CO 0.00 0.11 0.40 1.49 -2.27 0.00 0.00 179.45 179.17 3fg4 h GLU 930 N 0.16 0.89 -0.40 1.90 4.81 -1.03 0.23 114.58 121.14 3fg4 h GLU 930 Ca 0.25 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3fg4 h GLU 930 Cb 0.36 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3fg4 h GLU 930 CO -0.37 0.63 -0.09 0.28 -0.73 0.00 0.00 179.01 178.72 3fg4 h VAL 931 N 0.89 1.27 -0.27 0.32 2.07 -1.46 -1.28 116.25 117.80 3fg4 h VAL 931 Ca 0.24 -1.18 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 3fg4 h VAL 931 Cb -0.03 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3fg4 h VAL 931 CO -0.04 0.40 -0.47 -0.07 0.02 0.00 0.00 177.57 177.40 3fg4 h LEU 932 N 0.58 0.76 -0.15 2.57 3.38 -0.86 -1.80 115.31 119.80 3fg4 h LEU 932 Ca 0.10 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3fg4 h LEU 932 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fg4 h LEU 932 CO 0.04 1.11 0.03 0.74 0.09 0.00 0.00 178.44 180.45 3fg4 h THR 933 N 0.56 1.21 -0.75 0.22 2.02 -0.51 0.18 112.91 115.84 3fg4 h THR 933 Ca 0.03 -0.67 0.16 0.00 0.77 0.00 0.00 66.41 66.71 3fg4 h THR 933 Cb 1.03 1.37 -0.11 0.00 -1.74 0.00 0.00 68.15 68.70 3fg4 h THR 933 CO 0.10 0.20 0.22 0.28 0.37 0.00 0.00 175.52 176.69 3fg4 h SER 934 N 0.03 0.09 -0.02 4.18 0.02 -1.18 0.27 113.55 116.95 3fg4 h SER 934 Ca 0.05 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3fg4 h SER 934 Cb 0.28 0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.00 3fg4 h SER 934 CO 0.00 -0.01 -0.29 0.25 -1.14 0.00 0.00 176.83 175.64 3fg4 h LEU 935 N 0.31 0.29 -0.60 5.07 5.85 -0.92 -1.72 115.31 123.59 3fg4 h LEU 935 Ca 0.43 -0.73 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 3fg4 h LEU 935 Cb 0.73 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3fg4 h LEU 935 CO -0.49 0.98 -0.04 0.58 -0.34 0.00 0.00 178.44 179.13 3fg4 h VAL 936 N -0.38 1.27 -0.73 1.05 2.07 -0.41 -1.63 116.25 117.49 3fg4 h VAL 936 Ca -0.03 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 3fg4 h VAL 936 Cb 1.00 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3fg4 h VAL 936 CO 0.06 0.43 0.26 0.15 0.02 0.00 0.00 177.57 178.49 3fg4 h PHE 937 N 0.97 1.13 0.13 1.57 3.57 -0.95 -2.34 116.94 121.01 3fg4 h PHE 937 Ca 0.16 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3fg4 h PHE 937 Cb 0.60 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3fg4 h PHE 937 CO 0.04 0.87 -0.06 1.15 -2.23 0.00 0.00 178.31 178.08 3fg4 h THR 938 N 1.07 1.05 -0.96 4.41 2.02 -0.89 -0.18 112.91 119.42 3fg4 h THR 938 Ca 0.24 -0.95 0.31 0.00 0.77 0.00 0.00 66.41 66.78 3fg4 h THR 938 Cb 0.24 1.62 -0.16 0.00 -1.74 0.00 0.00 68.15 68.11 3fg4 h THR 938 CO -0.02 0.22 0.34 -0.26 0.37 0.00 0.00 175.52 176.17 3fg4 h PHE 939 N -0.64 0.50 0.00 3.16 0.05 -1.21 -2.22 116.94 116.59 3fg4 h PHE 939 Ca -0.02 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3fg4 h PHE 939 Cb 0.49 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.38 3fg4 h PHE 939 CO 0.07 -0.32 0.00 -1.13 -0.18 0.00 0.00 178.31 176.74 3fg4 n SER 940 N -5.26 0.00 -0.04 2.17 3.41 -0.89 -2.14 113.62 110.86 3fg4 n SER 940 Ca 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.80 3fg4 n SER 940 Cb 0.92 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 3fg4 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg4 h GLN 942 N 0.24 0.18 -0.76 0.00 5.75 -1.29 -0.98 115.11 118.25 3fg4 h GLN 942 Ca 0.08 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3fg4 h GLN 942 Cb 0.00 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 3fg4 h GLN 942 CO -0.04 0.50 0.48 1.25 -2.65 0.00 0.00 178.83 178.37 3fg4 h HIS 943 N -0.16 0.89 0.05 3.99 2.76 -1.38 -2.00 115.15 119.31 3fg4 h HIS 943 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3fg4 h HIS 943 Cb 0.44 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3fg4 h HIS 943 CO 0.05 0.50 -0.06 0.00 -1.30 0.00 0.00 177.93 177.12 3fg4 h ALA 944 N 1.33 -0.10 -0.57 5.26 0.00 -0.77 0.03 119.26 124.44 3fg4 h ALA 944 Ca 0.31 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3fg4 h ALA 944 Cb 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fg4 h ALA 944 CO -0.13 -0.57 0.38 0.00 0.00 0.00 0.00 179.25 178.94 3fg4 h ALA 945 N 0.82 1.86 -0.09 0.00 0.00 -0.85 0.66 119.26 121.65 3fg4 h ALA 945 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fg4 h ALA 945 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fg4 h ALA 945 CO -0.02 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.60 3fg4 n VAL 946 N -4.47 0.11 -0.02 0.00 0.24 -0.78 -4.20 118.33 109.21 3fg4 n VAL 946 Ca 0.08 -0.55 -0.06 0.00 -2.04 0.00 0.00 64.34 61.76 3fg4 n VAL 946 Cb 0.25 1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 3fg4 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg4 n ASN 947 N 1.21 1.16 0.00 -1.34 2.85 -0.02 -4.71 115.26 114.41 3fg4 n ASN 947 Ca 0.13 0.18 0.12 0.00 -0.11 0.00 0.00 54.58 54.90 3fg4 n ASN 947 Cb 0.53 -0.42 0.60 0.00 1.24 0.00 0.00 39.78 41.73 3fg4 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg4 n PHE 948 N -3.71 0.00 1.11 1.20 3.01 0.17 -1.69 117.46 117.55 3fg4 n PHE 948 Ca -0.11 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.47 3fg4 n PHE 948 Cb 0.36 -0.37 0.59 0.00 -0.01 0.00 0.00 39.48 40.06 3fg4 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg4 n SER 949 N -1.37 0.00 0.23 4.37 3.41 -1.25 -4.18 113.62 114.84 3fg4 n SER 949 Ca 0.10 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.81 3fg4 n SER 949 Cb 0.23 -0.29 0.37 0.00 -0.26 0.00 0.00 64.21 64.26 3fg4 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg4 h GLN 950 N 0.00 0.00 -0.10 4.33 4.20 -1.62 -2.75 115.11 119.17 3fg4 h GLN 950 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3fg4 h GLN 950 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fg4 h GLN 950 CO 0.00 0.06 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.88 3fg4 h LYS 951 N 0.00 0.26 0.00 1.46 3.11 -1.82 -0.72 116.57 118.87 3fg4 h LYS 951 Ca -0.00 -0.15 -0.07 0.00 -2.81 0.00 0.00 60.65 57.62 3fg4 h LYS 951 Cb 0.84 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.07 3fg4 h LYS 951 CO 0.01 0.70 -0.33 -0.44 -2.81 0.00 0.00 179.45 176.59 3fg4 h ASP 952 N -0.16 0.00 0.02 4.20 3.45 -1.83 -0.80 116.42 121.31 3fg4 h ASP 952 Ca 0.01 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3fg4 h ASP 952 Cb 0.67 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 3fg4 h ASP 952 CO 0.03 0.33 -0.55 -0.74 -1.57 0.00 0.00 179.24 176.74 3fg4 h HIS 953 N 0.00 0.08 0.00 4.55 2.76 -1.42 -3.36 115.15 117.76 3fg4 h HIS 953 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3fg4 h HIS 953 Cb 0.62 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 3fg4 h HIS 953 CO 0.00 1.21 -1.00 0.66 -1.30 0.00 0.00 177.93 177.50 3fg4 n TYR 954 N -4.46 0.00 -0.11 5.26 4.02 -0.28 -4.19 117.16 117.39 3fg4 n TYR 954 Ca -0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.66 3fg4 n TYR 954 Cb 0.60 -0.07 0.02 0.00 -0.02 0.00 0.00 39.34 39.87 3fg4 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3fg4 h GLY 955 N 4.12 0.33 -7.19 2.72 0.00 -1.22 -3.22 103.07 98.60 3fg4 h GLY 955 Ca 0.00 0.08 -0.66 0.00 0.00 0.00 0.00 47.33 46.75 3fg4 h GLY 955 CO 0.00 -0.12 0.20 -0.12 0.00 0.00 0.00 176.54 176.51 3fg4 s PHE 956 N -6.20 2.96 0.26 5.60 5.36 -1.26 -4.58 117.98 120.12 3fg4 s PHE 956 Ca -0.14 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 55.38 3fg4 s PHE 956 Cb 0.14 -3.74 0.55 0.00 -0.34 0.00 0.00 43.02 39.63 3fg4 s PHE 956 CO 0.71 -1.16 1.73 1.15 -1.46 0.00 0.00 175.22 176.19 3fg4 h THR 957 N 5.91 0.64 0.00 0.12 2.02 -1.85 -0.71 112.91 119.03 3fg4 h THR 957 Ca -0.27 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3fg4 h THR 957 Cb 1.09 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3fg4 h THR 957 CO 1.02 0.09 0.00 -0.65 0.37 0.00 0.00 175.52 176.35 3fg4 h PRO 958 N 0.50 0.00 0.00 6.66 0.11 -1.91 -0.78 132.00 136.58 3fg4 h PRO 958 Ca 0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 3fg4 h PRO 958 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3fg4 h PRO 958 CO -0.42 0.00 -0.13 -0.97 -0.21 0.00 0.00 178.00 176.27 3fg4 h ASN 959 N 0.00 0.00 -0.21 -2.05 -0.73 -1.42 -3.40 115.58 107.77 3fg4 h ASN 959 Ca 0.00 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 3fg4 h ASN 959 Cb 0.20 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.65 3fg4 h ASN 959 CO 0.00 0.13 -0.45 0.00 -0.37 0.00 0.00 177.43 176.74 3fg4 n ALA 960 N -2.37 -1.75 -1.76 1.57 0.00 -0.35 -5.02 120.51 110.83 3fg4 n ALA 960 Ca -0.02 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.84 3fg4 n ALA 960 Cb 0.22 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3fg4 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 961 N 0.70 3.72 0.00 0.00 0.04 -0.86 -4.87 135.00 133.72 3fg4 s PRO 961 Ca 0.31 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.40 3fg4 s PRO 961 Cb 0.18 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 3fg4 s PRO 961 CO -0.19 -0.65 0.39 0.00 0.04 0.00 0.00 177.00 176.59 3fg4 n ALA 962 N -0.35 2.49 -2.68 8.56 0.00 -1.26 -3.41 120.51 123.86 3fg4 n ALA 962 Ca 0.06 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.00 3fg4 n ALA 962 Cb 0.46 -0.14 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 3fg4 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg4 s ILE 963 N -0.86 0.73 0.12 0.00 1.01 -1.26 -0.65 121.20 120.29 3fg4 s ILE 963 Ca 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.31 3fg4 s ILE 963 Cb 0.03 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 3fg4 s ILE 963 CO 0.10 0.18 -0.16 -0.76 0.00 0.00 0.00 174.94 174.30 3fg4 s LEU 964 N -0.30 2.36 -0.00 2.97 1.43 -1.24 -3.49 118.68 120.40 3fg4 s LEU 964 Ca 0.03 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 3fg4 s LEU 964 Cb -0.04 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.43 3fg4 s LEU 964 CO -0.00 -0.07 0.31 0.54 0.23 0.00 0.00 176.35 177.36 3fg4 n ARG 965 N 0.76 4.50 -4.37 1.70 1.74 0.57 -1.02 116.66 120.54 3fg4 n ARG 965 Ca -0.17 -0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 3fg4 n ARG 965 Cb 0.56 -0.85 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 3fg4 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg4 s HIS 966 N -1.71 1.71 0.63 -1.55 3.76 -1.26 -4.83 115.29 112.04 3fg4 s HIS 966 Ca 0.03 -0.85 -0.10 0.00 -0.15 0.00 0.00 55.06 53.99 3fg4 s HIS 966 Cb 0.05 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 3fg4 s HIS 966 CO 0.30 0.07 1.01 -1.25 -0.85 0.00 0.00 174.74 174.03 3fg4 s PRO 967 N -3.82 3.37 0.95 8.40 0.04 -1.26 -4.77 135.00 137.91 3fg4 s PRO 967 Ca 0.29 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 3fg4 s PRO 967 Cb 0.05 -2.11 0.16 0.00 0.04 0.00 0.00 34.50 32.65 3fg4 s PRO 967 CO 0.10 -0.66 1.12 -1.25 0.04 0.00 0.00 177.00 176.36 3fg4 s PRO 968 N -5.17 0.77 0.60 0.56 0.04 -1.26 -4.98 135.00 125.57 3fg4 s PRO 968 Ca 0.55 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 3fg4 s PRO 968 Cb -0.11 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 3fg4 s PRO 968 CO 0.52 -2.75 1.03 -1.25 0.04 0.00 0.00 177.00 174.59 3fg4 s PRO 969 N -4.64 3.51 -0.14 0.56 0.04 -1.26 -4.97 135.00 128.10 3fg4 s PRO 969 Ca 0.67 0.92 0.15 0.00 0.04 0.00 0.00 61.00 62.78 3fg4 s PRO 969 Cb -0.23 -2.07 0.55 0.00 0.04 0.00 0.00 34.50 32.80 3fg4 s PRO 969 CO 0.59 -0.64 1.46 1.63 0.04 0.00 0.00 177.00 180.08 3fg4 n LYS 970 N -2.40 3.29 -3.62 4.56 5.02 -1.26 -4.79 118.16 118.95 3fg4 n LYS 970 Ca 0.07 -2.73 -0.02 0.00 -2.02 0.00 0.00 58.31 53.61 3fg4 n LYS 970 Cb 0.54 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 3fg4 n LYS 970 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3fg4 s LYS 971 N -2.32 0.50 0.30 1.97 -2.85 -1.26 -4.25 119.74 111.83 3fg4 s LYS 971 Ca 0.41 -0.25 -0.08 0.00 -1.00 0.00 0.00 55.97 55.05 3fg4 s LYS 971 Cb 0.31 0.19 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 3fg4 s LYS 971 CO 0.13 -0.22 0.62 0.15 0.10 0.00 0.00 175.35 176.13 3fg4 s LYS 972 N -2.58 3.75 0.00 1.78 1.02 -1.26 -4.52 119.74 117.93 3fg4 s LYS 972 Ca 0.12 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.36 3fg4 s LYS 972 Cb 0.02 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3fg4 s LYS 972 CO -0.04 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 3fg4 n GLY 973 N -0.74 0.61 0.09 -3.33 0.00 -1.26 -4.99 105.19 95.57 3fg4 n GLY 973 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3fg4 n GLY 973 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg4 h GLU 974 N 2.48 0.00 -6.77 1.61 5.08 -2.00 -3.47 114.58 111.51 3fg4 h GLU 974 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3fg4 h GLU 974 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 3fg4 h GLU 974 CO 0.00 0.69 0.70 0.00 -1.00 0.00 0.00 179.01 179.40 3fg4 s ALA 975 N -2.78 3.57 0.34 3.43 0.00 -1.26 -4.93 121.76 120.13 3fg4 s ALA 975 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.25 3fg4 s ALA 975 Cb 0.09 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3fg4 s ALA 975 CO 0.80 -0.67 0.09 0.95 0.00 0.00 0.00 175.76 176.94 3fg4 s THR 976 N -0.31 0.85 0.18 0.00 -4.23 -1.26 -4.69 115.64 106.18 3fg4 s THR 976 Ca 0.56 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 3fg4 s THR 976 Cb -0.40 -2.60 0.10 0.00 1.34 0.00 0.00 72.50 70.93 3fg4 s THR 976 CO 0.45 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.60 3fg4 h LEU 977 N 2.05 0.75 -0.52 4.79 5.85 -1.96 0.89 115.31 127.16 3fg4 h LEU 977 Ca -0.38 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3fg4 h LEU 977 Cb 1.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3fg4 h LEU 977 CO 0.63 0.58 0.27 -0.61 -0.34 0.00 0.00 178.44 178.97 3fg4 h GLN 978 N 0.84 0.73 -0.26 1.25 4.15 -1.96 0.24 115.11 120.10 3fg4 h GLN 978 Ca 0.22 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 3fg4 h GLN 978 Cb -0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3fg4 h GLN 978 CO -0.04 0.58 -0.41 0.66 -1.93 0.00 0.00 178.83 177.69 3fg4 h SER 979 N 0.69 0.66 -0.49 -0.69 4.64 -1.85 -2.02 113.55 114.49 3fg4 h SER 979 Ca 0.18 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3fg4 h SER 979 Cb 0.08 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3fg4 h SER 979 CO -0.03 0.99 0.31 0.40 -0.87 0.00 0.00 176.83 177.64 3fg4 h ILE 980 N 0.51 1.09 0.00 0.95 2.04 -0.46 -2.23 117.51 119.42 3fg4 h ILE 980 Ca 0.04 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3fg4 h ILE 980 Cb 0.93 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3fg4 h ILE 980 CO 0.08 0.11 -0.19 -0.07 0.00 0.00 0.00 178.15 178.09 3fg4 h LEU 981 N 0.63 0.00 0.00 1.44 3.38 -0.22 -0.81 115.31 119.73 3fg4 h LEU 981 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fg4 h LEU 981 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3fg4 h LEU 981 CO -0.06 0.19 -0.18 0.28 0.09 0.00 0.00 178.44 178.77 3fg4 h SER 982 N 0.00 0.00 0.27 -0.43 0.02 -1.02 -3.29 113.55 109.10 3fg4 h SER 982 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3fg4 h SER 982 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fg4 h SER 982 CO 0.02 0.07 -1.72 0.74 -1.14 0.00 0.00 176.83 174.81 3fg4 h THR 983 N 0.00 0.96 -4.06 -2.27 2.02 -0.73 -3.42 112.91 105.40 3fg4 h THR 983 Ca -0.00 -2.58 -0.50 0.00 0.77 0.00 0.00 66.41 64.09 3fg4 h THR 983 Cb 1.06 2.72 0.20 0.00 -1.74 0.00 0.00 68.15 70.39 3fg4 h THR 983 CO 0.01 0.84 0.19 -0.76 0.37 0.00 0.00 175.52 176.16 3fg4 s LEU 984 N -7.14 2.43 0.36 2.58 1.43 -0.39 -0.32 118.68 117.63 3fg4 s LEU 984 Ca -0.14 2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 3fg4 s LEU 984 Cb 0.06 -4.32 -0.12 0.00 0.03 0.00 0.00 46.19 41.83 3fg4 s LEU 984 CO 0.84 -3.27 0.96 -2.65 0.23 0.00 0.00 176.35 172.47 3fg4 n PRO 985 N -4.33 1.28 -0.78 1.29 -0.02 -1.23 -4.68 135.00 126.53 3fg4 n PRO 985 Ca 0.10 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 3fg4 n PRO 985 Cb 0.53 -1.90 0.20 0.00 -0.02 0.00 0.00 33.50 32.31 3fg4 n PRO 985 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fg4 s SER 986 N -0.67 2.16 0.39 2.55 1.04 -1.26 -4.78 113.70 113.14 3fg4 s SER 986 Ca 0.61 1.66 0.11 0.00 0.48 0.00 0.00 55.95 58.81 3fg4 s SER 986 Cb -0.63 -2.31 0.91 0.00 0.10 0.00 0.00 66.02 64.09 3fg4 s SER 986 CO 0.59 -3.49 1.93 0.07 0.98 0.00 0.00 173.24 173.32 3fg4 h LYS 987 N -2.13 0.55 0.08 4.02 2.10 -1.98 -1.43 116.57 117.78 3fg4 h LYS 987 Ca -0.54 -0.03 -0.27 0.00 -2.00 0.00 0.00 60.65 57.81 3fg4 h LYS 987 Cb 1.30 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 3fg4 h LYS 987 CO 0.50 0.36 -1.36 0.66 -2.00 0.00 0.00 179.45 177.61 3fg4 h SER 988 N 0.57 0.26 -0.67 7.07 4.64 -1.98 -1.46 113.55 121.98 3fg4 h SER 988 Ca 0.35 -0.34 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3fg4 h SER 988 Cb 0.59 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3fg4 h SER 988 CO -0.12 1.27 0.34 1.56 -0.87 0.00 0.00 176.83 179.01 3fg4 h GLN 989 N 0.05 0.58 -0.31 4.77 4.20 -1.81 0.34 115.11 122.93 3fg4 h GLN 989 Ca -0.17 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 3fg4 h GLN 989 Cb 1.95 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.59 3fg4 h GLN 989 CO 0.15 0.38 -0.35 0.00 -0.67 0.00 0.00 178.83 178.35 3fg4 h ALA 990 N 1.39 0.46 -0.40 3.87 0.00 -1.21 -0.30 119.26 123.07 3fg4 h ALA 990 Ca 0.32 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3fg4 h ALA 990 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fg4 h ALA 990 CO -0.24 0.53 0.21 0.00 0.00 0.00 0.00 179.25 179.75 3fg4 h ALA 991 N 0.72 0.52 -0.35 0.00 0.00 -0.96 -1.45 119.26 117.73 3fg4 h ALA 991 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3fg4 h ALA 991 Cb 0.93 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3fg4 h ALA 991 CO 0.08 0.06 -0.07 0.87 0.00 0.00 0.00 179.25 180.19 3fg4 h LYS 992 N 0.52 0.58 -0.90 0.00 1.57 -0.12 -1.32 116.57 116.90 3fg4 h LYS 992 Ca 0.14 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3fg4 h LYS 992 Cb 0.09 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3fg4 h LYS 992 CO -0.02 0.66 0.59 0.00 -0.57 0.00 0.00 179.45 180.11 3fg4 h ALA 993 N 1.39 1.15 -0.52 3.86 0.00 -0.55 -2.07 119.26 122.52 3fg4 h ALA 993 Ca 0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3fg4 h ALA 993 Cb 0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fg4 h ALA 993 CO 0.02 0.52 -0.10 0.82 0.00 0.00 0.00 179.25 180.51 3fg4 h ILE 994 N 1.20 1.27 -0.70 0.00 2.04 -0.85 -2.13 117.51 118.33 3fg4 h ILE 994 Ca 0.34 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3fg4 h ILE 994 Cb -0.11 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3fg4 h ILE 994 CO -0.08 0.44 0.41 0.00 0.00 0.00 0.00 178.15 178.91 3fg4 h ALA 995 N 1.01 0.90 -0.29 1.87 0.00 -0.99 0.26 119.26 122.01 3fg4 h ALA 995 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fg4 h ALA 995 Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3fg4 h ALA 995 CO 0.05 0.39 0.16 1.15 0.00 0.00 0.00 179.25 180.99 3fg4 h THR 996 N 0.96 1.13 -0.70 0.00 2.02 -1.19 -2.17 112.91 112.96 3fg4 h THR 996 Ca 0.25 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3fg4 h THR 996 Cb -0.00 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3fg4 h THR 996 CO -0.04 0.13 0.41 0.58 0.37 0.00 0.00 175.52 176.97 3fg4 h VAL 997 N 0.36 1.21 -0.21 3.16 2.07 -1.04 0.02 116.25 121.81 3fg4 h VAL 997 Ca 0.10 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3fg4 h VAL 997 Cb 0.07 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 3fg4 h VAL 997 CO -0.02 0.22 -0.09 0.22 0.02 0.00 0.00 177.57 177.92 3fg4 h TYR 998 N 0.96 -0.22 -0.12 1.57 3.20 -0.70 -1.68 116.97 119.98 3fg4 h TYR 998 Ca 0.25 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3fg4 h TYR 998 Cb -0.01 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3fg4 h TYR 998 CO -0.01 -0.15 0.08 0.82 -1.64 0.00 0.00 178.16 177.26 3fg4 h ILE 999 N -0.06 1.06 0.00 1.81 2.04 -1.07 -2.86 117.51 118.44 3fg4 h ILE 999 Ca 0.11 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3fg4 h ILE 999 Cb 0.23 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3fg4 h ILE 999 CO -0.25 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.14 3fg4 n LEU 1000N -4.98 0.05 -0.22 1.44 4.77 -0.04 -3.00 117.00 115.02 3fg4 n LEU 1000Ca -0.05 0.51 0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3fg4 n LEU 1000Cb 0.05 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 3fg4 n LEU 1000CO 0.34 -0.11 0.43 0.35 -1.33 0.00 0.00 177.39 177.07 3fg4 n THR 1001N -1.55 0.48 -2.43 -5.08 -2.24 -0.65 -4.86 114.28 97.94 3fg4 n THR 1001Ca 0.06 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3fg4 n THR 1001Cb 0.28 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3fg4 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg4 s LYS 1002N -0.68 3.47 0.32 -0.78 2.20 -1.08 -5.00 119.74 118.18 3fg4 s LYS 1002Ca 0.07 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 3fg4 s LYS 1002Cb 0.04 -4.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.21 3fg4 s LYS 1002CO 0.06 -1.72 1.47 -0.06 -0.36 0.00 0.00 175.35 174.74 3fg4 s PHE 1003N 5.51 2.81 0.50 4.03 2.99 -1.26 -4.99 117.98 127.57 3fg4 s PHE 1003Ca 0.53 1.09 -0.09 0.00 0.00 0.00 0.00 56.93 58.47 3fg4 s PHE 1003Cb -0.11 -3.92 -0.05 0.00 0.00 0.00 0.00 43.02 38.95 3fg4 s PHE 1003CO 0.28 -2.85 0.86 0.45 -0.00 0.00 0.00 175.22 173.97 3fg4 s SER 1004N 0.06 6.33 0.59 1.36 0.15 -1.26 -4.96 113.70 115.97 3fg4 s SER 1004Ca 0.56 1.15 0.37 0.00 0.70 0.00 0.00 55.95 58.72 3fg4 s SER 1004Cb -0.44 -2.34 1.70 0.00 -1.71 0.00 0.00 66.02 63.22 3fg4 s SER 1004CO 0.53 -0.62 2.11 1.05 1.20 0.00 0.00 173.24 177.51 3fg4 h GLU 1005N 0.35 0.00 -0.60 5.44 9.09 -1.96 -1.72 114.58 125.18 3fg4 h GLU 1005Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3fg4 h GLU 1005Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3fg4 h GLU 1005CO 0.62 0.01 0.00 -0.40 0.05 0.00 0.00 179.01 179.29 3fg4 n ASP 1006N -3.11 4.02 -4.75 3.06 5.75 -1.26 -5.01 116.55 115.25 3fg4 n ASP 1006Ca -0.01 -2.20 -0.40 0.00 -0.01 0.00 0.00 54.79 52.17 3fg4 n ASP 1006Cb 0.23 -0.47 0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3fg4 n ASP 1006CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3fg4 n GLU 1007N 1.13 2.19 -4.67 0.11 4.07 -0.65 -4.99 120.64 117.84 3fg4 n GLU 1007Ca 0.22 0.78 -0.33 0.00 -0.06 0.00 0.00 57.16 57.77 3fg4 n GLU 1007Cb 0.69 -2.58 -0.14 0.00 -0.06 0.00 0.00 31.44 29.34 3fg4 n GLU 1007CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3fg4 s ARG 1008N -2.40 3.42 0.46 5.31 0.52 -1.26 -5.05 118.95 119.96 3fg4 s ARG 1008Ca 0.61 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 55.25 3fg4 s ARG 1008Cb -0.46 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.35 3fg4 s ARG 1008CO 0.58 0.19 0.62 0.71 0.02 0.00 0.00 175.30 177.42 3fg4 s TYR 1009N 0.42 2.40 0.03 -0.53 1.51 -1.26 -1.25 117.35 118.67 3fg4 s TYR 1009Ca -0.09 -0.50 -0.32 0.00 -1.01 0.00 0.00 57.07 55.15 3fg4 s TYR 1009Cb -0.16 -2.32 -0.11 0.00 -0.11 0.00 0.00 41.96 39.27 3fg4 s TYR 1009CO 0.05 -0.61 1.85 -0.11 -1.11 0.00 0.00 175.55 175.62 3fg4 n LEU 1010N -1.95 3.75 0.00 -1.29 7.94 0.67 -0.58 117.00 125.54 3fg4 n LEU 1010Ca 0.10 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 3fg4 n LEU 1010Cb 0.60 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3fg4 n LEU 1010CO 0.39 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3fg4 n GLY 1011N 4.27 1.12 3.55 -3.96 0.00 -1.26 -4.90 105.19 104.01 3fg4 n GLY 1011Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3fg4 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg4 s ASN 1012N -2.32 6.15 -0.41 1.61 3.84 0.25 -4.79 114.94 119.27 3fg4 s ASN 1012Ca 0.00 -0.74 0.05 0.00 0.21 0.00 0.00 52.86 52.38 3fg4 s ASN 1012Cb 0.00 -2.56 0.63 0.00 -0.55 0.00 0.00 41.25 38.77 3fg4 s ASN 1012CO 0.00 -1.82 1.79 -1.22 -2.79 0.00 0.00 177.10 173.06 3fg4 n TYR 1013N 9.74 2.52 0.29 0.43 4.01 -1.26 -4.68 117.16 128.21 3fg4 n TYR 1013Ca 0.17 -1.78 0.17 0.00 -0.16 0.00 0.00 57.90 56.29 3fg4 n TYR 1013Cb 0.50 -0.82 0.87 0.00 -0.31 0.00 0.00 39.34 39.58 3fg4 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg4 h SER 1014N 1.01 0.00 -1.01 7.72 4.64 -1.99 -2.56 113.55 121.36 3fg4 h SER 1014Ca 0.52 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 61.22 3fg4 h SER 1014Cb 2.54 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 64.27 3fg4 h SER 1014CO 0.91 0.05 0.07 0.00 -0.87 0.00 0.00 176.83 177.00 3fg4 n ALA 1015N -2.19 5.72 -2.59 5.18 0.00 -1.26 -5.01 120.51 120.35 3fg4 n ALA 1015Ca -0.02 -3.72 -0.23 0.00 0.00 0.00 0.00 53.44 49.47 3fg4 n ALA 1015Cb 0.19 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 3fg4 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 1016N -4.81 3.27 -0.25 0.00 -4.23 -0.97 -4.95 115.64 103.71 3fg4 s THR 1016Ca 0.57 -1.78 0.14 0.00 -1.18 0.00 0.00 61.69 59.44 3fg4 s THR 1016Cb 0.46 -2.94 0.78 0.00 1.34 0.00 0.00 72.50 72.14 3fg4 s THR 1016CO -0.03 -0.27 1.73 0.00 -0.54 0.00 0.00 174.62 175.51 3fg4 n ALA 1017N -1.04 3.92 -1.76 3.99 0.00 -1.26 -4.99 120.51 119.37 3fg4 n ALA 1017Ca -0.05 -2.04 -0.40 0.00 0.00 0.00 0.00 53.44 50.94 3fg4 n ALA 1017Cb 0.60 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 3fg4 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s TRP 1018N -2.82 3.45 0.00 0.00 0.52 -1.26 -4.78 118.94 114.04 3fg4 s TRP 1018Ca 0.54 1.63 0.00 0.00 0.02 0.00 0.00 56.10 58.29 3fg4 s TRP 1018Cb 0.42 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 29.35 3fg4 s TRP 1018CO 0.15 -0.88 0.00 0.39 0.02 0.00 0.00 176.95 176.63 3fg4 n GLU 1019N 1.09 2.33 -1.90 4.98 -0.58 -1.26 -5.04 120.64 120.26 3fg4 n GLU 1019Ca -0.01 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 3fg4 n GLU 1019Cb 0.44 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.40 3fg4 n GLU 1019CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3fg4 s ASP 1020N -2.12 6.53 0.22 1.62 -1.08 -1.26 -4.90 116.67 115.69 3fg4 s ASP 1020Ca 0.00 2.74 -0.07 0.00 -0.52 0.00 0.00 52.55 54.71 3fg4 s ASP 1020Cb 0.00 -2.61 0.18 0.00 -1.46 0.00 0.00 42.92 39.03 3fg4 s ASP 1020CO 0.00 -0.82 1.75 0.11 0.52 0.00 0.00 175.17 176.73 3fg4 h LYS 1021N 5.72 1.09 -0.45 4.34 1.79 -1.99 -1.47 116.57 125.60 3fg4 h LYS 1021Ca -0.45 -0.24 -0.12 0.00 -2.18 0.00 0.00 60.65 57.66 3fg4 h LYS 1021Cb 1.21 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 3fg4 h LYS 1021CO 0.84 0.95 -0.20 -0.44 -1.08 0.00 0.00 179.45 179.52 3fg4 h ASP 1022N 1.05 0.91 -0.65 0.86 3.45 -1.99 -0.21 116.42 119.84 3fg4 h ASP 1022Ca 0.22 -0.33 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 3fg4 h ASP 1022Cb 0.33 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 3fg4 h ASP 1022CO -0.00 1.08 0.35 0.00 -1.57 0.00 0.00 179.24 179.10 3fg4 h ALA 1023N 0.98 0.83 -0.50 3.45 0.00 -1.86 -0.88 119.26 121.29 3fg4 h ALA 1023Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3fg4 h ALA 1023Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3fg4 h ALA 1023CO 0.06 0.36 0.05 -0.07 0.00 0.00 0.00 179.25 179.65 3fg4 h LEU 1024N 0.89 0.76 -0.80 0.00 3.38 -0.90 -0.96 115.31 117.68 3fg4 h LEU 1024Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3fg4 h LEU 1024Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3fg4 h LEU 1024CO -0.03 0.80 0.27 0.44 0.09 0.00 0.00 178.44 180.00 3fg4 h ASP 1025N 0.76 1.08 -0.53 -0.43 3.32 -0.69 -1.03 116.42 118.90 3fg4 h ASP 1025Ca 0.16 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3fg4 h ASP 1025Cb 0.39 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3fg4 h ASP 1025CO 0.01 0.98 0.15 0.00 -1.72 0.00 0.00 179.24 178.66 3fg4 h ALA 1026N 1.16 1.17 -0.30 3.45 0.00 -0.58 -1.91 119.26 122.25 3fg4 h ALA 1026Ca 0.25 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3fg4 h ALA 1026Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fg4 h ALA 1026CO -0.01 0.57 -0.07 0.82 0.00 0.00 0.00 179.25 180.55 3fg4 h ILE 1027N 0.86 1.28 -0.15 0.00 2.04 -0.93 -1.53 117.51 119.08 3fg4 h ILE 1027Ca 0.19 -1.11 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3fg4 h ILE 1027Cb 0.30 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3fg4 h ILE 1027CO -0.00 0.36 -0.27 0.78 0.00 0.00 0.00 178.15 179.02 3fg4 h ASN 1028N 0.35 -0.84 -0.56 1.72 2.35 -0.98 0.10 115.58 117.72 3fg4 h ASN 1028Ca 0.08 0.13 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 3fg4 h ASN 1028Cb 0.56 0.37 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 3fg4 h ASN 1028CO 0.03 -0.31 0.16 0.03 -1.65 0.00 0.00 177.43 175.69 3fg4 h ARG 1029N -0.33 0.31 -0.36 0.81 3.08 -1.29 0.08 114.38 116.67 3fg4 h ARG 1029Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3fg4 h ARG 1029Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3fg4 h ARG 1029CO -0.33 0.20 0.17 0.35 -1.07 0.00 0.00 179.97 179.29 3fg4 h PHE 1030N 0.32 0.52 -0.62 3.04 3.57 -0.63 -0.01 116.94 123.12 3fg4 h PHE 1030Ca 0.28 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3fg4 h PHE 1030Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3fg4 h PHE 1030CO -0.20 0.44 0.06 1.96 -2.23 0.00 0.00 178.31 178.34 3fg4 h GLN 1031N 0.44 1.05 -0.58 1.11 4.20 -0.43 0.20 115.11 121.10 3fg4 h GLN 1031Ca 0.12 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 3fg4 h GLN 1031Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3fg4 h GLN 1031CO -0.02 0.99 0.05 -0.44 -0.67 0.00 0.00 178.83 178.74 3fg4 h ASP 1032N 0.97 0.93 -0.58 1.46 3.32 -0.70 -1.67 116.42 120.15 3fg4 h ASP 1032Ca 0.19 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3fg4 h ASP 1032Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3fg4 h ASP 1032CO 0.02 0.96 0.19 0.50 -1.72 0.00 0.00 179.24 179.18 3fg4 h LYS 1033N 0.90 0.91 -0.76 3.56 1.63 -0.60 -1.82 116.57 120.39 3fg4 h LYS 1033Ca 0.18 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3fg4 h LYS 1033Cb 0.46 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 3fg4 h LYS 1033CO 0.02 0.81 0.37 -0.07 -3.45 0.00 0.00 179.45 177.13 3fg4 h LEU 1034N 0.82 0.97 -0.59 5.20 3.38 -0.80 -0.44 115.31 123.87 3fg4 h LEU 1034Ca 0.19 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3fg4 h LEU 1034Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3fg4 h LEU 1034CO -0.01 0.81 0.14 -0.08 0.09 0.00 0.00 178.44 179.40 3fg4 h GLU 1035N 1.07 0.94 -0.35 1.13 4.81 -1.04 0.80 114.58 121.94 3fg4 h GLU 1035Ca 0.26 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3fg4 h GLU 1035Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3fg4 h GLU 1035CO -0.04 0.87 0.21 0.22 -0.73 0.00 0.00 179.01 179.54 3fg4 h ASP 1036N 0.85 0.34 -0.84 1.04 3.58 -0.85 -2.01 116.42 118.53 3fg4 h ASP 1036Ca 0.18 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.71 3fg4 h ASP 1036Cb 0.35 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 3fg4 h ASP 1036CO 0.00 0.25 0.55 0.40 -2.88 0.00 0.00 179.24 177.55 3fg4 h ILE 1037N 0.42 1.03 -0.21 2.25 2.04 -0.87 -2.60 117.51 119.57 3fg4 h ILE 1037Ca 0.14 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3fg4 h ILE 1037Cb -0.01 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3fg4 h ILE 1037CO -0.06 0.16 0.06 -1.28 0.00 0.00 0.00 178.15 177.04 3fg4 h SER 1038N 0.90 0.31 -0.56 1.72 0.87 -0.44 -1.68 113.55 114.68 3fg4 h SER 1038Ca 0.37 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3fg4 h SER 1038Cb 0.26 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3fg4 h SER 1038CO -0.14 0.44 0.15 0.11 -0.53 0.00 0.00 176.83 176.86 3fg4 h LYS 1039N 0.17 0.93 -0.66 2.24 6.56 -1.20 -1.62 116.57 122.98 3fg4 h LYS 1039Ca 0.07 -0.20 -0.08 0.00 -1.06 0.00 0.00 60.65 59.38 3fg4 h LYS 1039Cb 0.24 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 3fg4 h LYS 1039CO -0.00 0.82 0.11 0.87 -2.06 0.00 0.00 179.45 179.19 3fg4 h LYS 1040N 0.89 1.08 -0.32 3.15 1.57 -1.36 -0.74 116.57 120.84 3fg4 h LYS 1040Ca 0.19 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3fg4 h LYS 1040Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3fg4 h LYS 1040CO -0.00 0.99 -0.37 0.82 -0.57 0.00 0.00 179.45 180.32 3fg4 h ILE 1041N 1.02 1.28 -0.57 1.86 2.04 -0.96 -1.65 117.51 120.53 3fg4 h ILE 1041Ca 0.20 -1.53 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 3fg4 h ILE 1041Cb 0.43 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3fg4 h ILE 1041CO 0.01 0.50 0.01 0.11 0.00 0.00 0.00 178.15 178.78 3fg4 h LYS 1042N 0.62 1.00 -0.28 2.37 1.57 -0.77 -0.01 116.57 121.08 3fg4 h LYS 1042Ca 0.06 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 3fg4 h LYS 1042Cb 0.91 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3fg4 h LYS 1042CO 0.08 0.99 -0.30 1.96 -0.57 0.00 0.00 179.45 181.61 3fg4 h GLN 1043N 0.89 0.57 -0.35 3.15 4.20 -1.13 -1.73 115.11 120.71 3fg4 h GLN 1043Ca 0.16 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3fg4 h GLN 1043Cb 0.53 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3fg4 h GLN 1043CO 0.03 0.81 0.06 -0.09 -0.67 0.00 0.00 178.83 178.97 3fg4 h ARG 1044N 0.49 0.57 -0.20 1.46 1.12 -1.05 -3.24 114.38 113.53 3fg4 h ARG 1044Ca 0.06 -0.15 -0.05 0.00 -1.11 0.00 0.00 59.98 58.73 3fg4 h ARG 1044Cb 0.77 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 3fg4 h ARG 1044CO 0.06 0.64 -0.12 -0.91 -3.11 0.00 0.00 179.97 176.53 3fg4 h ASN 1045N 0.41 0.31 0.92 -3.80 2.35 -0.47 -2.33 115.58 112.97 3fg4 h ASN 1045Ca 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3fg4 h ASN 1045Cb 0.34 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3fg4 h ASN 1045CO 0.01 0.46 0.00 -1.84 -1.65 0.00 0.00 177.43 174.40 3fg4 n GLU 1046N -4.25 0.20 -0.34 0.81 0.28 -0.70 -1.22 120.64 115.42 3fg4 n GLU 1046Ca -0.00 0.36 0.11 0.00 -0.16 0.00 0.00 57.16 57.46 3fg4 n GLU 1046Cb 0.28 -1.83 0.30 0.00 1.43 0.00 0.00 31.44 31.61 3fg4 n GLU 1046CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3fg4 n ASN 1047N -2.20 3.59 -4.86 -1.84 3.02 -0.88 -4.97 115.26 107.12 3fg4 n ASN 1047Ca 0.03 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.25 3fg4 n ASN 1047Cb 0.28 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 3fg4 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 1048N -1.01 4.21 0.20 3.41 1.43 -0.35 -5.00 118.68 121.57 3fg4 s LEU 1048Ca 0.45 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.79 3fg4 s LEU 1048Cb 0.23 -2.43 0.15 0.00 0.03 0.00 0.00 46.19 44.17 3fg4 s LEU 1048CO 0.31 0.28 1.60 -0.33 0.23 0.00 0.00 176.35 178.44 3fg4 h GLU 1049N 4.05 0.79 -3.98 1.70 5.08 -1.93 -3.37 114.58 116.92 3fg4 h GLU 1049Ca -0.50 -0.34 -0.63 0.00 -1.00 0.00 0.00 59.36 56.90 3fg4 h GLU 1049Cb 1.19 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 30.01 3fg4 h GLU 1049CO 0.65 0.96 -0.72 0.08 -1.00 0.00 0.00 179.01 178.98 3fg4 s VAL 1050N -4.55 1.76 0.65 3.13 1.01 -1.26 -5.12 120.40 116.02 3fg4 s VAL 1050Ca -0.09 -2.18 -0.17 0.00 0.00 0.00 0.00 61.98 59.53 3fg4 s VAL 1050Cb 0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3fg4 s VAL 1050CO 0.84 -0.68 0.95 -2.65 0.00 0.00 0.00 175.10 173.56 3fg4 n PRO 1051N 4.23 0.75 -3.70 2.72 -0.02 -1.26 -4.96 135.00 132.76 3fg4 n PRO 1051Ca 0.03 0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 3fg4 n PRO 1051Cb 0.40 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 3fg4 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg4 s TYR 1052N -1.62 3.43 -1.39 6.00 5.04 -1.26 -4.96 117.35 122.59 3fg4 s TYR 1052Ca 0.76 -1.93 0.15 0.00 -2.44 0.00 0.00 57.07 53.60 3fg4 s TYR 1052Cb -0.39 -3.01 0.01 0.00 0.35 0.00 0.00 41.96 38.92 3fg4 s TYR 1052CO 0.48 -0.91 0.82 0.44 -1.34 0.00 0.00 175.55 175.04 3fg4 n ILE 1053N 4.76 0.00 0.25 3.14 -5.35 -1.26 -4.67 119.36 116.23 3fg4 n ILE 1053Ca -0.07 -0.37 0.15 0.00 -0.27 0.00 0.00 62.75 62.18 3fg4 n ILE 1053Cb 0.42 1.19 0.41 0.00 -1.74 0.00 0.00 39.64 39.92 3fg4 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg4 h TYR 1054N 1.77 0.00 -0.52 4.28 0.99 -1.95 -2.75 116.97 118.79 3fg4 h TYR 1054Ca 0.00 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 3fg4 h TYR 1054Cb 0.51 0.00 -0.06 0.00 1.00 0.00 0.00 36.73 38.17 3fg4 h TYR 1054CO 0.00 0.00 0.10 1.28 -0.00 0.00 0.00 178.16 179.54 3fg4 n LEU 1055N -3.09 5.16 -4.71 3.88 4.77 -1.26 -4.46 117.00 117.27 3fg4 n LEU 1055Ca 0.02 -3.17 -0.42 0.00 -0.03 0.00 0.00 56.01 52.41 3fg4 n LEU 1055Cb 0.42 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3fg4 n LEU 1055CO 0.31 0.78 0.96 -0.76 -1.33 0.00 0.00 177.39 177.36 3fg4 s LEU 1056N -2.94 4.37 0.37 2.23 1.43 -1.04 -4.94 118.68 118.17 3fg4 s LEU 1056Ca 0.50 2.16 0.16 0.00 -1.03 0.00 0.00 54.13 55.93 3fg4 s LEU 1056Cb 0.40 -3.58 1.06 0.00 0.03 0.00 0.00 46.19 44.10 3fg4 s LEU 1056CO 0.11 -0.55 1.75 -0.65 0.23 0.00 0.00 176.35 177.24 3fg4 h PRO 1057N 6.76 0.42 0.00 1.29 0.11 -1.92 0.34 132.00 139.00 3fg4 h PRO 1057Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fg4 h PRO 1057Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fg4 h PRO 1057CO 0.83 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 3fg4 n GLU 1058N -4.72 0.20 -0.01 1.05 0.28 -1.26 -1.73 120.64 114.45 3fg4 n GLU 1058Ca 0.27 0.13 0.03 0.00 -0.16 0.00 0.00 57.16 57.42 3fg4 n GLU 1058Cb 0.87 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.27 3fg4 n GLU 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3fg4 n ARG 1059N -1.34 0.02 -3.55 3.44 1.74 0.11 -4.92 116.66 112.17 3fg4 n ARG 1059Ca 0.08 -0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 55.85 3fg4 n ARG 1059Cb 0.17 -1.10 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 3fg4 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg4 s ILE 1060N -0.49 4.96 0.62 0.55 1.01 -0.71 -4.94 121.20 122.21 3fg4 s ILE 1060Ca 0.06 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3fg4 s ILE 1060Cb 0.04 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3fg4 s ILE 1060CO 0.07 -0.16 1.31 -2.84 0.00 0.00 0.00 174.94 173.31 3fg4 s PRO 1061N 1.64 2.72 0.47 2.79 0.02 -1.26 -0.24 135.00 141.14 3fg4 s PRO 1061Ca 0.04 2.10 0.27 0.00 0.02 0.00 0.00 61.00 63.44 3fg4 s PRO 1061Cb -0.18 -1.95 1.33 0.00 0.02 0.00 0.00 34.50 33.71 3fg4 s PRO 1061CO 0.09 -1.48 1.81 -0.91 -0.33 0.00 0.00 177.00 176.17 3fg4 h ASN 1062N 0.79 0.21 -4.49 2.53 2.35 -1.40 -3.40 115.58 112.18 3fg4 h ASN 1062Ca -0.51 0.04 -0.42 0.00 -0.55 0.00 0.00 56.30 54.86 3fg4 h ASN 1062Cb 1.33 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.59 3fg4 h ASN 1062CO 0.54 0.04 -0.41 0.61 -1.65 0.00 0.00 177.43 176.57 3fg4 n GLY 1063N -1.62 3.09 3.31 2.83 0.00 -1.26 -3.84 105.19 107.70 3fg4 n GLY 1063Ca 0.24 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.92 3fg4 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg4 s THR 1064N -3.15 5.19 0.00 2.61 2.01 -0.91 -4.67 115.64 116.72 3fg4 s THR 1064Ca 0.33 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.85 3fg4 s THR 1064Cb 0.02 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.21 3fg4 s THR 1064CO 0.23 -0.85 0.44 0.00 -0.69 0.00 0.00 174.62 173.75 3fg4 n ALA 1065N 5.24 1.44 -1.60 7.40 0.00 -1.26 -1.57 120.51 130.15 3fg4 n ALA 1065Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3fg4 n ALA 1065Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3fg4 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01