#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 3.46 -0.24 1.59 0.00 0.44 -4.73 121.76 122.29 3fg4 s ALA 374 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 3fg4 s ALA 374 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3fg4 s ALA 374 CO 0.00 0.38 0.00 0.42 0.00 0.00 0.00 175.76 176.56 3fg4 s ILE 375 N -1.96 3.67 -0.25 0.00 1.01 -1.26 -2.06 121.20 120.34 3fg4 s ILE 375 Ca 0.31 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 3fg4 s ILE 375 Cb -0.09 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 3fg4 s ILE 375 CO 0.23 0.34 0.16 -0.31 0.00 0.00 0.00 174.94 175.36 3fg4 s TYR 376 N 1.51 3.26 -0.21 3.97 1.51 -0.44 -1.46 117.35 125.48 3fg4 s TYR 376 Ca 0.05 0.13 -0.21 0.00 -1.01 0.00 0.00 57.07 56.03 3fg4 s TYR 376 Cb -0.15 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.37 3fg4 s TYR 376 CO -0.01 -0.05 0.66 -0.80 -1.11 0.00 0.00 175.55 174.24 3fg4 s ASN 377 N 1.36 6.70 -0.18 2.29 0.01 0.55 -2.19 114.94 123.48 3fg4 s ASN 377 Ca 0.07 0.85 -0.00 0.00 -0.71 0.00 0.00 52.86 53.07 3fg4 s ASN 377 Cb -0.15 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.16 3fg4 s ASN 377 CO 0.07 -0.32 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.50 3fg4 s VAL 378 N 2.11 2.61 -0.13 1.60 1.01 -0.06 -1.34 120.40 126.20 3fg4 s VAL 378 Ca 0.29 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3fg4 s VAL 378 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3fg4 s VAL 378 CO 0.10 0.50 -0.16 -0.70 0.00 0.00 0.00 175.10 174.84 3fg4 s GLU 379 N 1.13 3.27 -0.11 2.72 2.12 0.45 -0.11 118.70 128.17 3fg4 s GLU 379 Ca 0.01 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.63 3fg4 s GLU 379 Cb -0.14 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.69 3fg4 s GLU 379 CO -0.05 0.15 -0.23 0.08 -0.54 0.00 0.00 175.26 174.67 3fg4 s VAL 380 N 0.49 2.01 -0.27 3.70 1.01 0.30 -0.47 120.40 127.17 3fg4 s VAL 380 Ca -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 3fg4 s VAL 380 Cb -0.16 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3fg4 s VAL 380 CO 0.05 0.55 0.03 -1.61 0.00 0.00 0.00 175.10 174.11 3fg4 s GLU 381 N 0.47 3.02 0.08 2.72 2.02 0.31 -1.10 118.70 126.22 3fg4 s GLU 381 Ca -0.16 -0.89 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 3fg4 s GLU 381 Cb -0.17 -3.22 -0.06 0.00 0.10 0.00 0.00 34.13 30.77 3fg4 s GLU 381 CO 0.06 -0.41 0.51 0.99 0.02 0.00 0.00 175.26 176.43 3fg4 s THR 382 N 1.44 4.87 0.75 3.63 2.01 -0.15 -0.26 115.64 127.94 3fg4 s THR 382 Ca 0.02 0.95 -0.12 0.00 0.31 0.00 0.00 61.69 62.84 3fg4 s THR 382 Cb -0.17 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.61 3fg4 s THR 382 CO -0.00 0.45 1.12 -0.83 -0.69 0.00 0.00 174.62 174.67 3fg4 s GLY 383 N -1.33 1.93 0.09 4.40 0.00 0.27 -2.53 107.32 110.15 3fg4 s GLY 383 Ca 0.31 0.50 0.27 0.00 0.00 0.00 0.00 44.72 45.79 3fg4 s GLY 383 CO 0.18 0.87 1.70 1.22 0.00 0.00 0.00 173.10 177.06 3fg4 n ASP 384 N -3.18 0.46 -4.72 1.64 8.00 -1.26 -1.65 116.55 115.85 3fg4 n ASP 384 Ca 0.11 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.63 3fg4 n ASP 384 Cb 0.52 -0.37 0.11 0.00 -0.02 0.00 0.00 41.12 41.36 3fg4 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg4 s ARG 385 N -3.06 1.87 0.11 -1.24 1.70 -1.26 -4.66 118.95 112.41 3fg4 s ARG 385 Ca 0.11 1.57 -0.33 0.00 -0.47 0.00 0.00 55.73 56.61 3fg4 s ARG 385 Cb 0.16 -1.82 -0.13 0.00 -0.57 0.00 0.00 34.95 32.59 3fg4 s ARG 385 CO 0.61 -2.00 1.71 -1.91 -1.08 0.00 0.00 175.30 172.63 3fg4 n GLU 386 N -3.29 2.37 -0.89 3.89 2.13 -1.26 -2.19 120.64 121.40 3fg4 n GLU 386 Ca 0.12 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3fg4 n GLU 386 Cb 0.51 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3fg4 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg4 n HIS 387 N 4.60 0.00 0.21 4.31 8.25 -1.26 -4.65 115.22 126.67 3fg4 n HIS 387 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 3fg4 n HIS 387 Cb 0.31 -0.17 0.45 0.00 1.12 0.00 0.00 29.99 31.70 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 1.27 -2.20 -1.41 0.00 -1.71 -3.43 119.26 111.78 3fg4 h ALA 388 Ca 0.00 -0.28 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 3fg4 h ALA 388 Cb 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 17.79 17.91 3fg4 h ALA 388 CO 0.00 0.38 0.21 0.20 0.00 0.00 0.00 179.25 180.05 3fg4 s GLY 389 N -4.29 1.60 0.01 0.00 0.00 -1.26 -0.65 107.32 102.72 3fg4 s GLY 389 Ca -0.02 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 43.71 3fg4 s GLY 389 CO 0.68 -0.01 0.55 -1.08 0.00 0.00 0.00 173.10 173.24 3fg4 s THR 390 N -3.15 0.02 -0.04 0.90 -1.32 -0.47 -4.49 115.64 107.09 3fg4 s THR 390 Ca 0.68 -0.18 0.07 0.00 -1.21 0.00 0.00 61.69 61.05 3fg4 s THR 390 Cb -0.12 -0.94 0.10 0.00 -1.51 0.00 0.00 72.50 70.03 3fg4 s THR 390 CO 0.56 -0.10 1.03 -0.90 -2.21 0.00 0.00 174.62 172.99 3fg4 n ASP 391 N 0.67 1.96 -4.71 8.08 5.75 -1.26 -3.48 116.55 123.55 3fg4 n ASP 391 Ca -0.19 -2.32 -0.32 0.00 -0.01 0.00 0.00 54.79 51.95 3fg4 n ASP 391 Cb 0.59 -0.15 0.13 0.00 -1.03 0.00 0.00 41.12 40.65 3fg4 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg4 s ALA 392 N -1.57 1.86 -0.02 2.12 0.00 -1.26 -4.76 121.76 118.13 3fg4 s ALA 392 Ca 0.11 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3fg4 s ALA 392 Cb 0.10 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3fg4 s ALA 392 CO 0.01 -2.25 0.99 0.99 0.00 0.00 0.00 175.76 175.50 3fg4 s THR 393 N -2.54 4.83 -0.09 0.00 2.01 -1.26 -4.89 115.64 113.70 3fg4 s THR 393 Ca 0.67 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.74 3fg4 s THR 393 Cb -0.23 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 3fg4 s THR 393 CO 0.54 0.13 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.80 3fg4 s ILE 394 N 1.23 2.86 0.22 1.82 -1.09 -1.26 -1.90 121.20 123.08 3fg4 s ILE 394 Ca 0.51 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 3fg4 s ILE 394 Cb -0.21 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 3fg4 s ILE 394 CO 0.26 0.56 -0.13 0.42 -1.23 0.00 0.00 174.94 174.82 3fg4 s THR 395 N -0.10 1.72 -0.01 2.92 -4.23 0.07 -1.20 115.64 114.82 3fg4 s THR 395 Ca -0.03 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.30 3fg4 s THR 395 Cb -0.14 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 3fg4 s THR 395 CO 0.04 -0.54 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.02 3fg4 s ILE 396 N -2.98 0.42 -0.07 2.99 2.07 0.10 -0.62 121.20 123.12 3fg4 s ILE 396 Ca 0.24 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 3fg4 s ILE 396 Cb 0.00 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 3fg4 s ILE 396 CO 0.08 0.13 -0.23 -0.60 -1.91 0.00 0.00 174.94 172.41 3fg4 s ARG 397 N -0.05 2.71 -0.11 3.50 3.52 -0.09 0.24 118.95 128.67 3fg4 s ARG 397 Ca 0.01 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.77 3fg4 s ARG 397 Cb -0.03 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.09 3fg4 s ARG 397 CO -0.00 0.36 -0.15 0.42 -0.81 0.00 0.00 175.30 175.11 3fg4 s ILE 398 N -0.09 2.88 -0.04 4.11 1.01 -1.26 -0.99 121.20 126.81 3fg4 s ILE 398 Ca -0.05 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3fg4 s ILE 398 Cb -0.14 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3fg4 s ILE 398 CO 0.04 0.54 -0.18 -0.89 0.00 0.00 0.00 174.94 174.46 3fg4 s THR 399 N 0.14 1.49 0.09 2.92 2.01 -0.42 -0.77 115.64 121.10 3fg4 s THR 399 Ca -0.08 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 3fg4 s THR 399 Cb -0.15 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3fg4 s THR 399 CO 0.05 0.43 0.13 0.61 -0.69 0.00 0.00 174.62 175.15 3fg4 n GLY 400 N 3.12 2.76 0.36 4.40 0.00 -0.44 0.10 105.19 115.49 3fg4 n GLY 400 Ca -0.18 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 1.63 1.26 -0.06 4.61 0.00 0.91 -2.94 119.26 124.67 3fg4 h ALA 401 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fg4 h ALA 401 Cb 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fg4 h ALA 401 CO 0.09 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.55 3fg4 n LYS 402 N -4.44 1.68 0.00 0.00 5.02 0.60 -5.00 118.16 116.02 3fg4 n LYS 402 Ca 0.12 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 3fg4 n LYS 402 Cb 0.05 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.16 0.44 3.52 0.72 0.00 -1.11 -4.91 105.19 105.01 3fg4 n GLY 403 Ca 0.18 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.81 1.04 0.70 1.61 1.70 -1.26 -1.33 118.95 119.59 3fg4 s ARG 404 Ca 0.00 0.21 -0.08 0.00 -0.47 0.00 0.00 55.73 55.40 3fg4 s ARG 404 Cb 0.00 0.49 0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3fg4 s ARG 404 CO 0.00 -0.33 1.02 0.95 -1.08 0.00 0.00 175.30 175.86 3fg4 s THR 405 N -1.32 2.61 1.04 4.99 -4.23 0.05 -4.88 115.64 113.90 3fg4 s THR 405 Ca -0.10 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 3fg4 s THR 405 Cb -0.00 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3fg4 s THR 405 CO 0.08 -0.15 1.07 -1.81 -0.54 0.00 0.00 174.62 173.28 3fg4 s ASP 406 N -4.47 2.13 0.05 3.99 1.01 -1.26 -4.56 116.67 113.56 3fg4 s ASP 406 Ca 0.59 1.42 -0.31 0.00 0.71 0.00 0.00 52.55 54.96 3fg4 s ASP 406 Cb -0.11 -2.12 -0.08 0.00 1.01 0.00 0.00 42.92 41.63 3fg4 s ASP 406 CO 0.46 -3.47 1.59 -0.31 0.21 0.00 0.00 175.17 173.65 3fg4 s TYR 407 N -2.75 2.52 -0.10 4.23 1.51 -1.26 -4.50 117.35 117.00 3fg4 s TYR 407 Ca 0.66 0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 57.16 3fg4 s TYR 407 Cb -0.21 -3.89 -0.03 0.00 -0.11 0.00 0.00 41.96 37.72 3fg4 s TYR 407 CO 0.60 -3.52 -0.07 -0.51 -1.11 0.00 0.00 175.55 170.95 3fg4 s LEU 408 N 2.61 3.15 0.08 -1.29 1.43 0.14 -4.83 118.68 119.96 3fg4 s LEU 408 Ca 0.71 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 3fg4 s LEU 408 Cb -0.38 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3fg4 s LEU 408 CO 0.31 0.29 1.32 -0.54 0.23 0.00 0.00 176.35 177.96 3fg4 s LYS 409 N -0.38 4.36 -0.74 1.70 -0.14 -1.26 0.03 119.74 123.30 3fg4 s LYS 409 Ca 0.06 1.95 -0.01 0.00 -1.36 0.00 0.00 55.97 56.60 3fg4 s LYS 409 Cb -0.12 -3.32 0.18 0.00 -1.68 0.00 0.00 37.83 32.89 3fg4 s LYS 409 CO 0.02 -0.39 0.58 -0.51 -0.76 0.00 0.00 175.35 174.29 3fg4 s LEU 410 N 1.24 5.28 -0.03 3.17 1.43 -0.34 -4.91 118.68 124.52 3fg4 s LEU 410 Ca 0.62 -3.33 0.12 0.00 -1.03 0.00 0.00 54.13 50.51 3fg4 s LEU 410 Cb -0.33 -1.84 0.20 0.00 0.03 0.00 0.00 46.19 44.25 3fg4 s LEU 410 CO 0.29 -0.25 1.09 -0.67 0.23 0.00 0.00 176.35 177.04 3fg4 n ASP 411 N 2.82 0.68 -4.15 2.29 -0.08 -1.26 -4.38 116.55 112.47 3fg4 n ASP 411 Ca 0.15 -2.23 -0.33 0.00 -1.51 0.00 0.00 54.79 50.86 3fg4 n ASP 411 Cb 0.37 -0.28 -0.15 0.00 2.34 0.00 0.00 41.12 43.40 3fg4 n ASP 411 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3fg4 s LYS 412 N -0.49 2.94 0.00 -0.67 -0.14 -1.26 -5.06 119.74 115.06 3fg4 s LYS 412 Ca 0.17 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 3fg4 s LYS 412 Cb 0.19 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 3fg4 s LYS 412 CO -0.06 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 174.67 3fg4 n GLY 413 N 4.63 0.75 3.94 -3.33 0.00 -1.26 -5.00 105.19 104.91 3fg4 n GLY 413 Ca -0.19 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 3fg4 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 414 N -0.38 4.14 -0.50 1.61 1.04 -1.26 -5.07 113.70 113.27 3fg4 s SER 414 Ca 0.00 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.77 3fg4 s SER 414 Cb 0.00 -0.70 0.14 0.00 0.10 0.00 0.00 66.02 65.56 3fg4 s SER 414 CO 0.00 -2.06 0.28 -0.36 0.98 0.00 0.00 173.24 172.08 3fg4 s PHE 418 N -3.49 2.67 0.53 5.02 0.40 -1.23 -4.99 117.98 116.89 3fg4 s PHE 418 Ca 0.66 -2.86 -0.07 0.00 -0.60 0.00 0.00 56.93 54.06 3fg4 s PHE 418 Cb -0.08 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.05 3fg4 s PHE 418 CO 0.48 -0.74 0.86 -1.21 0.70 0.00 0.00 175.22 175.31 3fg4 s GLU 419 N -0.14 3.47 0.29 0.44 0.41 -1.26 -1.37 118.70 120.54 3fg4 s GLU 419 Ca 0.18 0.30 -0.30 0.00 -0.41 0.00 0.00 54.97 54.74 3fg4 s GLU 419 Cb -0.22 -2.29 -0.12 0.00 -1.78 0.00 0.00 34.13 29.72 3fg4 s GLU 419 CO -0.02 -0.35 1.58 0.00 -0.49 0.00 0.00 175.26 175.98 3fg4 n ALA 420 N -2.42 2.45 -0.68 5.21 0.00 -1.26 -1.82 120.51 121.99 3fg4 n ALA 420 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3fg4 n ALA 420 Cb 0.55 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3fg4 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg4 n GLY 421 N 2.18 1.35 3.82 0.00 0.00 -0.66 -4.86 105.19 107.03 3fg4 n GLY 421 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.18 6.42 -0.27 1.61 1.04 -0.76 -4.80 113.70 113.75 3fg4 s SER 422 Ca 0.00 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.16 3fg4 s SER 422 Cb 0.00 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.67 3fg4 s SER 422 CO 0.00 -0.73 -0.00 -0.54 0.98 0.00 0.00 173.24 172.95 3fg4 s LYS 423 N -3.76 1.46 -0.02 4.02 1.02 -1.26 -0.97 119.74 120.22 3fg4 s LYS 423 Ca 0.62 -1.24 0.08 0.00 0.02 0.00 0.00 55.97 55.45 3fg4 s LYS 423 Cb -0.12 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3fg4 s LYS 423 CO 0.27 -0.75 -0.25 -1.21 -0.92 0.00 0.00 175.35 172.50 3fg4 s GLU 424 N 1.30 2.00 -0.05 1.68 0.41 -0.26 -4.93 118.70 118.85 3fg4 s GLU 424 Ca 0.01 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.72 3fg4 s GLU 424 Cb -0.19 -1.93 -0.03 0.00 -1.78 0.00 0.00 34.13 30.21 3fg4 s GLU 424 CO -0.10 0.53 -0.12 -0.65 -0.49 0.00 0.00 175.26 174.43 3fg4 s GLN 425 N -0.57 2.58 0.04 1.61 -0.21 -1.26 -0.54 119.66 121.31 3fg4 s GLN 425 Ca 0.09 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.85 3fg4 s GLN 425 Cb -0.09 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 3fg4 s GLN 425 CO -0.01 0.64 -0.09 0.71 -2.12 0.00 0.00 175.29 174.42 3fg4 s TYR 426 N -0.76 0.79 -0.27 0.91 1.51 0.85 -5.01 117.35 115.36 3fg4 s TYR 426 Ca 0.12 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3fg4 s TYR 426 Cb -0.11 -0.47 0.08 0.00 -0.11 0.00 0.00 41.96 41.35 3fg4 s TYR 426 CO 0.01 -0.04 0.01 0.99 -1.11 0.00 0.00 175.55 175.41 3fg4 s THR 427 N -1.18 1.46 0.25 -0.71 2.01 -1.26 -0.88 115.64 115.33 3fg4 s THR 427 Ca -0.06 -1.47 0.10 0.00 0.31 0.00 0.00 61.69 60.57 3fg4 s THR 427 Cb -0.09 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3fg4 s THR 427 CO 0.01 -0.37 -0.09 0.68 -0.69 0.00 0.00 174.62 174.16 3fg4 s VAL 428 N 1.37 3.06 -0.06 3.82 -7.23 -0.93 -5.00 120.40 115.44 3fg4 s VAL 428 Ca 0.02 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 3fg4 s VAL 428 Cb -0.18 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.16 3fg4 s VAL 428 CO -0.12 -0.33 -0.14 -1.58 -0.31 0.00 0.00 175.10 172.62 3fg4 s GLN 429 N -3.45 1.75 0.34 4.82 0.74 -1.26 -1.33 119.66 121.26 3fg4 s GLN 429 Ca 0.30 -0.47 -0.14 0.00 0.05 0.00 0.00 55.36 55.10 3fg4 s GLN 429 Cb -0.06 -1.45 0.05 0.00 1.10 0.00 0.00 33.01 32.65 3fg4 s GLN 429 CO 0.17 0.08 0.73 0.41 -0.55 0.00 0.00 175.29 176.13 3fg4 n GLY 430 N 3.64 1.05 3.57 2.59 0.00 -0.88 -5.02 105.19 110.15 3fg4 n GLY 430 Ca -0.21 -1.22 -0.56 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.49 1.19 -2.14 1.61 -0.00 -1.26 -0.42 117.46 115.95 3fg4 n PHE 431 Ca -0.07 0.84 -0.40 0.00 -0.00 0.00 0.00 57.45 57.82 3fg4 n PHE 431 Cb 0.53 -2.23 -0.03 0.00 -0.00 0.00 0.00 39.48 37.75 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 0.64 5.67 0.00 -2.13 2.15 -1.26 -4.53 116.67 117.21 3fg4 s ASP 432 Ca 0.89 0.54 0.18 0.00 0.43 0.00 0.00 52.55 54.59 3fg4 s ASP 432 Cb -1.13 -2.53 0.85 0.00 -0.30 0.00 0.00 42.92 39.80 3fg4 s ASP 432 CO 0.55 -2.03 1.58 1.33 -0.17 0.00 0.00 175.17 176.43 3fg4 n VAL 433 N 7.15 0.11 -3.29 1.11 0.24 -1.26 -4.72 118.33 117.67 3fg4 n VAL 433 Ca 0.18 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3fg4 n VAL 433 Cb 0.50 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.92 3.20 3.70 7.63 0.00 -1.26 -0.29 105.19 119.08 3fg4 n GLY 434 Ca 0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 6.82 0.08 1.61 2.15 -1.26 -4.72 116.67 117.35 3fg4 s ASP 435 Ca 0.00 2.23 -0.25 0.00 0.43 0.00 0.00 52.55 54.96 3fg4 s ASP 435 Cb 0.00 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.99 3fg4 s ASP 435 CO 0.00 -0.70 0.78 -0.63 -0.17 0.00 0.00 175.17 174.45 3fg4 s ILE 436 N 1.88 4.63 -0.07 4.11 1.01 -1.26 -0.52 121.20 130.99 3fg4 s ILE 436 Ca 0.65 1.68 0.04 0.00 0.00 0.00 0.00 60.65 63.02 3fg4 s ILE 436 Cb -0.34 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 3fg4 s ILE 436 CO 0.29 0.40 -0.01 0.00 0.00 0.00 0.00 174.94 175.61 3fg4 n GLN 437 N 2.54 1.97 -3.76 2.79 6.02 0.28 -4.91 117.38 122.31 3fg4 n GLN 437 Ca -0.03 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.91 3fg4 n GLN 437 Cb 0.50 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.57 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 -4.83 -0.29 0.12 1.08 0.05 -0.81 -4.20 118.68 109.79 3fg4 s LEU 438 Ca -0.06 -0.46 0.02 0.00 0.05 0.00 0.00 54.13 53.68 3fg4 s LEU 438 Cb 0.02 2.58 -0.04 0.00 -2.05 0.00 0.00 46.19 46.70 3fg4 s LEU 438 CO 0.24 -1.18 -0.05 0.27 -0.55 0.00 0.00 176.35 175.07 3fg4 s ILE 439 N -3.75 0.70 -0.06 1.48 -4.36 -0.74 -1.30 121.20 113.17 3fg4 s ILE 439 Ca 0.10 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 3fg4 s ILE 439 Cb -0.04 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.90 3fg4 s ILE 439 CO 0.03 -0.79 -0.12 -1.61 0.24 0.00 0.00 174.94 172.69 3fg4 s GLU 440 N -3.85 1.67 -0.10 0.37 2.02 -0.16 -1.10 118.70 117.56 3fg4 s GLU 440 Ca 0.15 -0.41 -0.13 0.00 0.02 0.00 0.00 54.97 54.60 3fg4 s GLU 440 Cb 0.05 -1.39 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 3fg4 s GLU 440 CO -0.03 0.03 0.32 -0.51 0.02 0.00 0.00 175.26 175.09 3fg4 s LEU 441 N 0.66 4.35 -0.08 1.80 1.43 0.71 -0.91 118.68 126.63 3fg4 s LEU 441 Ca -0.14 0.68 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3fg4 s LEU 441 Cb -0.16 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 3fg4 s LEU 441 CO 0.04 0.22 -0.24 -2.28 0.23 0.00 0.00 176.35 174.31 3fg4 s HIS 442 N -0.29 2.52 -0.12 0.29 2.46 0.21 -1.49 115.29 118.88 3fg4 s HIS 442 Ca 0.19 -0.90 -0.02 0.00 0.47 0.00 0.00 55.06 54.81 3fg4 s HIS 442 Cb -0.14 -1.67 -0.03 0.00 -0.13 0.00 0.00 32.58 30.61 3fg4 s HIS 442 CO 0.08 -0.33 -0.04 0.45 -2.47 0.00 0.00 174.74 172.43 3fg4 s SER 443 N 0.12 4.82 0.00 9.88 0.15 0.20 -0.75 113.70 128.13 3fg4 s SER 443 Ca -0.12 -0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.67 3fg4 s SER 443 Cb -0.16 -1.54 1.13 0.00 -1.71 0.00 0.00 66.02 63.74 3fg4 s SER 443 CO 0.07 0.26 1.61 -0.90 1.20 0.00 0.00 173.24 175.48 3fg4 n ASP 444 N 2.89 0.00 0.00 5.45 5.75 -0.80 -4.69 116.55 125.16 3fg4 n ASP 444 Ca -0.18 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 3fg4 n ASP 444 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.54 0.89 0.00 6.12 0.00 -1.26 -4.89 105.19 106.59 3fg4 n GLY 445 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fg4 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 446 N -2.04 -0.41 0.08 -0.02 0.00 -1.26 -4.69 105.19 96.84 3fg4 n GLY 446 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.31 0.82 0.36 -0.02 0.00 -1.26 -4.92 105.19 99.86 3fg4 n GLY 447 Ca 0.00 -1.96 0.19 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.37 0.93 0.00 1.61 5.03 -2.02 -2.77 116.97 119.38 3fg4 h TYR 448 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fg4 h TYR 448 Cb 0.02 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.04 3fg4 h TYR 448 CO 0.00 0.07 -0.51 0.91 -1.32 0.00 0.00 178.16 177.31 3fg4 n TRP 449 N -4.81 0.01 -1.98 -3.82 7.02 -1.26 -4.91 117.44 107.68 3fg4 n TRP 449 Ca 0.26 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.32 3fg4 n TRP 449 Cb 0.77 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 29.38 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 -3.03 6.65 -0.07 -0.99 0.01 -1.05 -4.94 113.70 110.29 3fg4 s SER 450 Ca 0.11 2.28 -0.25 0.00 1.31 0.00 0.00 55.95 59.40 3fg4 s SER 450 Cb 0.17 -2.54 -0.21 0.00 0.21 0.00 0.00 66.02 63.66 3fg4 s SER 450 CO 0.70 -0.92 0.99 1.23 0.41 0.00 0.00 173.24 175.64 3fg4 h GLY 451 N 10.07 -0.05 -6.03 3.44 0.00 -1.91 -3.43 103.07 105.16 3fg4 h GLY 451 Ca -0.40 0.02 -0.56 0.00 0.00 0.00 0.00 47.33 46.39 3fg4 h GLY 451 CO 0.95 -0.02 -1.10 1.34 0.00 0.00 0.00 176.54 177.71 3fg4 n ASP 452 N -4.79 0.14 0.25 0.19 2.03 -1.26 -5.00 116.55 108.11 3fg4 n ASP 452 Ca -0.09 -2.67 0.17 0.00 0.52 0.00 0.00 54.79 52.72 3fg4 n ASP 452 Cb 0.32 -0.63 0.86 0.00 -0.72 0.00 0.00 41.12 40.95 3fg4 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg4 h PRO 453 N 4.12 0.00 -6.88 -0.67 0.13 -1.84 -3.43 132.00 123.43 3fg4 h PRO 453 Ca 0.09 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.66 3fg4 h PRO 453 Cb 0.88 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.13 3fg4 h PRO 453 CO 0.45 0.00 0.56 -0.25 -0.23 0.00 0.00 178.00 178.54 3fg4 n ASP 454 N -2.72 2.81 -3.78 1.44 10.43 -1.26 -4.69 116.55 118.78 3fg4 n ASP 454 Ca -0.01 1.11 -0.25 0.00 2.57 0.00 0.00 54.79 58.21 3fg4 n ASP 454 Cb 0.11 -1.53 -0.17 0.00 1.84 0.00 0.00 41.12 41.36 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 -1.19 0.94 -0.41 1.24 -0.00 -0.93 -4.56 118.94 114.02 3fg4 s TRP 455 Ca 0.61 -0.51 -0.18 0.00 -0.00 0.00 0.00 56.10 56.02 3fg4 s TRP 455 Cb -0.49 -0.95 0.02 0.00 -0.00 0.00 0.00 33.47 32.04 3fg4 s TRP 455 CO 0.58 -0.46 0.49 0.12 -0.00 0.00 0.00 176.95 177.68 3fg4 s PHE 456 N 1.89 3.15 -0.23 5.86 5.36 0.17 0.55 117.98 134.73 3fg4 s PHE 456 Ca 0.03 -0.22 -0.09 0.00 -0.96 0.00 0.00 56.93 55.69 3fg4 s PHE 456 Cb -0.14 -2.99 -0.04 0.00 -0.34 0.00 0.00 43.02 39.51 3fg4 s PHE 456 CO -0.07 -0.71 0.12 0.08 -1.46 0.00 0.00 175.22 173.19 3fg4 s VAL 457 N 2.32 5.07 -0.02 3.12 1.01 -1.16 -0.56 120.40 130.18 3fg4 s VAL 457 Ca 0.15 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 3fg4 s VAL 457 Cb -0.16 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 3fg4 s VAL 457 CO 0.15 0.37 1.05 0.78 0.00 0.00 0.00 175.10 177.45 3fg4 h ASN 458 N 7.43 -0.31 -4.29 3.32 -0.26 -0.90 0.15 115.58 120.72 3fg4 h ASN 458 Ca -0.38 -0.22 0.18 0.00 -0.56 0.00 0.00 56.30 55.32 3fg4 h ASN 458 Cb 1.17 0.08 -0.19 0.00 -1.06 0.00 0.00 38.32 38.32 3fg4 h ASN 458 CO 0.65 0.13 0.68 0.00 -1.06 0.00 0.00 177.43 177.83 3fg4 s ARG 459 N -4.10 0.50 -0.02 0.81 1.70 -1.06 -0.99 118.95 115.79 3fg4 s ARG 459 Ca -0.13 -0.14 0.08 0.00 -0.47 0.00 0.00 55.73 55.07 3fg4 s ARG 459 Cb 0.01 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 3fg4 s ARG 459 CO 0.49 -0.21 -0.25 0.08 -1.08 0.00 0.00 175.30 174.33 3fg4 s VAL 460 N -2.40 1.98 -0.10 4.99 1.01 -0.81 -0.53 120.40 124.54 3fg4 s VAL 460 Ca 0.06 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3fg4 s VAL 460 Cb -0.01 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3fg4 s VAL 460 CO -0.05 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 3fg4 s ILE 461 N -0.59 1.74 0.01 2.22 1.01 0.39 -0.78 121.20 125.20 3fg4 s ILE 461 Ca 0.10 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.99 3fg4 s ILE 461 Cb -0.10 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3fg4 s ILE 461 CO -0.01 0.49 -0.19 -0.63 0.00 0.00 0.00 174.94 174.60 3fg4 s ILE 462 N 0.58 1.48 -0.11 2.92 1.01 -0.04 -0.41 121.20 126.62 3fg4 s ILE 462 Ca -0.15 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3fg4 s ILE 462 Cb -0.17 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.06 3fg4 s ILE 462 CO 0.05 0.28 -0.13 -0.63 0.00 0.00 0.00 174.94 174.51 3fg4 s ILE 463 N -0.61 1.37 0.01 2.92 1.01 -0.45 -0.66 121.20 124.79 3fg4 s ILE 463 Ca 0.06 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 3fg4 s ILE 463 Cb -0.08 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 3fg4 s ILE 463 CO 0.00 0.42 0.39 -0.55 0.00 0.00 0.00 174.94 175.20 3fg4 s SER 464 N 1.09 6.75 0.19 3.58 0.15 -1.26 -0.33 113.70 123.87 3fg4 s SER 464 Ca -0.05 0.90 0.21 0.00 0.70 0.00 0.00 55.95 57.71 3fg4 s SER 464 Cb -0.14 -2.23 0.87 0.00 -1.71 0.00 0.00 66.02 62.81 3fg4 s SER 464 CO -0.03 0.30 1.63 -1.54 1.20 0.00 0.00 173.24 174.81 3fg4 n SER 465 N 1.65 0.47 -0.27 5.45 3.41 -0.53 -2.25 113.62 121.55 3fg4 n SER 465 Ca -0.13 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 3fg4 n SER 465 Cb 0.52 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.03 0.00 -4.35 6.66 -2.24 -1.26 -4.96 114.28 106.10 3fg4 n THR 466 Ca 0.02 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 3fg4 n THR 466 Cb 0.20 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.41 1.29 0.00 -0.78 -1.52 -0.95 -5.04 119.66 110.26 3fg4 s GLN 467 Ca 0.13 -1.33 0.27 0.00 -1.95 0.00 0.00 55.36 52.47 3fg4 s GLN 467 Cb 0.15 -1.57 0.89 0.00 -0.22 0.00 0.00 33.01 32.26 3fg4 s GLN 467 CO 0.59 0.35 1.66 -0.25 -0.25 0.00 0.00 175.29 177.39 3fg4 n ASP 468 N 0.69 0.54 -4.80 5.90 8.00 -1.26 -4.52 116.55 121.10 3fg4 n ASP 468 Ca -0.16 -0.39 -0.35 0.00 0.71 0.00 0.00 54.79 54.60 3fg4 n ASP 468 Cb 0.55 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 3fg4 n ASP 468 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fg4 s ARG 469 N -2.72 4.24 -0.27 -1.24 0.52 -1.26 -5.04 118.95 113.18 3fg4 s ARG 469 Ca 0.20 1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 56.52 3fg4 s ARG 469 Cb 0.19 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 3fg4 s ARG 469 CO 0.56 -0.03 0.33 0.08 0.02 0.00 0.00 175.30 176.27 3fg4 s VAL 470 N -1.95 5.21 -0.22 3.52 1.01 -1.26 -4.47 120.40 122.23 3fg4 s VAL 470 Ca 0.59 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 3fg4 s VAL 470 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3fg4 s VAL 470 CO 0.18 0.19 0.15 -0.31 0.00 0.00 0.00 175.10 175.31 3fg4 s TYR 471 N 1.94 3.35 -0.15 5.22 1.51 0.17 -4.97 117.35 124.42 3fg4 s TYR 471 Ca 0.13 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.47 3fg4 s TYR 471 Cb -0.16 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 3fg4 s TYR 471 CO 0.10 0.16 -0.19 0.45 -1.11 0.00 0.00 175.55 174.96 3fg4 s SER 472 N 0.77 3.33 -0.50 2.29 0.15 -1.26 -0.86 113.70 117.62 3fg4 s SER 472 Ca 0.08 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 3fg4 s SER 472 Cb -0.12 -1.50 0.13 0.00 -1.71 0.00 0.00 66.02 62.82 3fg4 s SER 472 CO 0.02 0.06 0.28 -0.36 1.20 0.00 0.00 173.24 174.44 3fg4 s PHE 473 N 0.92 3.46 0.48 3.44 0.40 0.04 -1.42 117.98 125.30 3fg4 s PHE 473 Ca -0.04 -2.79 -0.21 0.00 -0.60 0.00 0.00 56.93 53.29 3fg4 s PHE 473 Cb -0.15 -3.08 -0.08 0.00 0.51 0.00 0.00 43.02 40.23 3fg4 s PHE 473 CO -0.03 -0.87 1.10 -1.25 0.70 0.00 0.00 175.22 174.87 3fg4 s PRO 474 N 0.34 3.72 0.00 0.24 0.04 -1.26 -1.92 135.00 136.16 3fg4 s PRO 474 Ca 0.14 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3fg4 s PRO 474 Cb -0.22 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3fg4 s PRO 474 CO -0.04 -0.53 0.00 0.00 0.04 0.00 0.00 177.00 176.47 3fg4 n PHE 476 N -0.78 -2.32 -3.76 0.00 3.01 0.53 -4.91 117.46 109.21 3fg4 n PHE 476 Ca 0.00 0.83 -0.10 0.00 1.01 0.00 0.00 57.45 59.19 3fg4 n PHE 476 Cb 0.00 -4.35 -0.06 0.00 -0.01 0.00 0.00 39.48 35.06 3fg4 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg4 s ARG 477 N -5.99 0.91 0.15 -1.08 0.52 -1.23 -5.01 118.95 107.22 3fg4 s ARG 477 Ca 0.44 -0.78 -0.31 0.00 -0.52 0.00 0.00 55.73 54.55 3fg4 s ARG 477 Cb -0.19 0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.57 3fg4 s ARG 477 CO 0.60 -0.32 1.50 -1.58 0.02 0.00 0.00 175.30 175.52 3fg4 s TRP 478 N -3.56 3.13 -0.35 -0.53 0.52 -1.26 -3.01 118.94 113.88 3fg4 s TRP 478 Ca 0.02 0.76 -0.16 0.00 0.02 0.00 0.00 56.10 56.74 3fg4 s TRP 478 Cb 0.03 -3.83 -0.01 0.00 -1.15 0.00 0.00 33.47 28.51 3fg4 s TRP 478 CO -0.10 -3.01 0.43 0.08 0.02 0.00 0.00 176.95 174.37 3fg4 s VAL 479 N 1.09 5.10 -0.01 4.03 1.01 0.19 -4.93 120.40 126.89 3fg4 s VAL 479 Ca 0.68 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 3fg4 s VAL 479 Cb -0.41 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 3fg4 s VAL 479 CO 0.31 -0.15 -0.01 -0.38 0.00 0.00 0.00 175.10 174.87 3fg4 n ILE 480 N 5.32 0.09 0.04 2.22 2.08 -1.26 -2.20 119.36 125.65 3fg4 n ILE 480 Ca -0.07 0.48 -0.00 0.00 0.56 0.00 0.00 62.75 63.72 3fg4 n ILE 480 Cb 0.49 -1.55 -0.00 0.00 -0.75 0.00 0.00 39.64 37.83 3fg4 n ILE 480 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3fg4 n LYS 481 N -2.49 0.00 -4.79 0.38 4.81 -1.26 -4.62 118.16 110.20 3fg4 n LYS 481 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 3fg4 n LYS 481 Cb 0.02 -0.50 -0.15 0.00 0.02 0.00 0.00 35.03 34.42 3fg4 n LYS 481 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3fg4 s ASP 482 N -5.89 2.63 -0.05 3.14 1.11 -1.26 -0.63 116.67 115.72 3fg4 s ASP 482 Ca -0.00 -0.51 -0.02 0.00 0.18 0.00 0.00 52.55 52.20 3fg4 s ASP 482 Cb 0.00 -0.24 0.04 0.00 1.07 0.00 0.00 42.92 43.79 3fg4 s ASP 482 CO 0.00 0.20 0.09 -0.32 1.18 0.00 0.00 175.17 176.33 3fg4 s MET 483 N -1.04 -0.02 -0.21 8.23 1.75 -0.55 -4.98 119.30 122.48 3fg4 s MET 483 Ca 0.09 0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 54.79 3fg4 s MET 483 Cb -0.09 -0.35 -0.05 0.00 2.84 0.00 0.00 34.83 37.19 3fg4 s MET 483 CO 0.01 -0.27 0.19 0.08 -0.65 0.00 0.00 175.02 174.38 3fg4 s VAL 484 N 1.82 5.36 0.02 10.11 1.01 -1.26 -0.20 120.40 137.25 3fg4 s VAL 484 Ca -0.01 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.34 3fg4 s VAL 484 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3fg4 s VAL 484 CO -0.04 0.38 -0.25 -0.76 0.00 0.00 0.00 175.10 174.44 3fg4 s LEU 485 N 0.69 2.12 0.02 3.92 1.43 -0.26 -5.01 118.68 121.59 3fg4 s LEU 485 Ca 0.10 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3fg4 s LEU 485 Cb -0.12 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3fg4 s LEU 485 CO 0.02 0.26 -0.06 -0.36 0.23 0.00 0.00 176.35 176.44 3fg4 s PHE 486 N -0.71 2.91 0.51 0.29 0.40 -1.26 -1.79 117.98 118.32 3fg4 s PHE 486 Ca 0.10 -0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 3fg4 s PHE 486 Cb -0.10 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 3fg4 s PHE 486 CO 0.01 0.40 0.92 -1.25 0.70 0.00 0.00 175.22 176.00 3fg4 s PRO 487 N -1.58 3.78 4.25 0.24 0.04 -1.26 -4.37 135.00 136.11 3fg4 s PRO 487 Ca 0.18 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3fg4 s PRO 487 Cb -0.11 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3fg4 s PRO 487 CO 0.09 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.27 3fg4 n GLY 488 N -1.86 1.05 3.84 0.56 0.00 -0.51 -4.95 105.19 103.32 3fg4 n GLY 488 Ca 0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 3.48 0.65 1.61 8.01 -1.26 -4.74 118.70 126.46 3fg4 s GLU 489 Ca 0.00 0.95 -0.18 0.00 0.01 0.00 0.00 54.97 55.76 3fg4 s GLU 489 Cb 0.00 -2.06 -0.01 0.00 -4.31 0.00 0.00 34.13 27.74 3fg4 s GLU 489 CO 0.00 -0.66 1.21 0.00 0.01 0.00 0.00 175.26 175.82 3fg4 n ALA 490 N -2.36 0.82 -2.70 5.21 0.00 -1.26 -5.02 120.51 115.21 3fg4 n ALA 490 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 3fg4 n ALA 490 Cb 0.54 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.47 0.16 0.52 0.00 -4.23 0.30 -4.84 115.64 106.07 3fg4 s THR 491 Ca 0.81 -1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 59.95 3fg4 s THR 491 Cb -0.38 -0.66 -0.08 0.00 1.34 0.00 0.00 72.50 72.72 3fg4 s THR 491 CO 0.42 -0.65 1.00 -0.76 -0.54 0.00 0.00 174.62 174.09 3fg4 s LEU 492 N -1.92 3.66 0.57 4.79 1.43 -1.26 -4.01 118.68 121.93 3fg4 s LEU 492 Ca -0.09 1.65 0.26 0.00 -1.03 0.00 0.00 54.13 54.93 3fg4 s LEU 492 Cb -0.04 -4.52 1.66 0.00 0.03 0.00 0.00 46.19 43.32 3fg4 s LEU 492 CO -0.04 -0.67 2.21 1.55 0.23 0.00 0.00 176.35 179.63 3fg4 h PRO 493 N 1.01 0.00 0.00 1.29 0.13 -1.97 -0.37 132.00 132.08 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fg4 h PRO 493 CO 0.61 0.02 -0.39 1.97 -0.23 0.00 0.00 178.00 179.97 3fg4 n PHE 494 N -3.98 0.39 -1.72 1.56 1.16 -1.26 -4.89 117.46 108.73 3fg4 n PHE 494 Ca -0.03 0.11 -0.43 0.00 -1.87 0.00 0.00 57.45 55.24 3fg4 n PHE 494 Cb 0.10 -0.58 -0.02 0.00 -1.61 0.00 0.00 39.48 37.38 3fg4 n PHE 494 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3fg4 n ASN 495 N -1.88 3.33 -4.71 5.98 5.03 -0.15 -4.85 115.26 118.01 3fg4 n ASN 495 Ca 0.05 1.16 -0.42 0.00 0.87 0.00 0.00 54.58 56.24 3fg4 n ASN 495 Cb 0.40 -1.53 -0.03 0.00 -1.02 0.00 0.00 39.78 37.60 3fg4 n ASN 495 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3fg4 s GLU 496 N -0.81 4.30 0.06 3.52 2.12 -1.26 -4.91 118.70 121.72 3fg4 s GLU 496 Ca 0.63 2.07 -0.07 0.00 0.36 0.00 0.00 54.97 57.96 3fg4 s GLU 496 Cb -0.55 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 3fg4 s GLU 496 CO 0.52 -0.50 0.15 0.14 -0.54 0.00 0.00 175.26 175.03 3fg4 s VAL 497 N 1.56 0.14 0.55 3.70 -7.23 -1.26 -5.14 120.40 112.72 3fg4 s VAL 497 Ca 0.65 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 3fg4 s VAL 497 Cb -0.36 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 3fg4 s VAL 497 CO 0.29 -0.65 0.74 -2.65 -0.31 0.00 0.00 175.10 172.53 3fg4 n PRO 498 N 0.31 0.76 -0.34 4.82 -0.02 -1.26 -4.81 135.00 134.46 3fg4 n PRO 498 Ca -0.17 0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3fg4 n PRO 498 Cb 0.61 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.34 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 0.54 1.28 0.00 3.55 0.00 -2.00 -2.12 119.26 120.50 3fg4 h ALA 499 Ca -0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3fg4 h ALA 499 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fg4 h ALA 499 CO 0.50 0.38 -0.24 0.97 0.00 0.00 0.00 179.25 180.85 3fg4 h ILE 500 N 1.09 0.63 -0.25 0.00 2.10 -1.99 -1.61 117.51 117.47 3fg4 h ILE 500 Ca 0.40 -1.12 -0.06 0.00 1.08 0.00 0.00 64.86 65.17 3fg4 h ILE 500 Cb 0.14 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.60 3fg4 h ILE 500 CO -0.17 0.24 -0.06 0.58 -1.08 0.00 0.00 178.15 177.66 3fg4 h VAL 501 N 0.00 1.28 -0.75 2.19 2.07 -1.73 -1.78 116.25 117.53 3fg4 h VAL 501 Ca -0.00 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3fg4 h VAL 501 Cb 0.72 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3fg4 h VAL 501 CO 0.03 0.34 0.35 0.28 0.02 0.00 0.00 177.57 178.59 3fg4 h SER 502 N 0.23 0.99 0.06 0.57 0.02 -1.38 0.29 113.55 114.33 3fg4 h SER 502 Ca 0.06 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3fg4 h SER 502 Cb 0.53 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3fg4 h SER 502 CO 0.03 0.85 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.21 3fg4 h GLU 503 N 1.06 -0.08 -0.82 3.45 5.08 -1.29 -0.78 114.58 121.19 3fg4 h GLU 503 Ca 0.26 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 3fg4 h GLU 503 Cb 0.13 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3fg4 h GLU 503 CO -0.03 0.10 0.53 1.96 -1.00 0.00 0.00 179.01 180.57 3fg4 h GLN 504 N -0.25 0.71 -0.19 2.33 1.08 -1.21 0.19 115.11 117.76 3fg4 h GLN 504 Ca -0.01 -0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 56.95 3fg4 h GLN 504 Cb 0.22 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3fg4 h GLN 504 CO 0.01 0.47 -0.68 -0.09 -0.95 0.00 0.00 178.83 177.59 3fg4 h ARG 505 N 0.73 0.76 -0.41 1.46 2.43 -0.49 -1.18 114.38 117.69 3fg4 h ARG 505 Ca 0.38 -0.56 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3fg4 h ARG 505 Cb 0.50 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3fg4 h ARG 505 CO -0.15 1.18 0.15 1.96 -1.51 0.00 0.00 179.97 181.59 3fg4 h GLN 506 N 0.55 0.63 -0.65 0.20 1.08 -0.58 -2.44 115.11 113.90 3fg4 h GLN 506 Ca -0.02 -0.13 0.09 0.00 -1.45 0.00 0.00 58.65 57.14 3fg4 h GLN 506 Cb 1.29 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 28.55 3fg4 h GLN 506 CO 0.14 0.61 0.28 0.87 -0.95 0.00 0.00 178.83 179.78 3fg4 h LYS 507 N 0.52 0.48 -0.72 1.46 6.56 -0.29 -1.08 116.57 123.51 3fg4 h LYS 507 Ca 0.13 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 3fg4 h LYS 507 Cb 0.23 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 3fg4 h LYS 507 CO -0.01 0.32 0.32 1.49 -2.06 0.00 0.00 179.45 179.52 3fg4 h GLU 508 N 0.50 1.03 -0.18 3.15 4.81 -0.98 -1.57 114.58 121.34 3fg4 h GLU 508 Ca 0.32 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 3fg4 h GLU 508 Cb 0.36 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3fg4 h GLU 508 CO -0.28 0.81 -0.60 -0.07 -0.73 0.00 0.00 179.01 178.14 3fg4 h LEU 509 N 1.02 0.83 -0.35 1.64 3.38 -0.75 -0.75 115.31 120.33 3fg4 h LEU 509 Ca 0.25 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.68 3fg4 h LEU 509 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3fg4 h LEU 509 CO -0.03 1.29 0.02 -0.33 0.09 0.00 0.00 178.44 179.48 3fg4 h GLU 510 N 0.42 0.12 -0.59 1.13 5.08 -1.12 -2.56 114.58 117.06 3fg4 h GLU 510 Ca -0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3fg4 h GLU 510 Cb 1.23 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 3fg4 h GLU 510 CO 0.13 0.08 0.22 1.96 -1.00 0.00 0.00 179.01 180.40 3fg4 h GLN 511 N 0.12 0.40 -0.75 2.33 4.20 -0.99 -2.61 115.11 117.80 3fg4 h GLN 511 Ca 0.17 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3fg4 h GLN 511 Cb 0.22 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3fg4 h GLN 511 CO -0.27 0.26 0.50 0.00 -0.67 0.00 0.00 178.83 178.65 3fg4 h ARG 512 N 0.41 0.98 0.00 1.46 2.47 -0.83 -0.75 114.38 118.12 3fg4 h ARG 512 Ca 0.30 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.89 3fg4 h ARG 512 Cb 0.35 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3fg4 h ARG 512 CO -0.29 0.65 -0.31 0.87 0.56 0.00 0.00 179.97 181.44 3fg4 h LYS 513 N 1.01 0.00 -0.07 0.04 1.57 -1.22 0.13 116.57 118.02 3fg4 h LYS 513 Ca 0.28 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.85 3fg4 h LYS 513 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3fg4 h LYS 513 CO -0.06 0.31 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.25 3fg4 h LEU 514 N 0.00 0.65 0.20 2.94 3.38 -0.98 -3.38 115.31 118.12 3fg4 h LEU 514 Ca -0.00 -0.46 -0.31 0.00 0.09 0.00 0.00 57.88 57.20 3fg4 h LEU 514 Cb 1.04 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.62 3fg4 h LEU 514 CO 0.04 1.23 -1.40 0.74 0.09 0.00 0.00 178.44 179.14 3fg4 h THR 515 N 0.35 1.35 -3.64 0.22 2.02 -0.61 -3.42 112.91 109.19 3fg4 h THR 515 Ca -0.06 -2.85 -0.68 0.00 0.77 0.00 0.00 66.41 63.59 3fg4 h THR 515 Cb 1.43 2.98 -0.35 0.00 -1.74 0.00 0.00 68.15 70.47 3fg4 h THR 515 CO 0.15 0.85 -0.64 -0.31 0.37 0.00 0.00 175.52 175.94 3fg4 s TYR 516 N -2.62 3.48 0.17 3.16 1.51 0.40 -4.95 117.35 118.50 3fg4 s TYR 516 Ca -0.07 -2.30 0.11 0.00 -1.01 0.00 0.00 57.07 53.80 3fg4 s TYR 516 Cb 0.05 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 3fg4 s TYR 516 CO 0.91 -0.90 -0.24 -0.65 -1.11 0.00 0.00 175.55 173.56 3fg4 s GLN 517 N 1.15 1.44 0.54 -0.62 -0.21 -1.26 -4.59 119.66 116.11 3fg4 s GLN 517 Ca 0.03 -1.44 -0.17 0.00 0.02 0.00 0.00 55.36 53.80 3fg4 s GLN 517 Cb -0.21 -1.78 -0.06 0.00 1.00 0.00 0.00 33.01 31.96 3fg4 s GLN 517 CO -0.04 0.39 1.02 -1.58 -2.12 0.00 0.00 175.29 172.97 3fg4 s TRP 518 N -1.51 3.16 0.15 0.91 0.52 -1.26 -1.00 118.94 119.91 3fg4 s TRP 518 Ca 0.18 1.51 -0.17 0.00 0.02 0.00 0.00 56.10 57.63 3fg4 s TRP 518 Cb -0.08 -2.94 0.04 0.00 -1.15 0.00 0.00 33.47 29.34 3fg4 s TRP 518 CO 0.08 -0.77 0.46 0.34 0.02 0.00 0.00 176.95 177.08 3fg4 s ASP 519 N -2.73 -0.28 -0.03 2.95 2.15 0.36 -4.46 116.67 114.62 3fg4 s ASP 519 Ca 0.62 -0.33 -0.02 0.00 0.43 0.00 0.00 52.55 53.25 3fg4 s ASP 519 Cb -0.14 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 3fg4 s ASP 519 CO 0.31 -0.93 0.08 -0.31 -0.17 0.00 0.00 175.17 174.15 3fg4 s TYR 520 N -3.82 -0.08 0.22 -5.34 1.51 -1.26 -0.51 117.35 108.07 3fg4 s TYR 520 Ca 0.05 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.43 3fg4 s TYR 520 Cb 0.01 -0.03 0.16 0.00 -0.11 0.00 0.00 41.96 41.98 3fg4 s TYR 520 CO -0.09 -0.07 1.49 0.28 -1.11 0.00 0.00 175.55 176.05 3fg4 h VAL 521 N 5.40 1.52 -2.50 0.71 2.07 -1.87 -3.48 116.25 118.10 3fg4 h VAL 521 Ca -0.31 -2.52 0.19 0.00 0.82 0.00 0.00 66.70 64.88 3fg4 h VAL 521 Cb 1.18 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 3fg4 h VAL 521 CO 0.46 0.72 0.64 -1.54 0.02 0.00 0.00 177.57 177.88 3fg4 n SER 522 N -3.67 -1.66 0.18 0.57 3.41 -1.26 -5.01 113.62 106.18 3fg4 n SER 522 Ca -0.01 -1.81 0.14 0.00 -0.26 0.00 0.00 58.87 56.93 3fg4 n SER 522 Cb 0.72 2.68 0.52 0.00 -0.26 0.00 0.00 64.21 67.87 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 1.98 0.00 -0.35 4.04 3.32 -2.01 -3.22 116.42 120.19 3fg4 h ASP 523 Ca -0.26 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 3fg4 h ASP 523 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 3fg4 h ASP 523 CO 0.36 0.00 0.02 0.47 -1.72 0.00 0.00 179.24 178.37 3fg4 n ASP 524 N -2.57 3.59 -4.21 6.45 8.00 -1.26 -4.73 116.55 121.82 3fg4 n ASP 524 Ca 0.02 -3.26 -0.22 0.00 0.71 0.00 0.00 54.79 52.05 3fg4 n ASP 524 Cb 0.30 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.97 1.03 0.66 -1.24 -1.94 -1.22 -4.25 119.30 109.37 3fg4 s MET 525 Ca 0.44 -0.96 -0.17 0.00 -1.71 0.00 0.00 55.69 53.29 3fg4 s MET 525 Cb 0.37 -1.13 -0.00 0.00 2.01 0.00 0.00 34.83 36.08 3fg4 s MET 525 CO 0.07 0.27 1.26 -1.25 -0.01 0.00 0.00 175.02 175.36 3fg4 s PRO 526 N -1.53 2.48 0.55 2.03 0.04 -1.26 -4.80 135.00 132.51 3fg4 s PRO 526 Ca 0.03 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 3fg4 s PRO 526 Cb -0.09 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3fg4 s PRO 526 CO 0.02 -1.63 1.28 0.20 0.04 0.00 0.00 177.00 176.92 3fg4 s GLY 527 N -1.56 2.83 0.31 0.56 0.00 0.98 -4.72 107.32 105.72 3fg4 s GLY 527 Ca 0.80 1.18 0.03 0.00 0.00 0.00 0.00 44.72 46.73 3fg4 s GLY 527 CO 0.40 1.65 0.06 0.54 0.00 0.00 0.00 173.10 175.75 3fg4 s ASN 528 N -1.22 2.18 0.25 1.64 4.22 0.33 -3.56 114.94 118.79 3fg4 s ASN 528 Ca 0.73 -1.37 -0.30 0.00 -2.14 0.00 0.00 52.86 49.78 3fg4 s ASN 528 Cb -0.36 -0.05 -0.09 0.00 1.28 0.00 0.00 41.25 42.04 3fg4 s ASN 528 CO 0.41 -0.62 1.18 -0.51 -2.04 0.00 0.00 177.10 175.53 3fg4 s ILE 529 N -3.36 3.35 -0.17 0.54 2.07 -1.26 -0.49 121.20 121.87 3fg4 s ILE 529 Ca 0.36 1.26 -0.29 0.00 -1.41 0.00 0.00 60.65 60.57 3fg4 s ILE 529 Cb 0.08 -3.81 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 3fg4 s ILE 529 CO 0.15 0.26 1.29 -0.75 -1.91 0.00 0.00 174.94 173.98 3fg4 s LYS 530 N -1.02 4.19 -0.29 3.50 2.20 -0.17 -4.67 119.74 123.49 3fg4 s LYS 530 Ca 0.49 1.65 -0.19 0.00 -0.36 0.00 0.00 55.97 57.56 3fg4 s LYS 530 Cb -0.34 -3.79 0.14 0.00 -1.51 0.00 0.00 37.83 32.33 3fg4 s LYS 530 CO 0.42 -0.76 0.99 0.00 -0.36 0.00 0.00 175.35 175.63 3fg4 s ALA 531 N 3.63 -2.18 0.06 3.13 0.00 -1.26 -4.73 121.76 120.42 3fg4 s ALA 531 Ca 0.56 2.12 -0.28 0.00 0.00 0.00 0.00 51.96 54.35 3fg4 s ALA 531 Cb -0.22 -1.63 -0.17 0.00 0.00 0.00 0.00 23.12 21.10 3fg4 s ALA 531 CO 0.16 -0.31 1.58 0.87 0.00 0.00 0.00 175.76 178.06 3fg4 h LYS 532 N 5.54 -0.48 -4.72 0.00 1.57 -1.94 -3.47 116.57 113.07 3fg4 h LYS 532 Ca -0.28 0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.20 3fg4 h LYS 532 Cb 1.19 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 3fg4 h LYS 532 CO 0.17 -0.28 -0.57 0.95 -0.57 0.00 0.00 179.45 179.15 3fg4 s THR 533 N -5.79 0.05 0.22 -0.16 -4.23 -1.26 -4.87 115.64 99.60 3fg4 s THR 533 Ca -0.15 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 3fg4 s THR 533 Cb 0.04 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.58 3fg4 s THR 533 CO 0.62 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 175.63 3fg4 h HIS 534 N 2.43 0.05 0.00 3.99 2.76 -1.90 -1.29 115.15 121.18 3fg4 h HIS 534 Ca -0.32 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 3fg4 h HIS 534 Cb 1.24 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3fg4 h HIS 534 CO 0.84 -0.14 0.00 -0.25 -1.30 0.00 0.00 177.93 177.08 3fg4 n ASP 535 N -5.24 0.64 0.14 3.26 10.43 -1.26 -1.44 116.55 123.08 3fg4 n ASP 535 Ca 0.10 0.67 0.00 0.00 2.57 0.00 0.00 54.79 58.14 3fg4 n ASP 535 Cb 0.38 -0.80 0.29 0.00 1.84 0.00 0.00 41.12 42.82 3fg4 n ASP 535 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3fg4 h ASP 536 N 0.00 0.10 -4.03 -2.24 3.32 -1.64 -3.45 116.42 108.49 3fg4 h ASP 536 Ca 0.00 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.47 3fg4 h ASP 536 Cb 0.32 -0.03 0.12 0.00 0.22 0.00 0.00 39.33 39.96 3fg4 h ASP 536 CO 0.00 0.50 0.60 -0.76 -1.72 0.00 0.00 179.24 177.86 3fg4 s LEU 537 N -8.18 3.94 0.47 1.55 1.43 -0.52 -4.94 118.68 112.42 3fg4 s LEU 537 Ca -0.03 2.70 -0.25 0.00 -1.03 0.00 0.00 54.13 55.52 3fg4 s LEU 537 Cb 0.14 -4.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 3fg4 s LEU 537 CO 0.75 -1.36 1.41 -2.16 0.23 0.00 0.00 176.35 175.22 3fg4 s PRO 538 N -2.77 3.59 0.58 1.29 0.04 -1.26 -4.80 135.00 131.67 3fg4 s PRO 538 Ca 0.68 2.38 0.27 0.00 0.04 0.00 0.00 61.00 64.38 3fg4 s PRO 538 Cb -0.39 -2.58 1.57 0.00 0.04 0.00 0.00 34.50 33.14 3fg4 s PRO 538 CO 0.47 -0.88 2.07 -0.09 0.04 0.00 0.00 177.00 178.60 3fg4 h ARG 539 N 2.17 0.00 0.00 4.56 2.43 -1.93 -1.07 114.38 120.55 3fg4 h ARG 539 Ca -0.51 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3fg4 h ARG 539 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3fg4 h ARG 539 CO 0.60 0.00 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.55 3fg4 h ASP 540 N 0.00 0.00 -0.13 -3.80 3.32 -1.95 -2.59 116.42 111.27 3fg4 h ASP 540 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fg4 h ASP 540 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3fg4 h ASP 540 CO -0.00 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.92 3fg4 n VAL 541 N -3.74 0.46 -1.77 -1.35 0.24 -0.42 -4.98 118.33 106.77 3fg4 n VAL 541 Ca -0.02 -0.73 -0.32 0.00 -2.04 0.00 0.00 64.34 61.23 3fg4 n VAL 541 Cb 0.17 0.87 0.04 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.86 3.00 0.43 7.34 -0.21 -0.98 -3.34 119.66 125.05 3fg4 s GLN 542 Ca 0.14 1.16 -0.23 0.00 0.02 0.00 0.00 55.36 56.45 3fg4 s GLN 542 Cb 0.08 -1.99 -0.10 0.00 1.00 0.00 0.00 33.01 32.00 3fg4 s GLN 542 CO 0.12 -1.06 0.92 1.19 -2.12 0.00 0.00 175.29 174.33 3fg4 n PHE 543 N -2.58 0.83 -0.82 0.91 3.72 -1.26 -4.86 117.46 113.40 3fg4 n PHE 543 Ca 0.09 0.56 -0.32 0.00 -0.05 0.00 0.00 57.45 57.73 3fg4 n PHE 543 Cb 0.53 -2.18 0.16 0.00 -0.94 0.00 0.00 39.48 37.05 3fg4 n PHE 543 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3fg4 s THR 544 N -1.33 2.06 0.25 4.37 -4.23 -1.26 -4.73 115.64 110.78 3fg4 s THR 544 Ca 0.64 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 3fg4 s THR 544 Cb -0.56 -2.15 0.24 0.00 1.34 0.00 0.00 72.50 71.38 3fg4 s THR 544 CO 0.56 -0.02 1.87 0.44 -0.54 0.00 0.00 174.62 176.93 3fg4 h ASP 545 N -1.60 0.97 -0.92 3.99 5.19 -1.95 0.48 116.42 122.58 3fg4 h ASP 545 Ca -0.44 0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.13 3fg4 h ASP 545 Cb 1.28 -0.20 -0.09 0.00 0.18 0.00 0.00 39.33 40.49 3fg4 h ASP 545 CO 0.43 0.63 0.53 -0.33 -3.12 0.00 0.00 179.24 177.37 3fg4 h GLU 546 N 1.11 0.73 0.12 3.56 3.07 -1.91 0.14 114.58 121.40 3fg4 h GLU 546 Ca 0.40 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.94 3fg4 h GLU 546 Cb 0.13 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3fg4 h GLU 546 CO -0.16 0.48 -1.30 -0.22 -1.40 0.00 0.00 179.01 176.41 3fg4 h LYS 547 N 0.75 0.26 -0.61 2.33 3.11 -1.59 0.11 116.57 120.93 3fg4 h LYS 547 Ca 0.50 -0.45 0.06 0.00 -2.81 0.00 0.00 60.65 57.95 3fg4 h LYS 547 Cb 0.67 0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 32.01 3fg4 h LYS 547 CO -0.34 1.19 0.32 0.77 -2.81 0.00 0.00 179.45 178.58 3fg4 h SER 548 N 0.07 0.45 -0.33 4.20 0.02 -0.51 0.31 113.55 117.76 3fg4 h SER 548 Ca -0.15 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3fg4 h SER 548 Cb 1.98 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.46 3fg4 h SER 548 CO 0.19 0.30 -0.06 -0.09 -1.14 0.00 0.00 176.83 176.03 3fg4 h ARG 549 N 0.59 0.63 -0.89 3.45 2.43 -0.61 0.14 114.38 120.12 3fg4 h ARG 549 Ca 0.28 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3fg4 h ARG 549 Cb 0.19 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3fg4 h ARG 549 CO -0.19 0.79 0.51 1.03 -1.51 0.00 0.00 179.97 180.61 3fg4 h SER 550 N 0.42 1.09 -0.17 -3.80 0.87 -0.49 0.48 113.55 111.95 3fg4 h SER 550 Ca 0.09 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3fg4 h SER 550 Cb 0.55 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3fg4 h SER 550 CO 0.03 0.85 -0.33 0.22 -0.53 0.00 0.00 176.83 177.07 3fg4 h TYR 551 N 1.23 0.67 -0.23 2.24 3.20 -0.64 -2.53 116.97 120.91 3fg4 h TYR 551 Ca 0.32 -0.24 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 3fg4 h TYR 551 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3fg4 h TYR 551 CO 0.01 0.97 -0.47 1.96 -1.64 0.00 0.00 178.16 178.98 3fg4 h GLN 552 N 0.18 0.60 -0.10 1.82 1.08 -0.32 -2.40 115.11 115.97 3fg4 h GLN 552 Ca 0.01 -0.34 -0.09 0.00 -1.45 0.00 0.00 58.65 56.78 3fg4 h GLN 552 Cb 0.93 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3fg4 h GLN 552 CO 0.07 0.95 -0.33 0.93 -0.95 0.00 0.00 178.83 179.50 3fg4 h GLU 553 N 0.48 0.20 -0.13 1.46 4.39 -0.97 -1.79 114.58 118.22 3fg4 h GLU 553 Ca 0.03 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 3fg4 h GLU 553 Cb 1.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3fg4 h GLU 553 CO 0.09 0.51 -0.66 0.66 -1.16 0.00 0.00 179.01 178.45 3fg4 h SER 554 N 0.17 0.61 -0.88 1.42 4.64 -1.08 -0.63 113.55 117.79 3fg4 h SER 554 Ca 0.02 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3fg4 h SER 554 Cb 0.67 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3fg4 h SER 554 CO 0.05 1.10 0.50 0.03 -0.87 0.00 0.00 176.83 177.64 3fg4 h ARG 555 N 0.38 1.23 -0.08 4.77 2.47 -1.17 -0.10 114.38 121.88 3fg4 h ARG 555 Ca -0.02 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 3fg4 h ARG 555 Cb 1.23 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3fg4 h ARG 555 CO 0.12 0.89 -0.09 0.87 0.56 0.00 0.00 179.97 182.32 3fg4 h LYS 556 N 1.24 0.20 -0.38 0.04 1.57 -1.01 -2.70 116.57 115.53 3fg4 h LYS 556 Ca 0.31 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3fg4 h LYS 556 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3fg4 h LYS 556 CO -0.05 0.65 -0.03 0.00 -0.57 0.00 0.00 179.45 179.45 3fg4 h ALA 557 N 0.55 1.25 -0.47 3.86 0.00 -1.04 -0.85 119.26 122.56 3fg4 h ALA 557 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3fg4 h ALA 557 Cb 0.62 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3fg4 h ALA 557 CO 0.02 0.50 0.26 0.00 0.00 0.00 0.00 179.25 180.03 3fg4 h ALA 558 N 1.40 0.60 -0.46 0.00 0.00 -0.98 0.17 119.26 119.98 3fg4 h ALA 558 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3fg4 h ALA 558 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fg4 h ALA 558 CO 0.02 -0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 178.98 3fg4 h LEU 559 N 0.52 0.88 0.20 0.00 3.38 -0.98 0.19 115.31 119.50 3fg4 h LEU 559 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fg4 h LEU 559 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3fg4 h LEU 559 CO -0.12 1.03 -0.10 0.58 0.09 0.00 0.00 178.44 179.92 3fg4 h VAL 560 N 0.78 0.89 -0.91 1.22 2.07 -1.02 -0.81 116.25 118.46 3fg4 h VAL 560 Ca 0.12 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3fg4 h VAL 560 Cb 0.67 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3fg4 h VAL 560 CO 0.05 0.12 0.60 0.78 0.02 0.00 0.00 177.57 179.14 3fg4 h ASN 561 N -0.53 1.01 -0.48 0.57 2.35 -0.61 0.54 115.58 118.43 3fg4 h ASN 561 Ca -0.03 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3fg4 h ASN 561 Cb 0.40 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3fg4 h ASN 561 CO 0.05 0.71 0.27 -0.07 -1.65 0.00 0.00 177.43 176.74 3fg4 h LEU 562 N 1.19 0.43 -0.48 1.61 3.38 -0.94 0.18 115.31 120.69 3fg4 h LEU 562 Ca 0.35 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 3fg4 h LEU 562 Cb -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3fg4 h LEU 562 CO -0.10 0.31 -0.12 1.23 0.09 0.00 0.00 178.44 179.85 3fg4 h GLY 563 N 0.55 1.01 0.67 0.83 0.00 -0.37 0.36 103.07 106.12 3fg4 h GLY 563 Ca 0.20 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 3fg4 h GLY 563 CO -0.10 0.76 -0.05 -2.22 0.00 0.00 0.00 176.54 174.93 3fg4 h ILE 564 N 0.78 1.33 -0.81 2.60 2.04 -0.83 -1.97 117.51 120.66 3fg4 h ILE 564 Ca 0.12 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 65.00 3fg4 h ILE 564 Cb 0.67 1.87 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 3fg4 h ILE 564 CO 0.05 0.31 0.44 1.23 0.00 0.00 0.00 178.15 180.18 3fg4 h GLY 565 N -0.19 1.26 1.18 5.37 0.00 -0.54 0.18 103.07 110.35 3fg4 h GLY 565 Ca 0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3fg4 h GLY 565 CO 0.01 0.08 -0.39 0.23 0.00 0.00 0.00 176.54 176.47 3fg4 h SER 566 N 0.72 0.95 -0.83 0.19 0.87 -0.21 -1.36 113.55 113.88 3fg4 h SER 566 Ca 0.40 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3fg4 h SER 566 Cb 0.43 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3fg4 h SER 566 CO -0.28 1.23 0.41 -0.07 -0.53 0.00 0.00 176.83 177.59 3fg4 h LEU 567 N 0.73 1.07 -0.24 2.23 3.38 -1.03 -1.40 115.31 120.05 3fg4 h LEU 567 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fg4 h LEU 567 Cb 0.98 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3fg4 h LEU 567 CO 0.09 0.90 0.01 0.15 0.09 0.00 0.00 178.44 179.68 3fg4 h PHE 568 N 1.17 0.45 -0.60 1.13 3.04 -0.54 -3.19 116.94 118.39 3fg4 h PHE 568 Ca 0.29 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.16 3fg4 h PHE 568 Cb 0.10 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.49 3fg4 h PHE 568 CO 0.01 0.57 0.00 0.25 -2.02 0.00 0.00 178.31 177.12 3fg4 n THR 569 N -4.66 0.80 -0.29 4.41 -2.24 -0.55 -4.67 114.28 107.08 3fg4 n THR 569 Ca -0.04 -0.85 0.11 0.00 -2.27 0.00 0.00 64.05 61.00 3fg4 n THR 569 Cb 0.23 0.54 0.26 0.00 -2.10 0.00 0.00 70.33 69.27 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 3.96 0.35 -0.43 -0.78 -1.53 -1.24 -2.14 114.93 113.13 3fg4 h MET 570 Ca 0.00 -0.02 -0.25 0.00 -3.44 0.00 0.00 59.70 55.99 3fg4 h MET 570 Cb 0.90 -0.08 -0.15 0.00 -0.55 0.00 0.00 31.60 31.72 3fg4 h MET 570 CO 0.00 0.23 -0.09 1.19 0.14 0.00 0.00 176.91 178.39 3fg4 n PHE 571 N -5.08 1.38 -3.49 1.39 3.01 -1.26 -4.98 117.46 108.42 3fg4 n PHE 571 Ca 0.19 -1.75 -0.38 0.00 1.01 0.00 0.00 57.45 56.53 3fg4 n PHE 571 Cb 0.59 -0.54 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 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 -3.32 3.95 -0.20 -1.08 2.02 -0.81 -5.07 118.70 114.20 3fg4 s GLU 572 Ca 0.47 0.41 -0.13 0.00 0.02 0.00 0.00 54.97 55.73 3fg4 s GLU 572 Cb 0.42 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 3fg4 s GLU 572 CO -0.00 0.65 0.28 0.54 0.02 0.00 0.00 175.26 176.76 3fg4 s ASN 573 N -0.96 6.33 -0.19 -0.19 4.22 -1.26 -5.07 114.94 117.82 3fg4 s ASN 573 Ca 0.24 0.38 -0.24 0.00 -2.14 0.00 0.00 52.86 51.10 3fg4 s ASN 573 Cb -0.17 -2.17 -0.01 0.00 1.28 0.00 0.00 41.25 40.18 3fg4 s ASN 573 CO 0.13 0.03 0.80 0.26 -2.04 0.00 0.00 177.10 176.28 3fg4 s TRP 574 N 0.94 3.39 0.00 1.54 0.52 -1.26 -4.89 118.94 119.18 3fg4 s TRP 574 Ca 0.14 1.18 0.00 0.00 0.02 0.00 0.00 56.10 57.44 3fg4 s TRP 574 Cb -0.14 -2.99 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 3fg4 s TRP 574 CO 0.05 -0.26 0.36 -0.40 0.02 0.00 0.00 176.95 176.72 3fg4 n ASP 575 N 5.35 0.71 -4.17 2.95 5.75 -1.26 -5.04 116.55 120.84 3fg4 n ASP 575 Ca 0.04 -0.97 -0.11 0.00 -0.01 0.00 0.00 54.79 53.73 3fg4 n ASP 575 Cb 0.49 0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3fg4 n ASP 575 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fg4 s SER 576 N -0.03 0.18 0.33 -1.12 1.04 -1.26 -4.97 113.70 107.87 3fg4 s SER 576 Ca 0.00 -1.30 0.06 0.00 0.48 0.00 0.00 55.95 55.18 3fg4 s SER 576 Cb 0.00 0.36 0.58 0.00 0.10 0.00 0.00 66.02 67.06 3fg4 s SER 576 CO 0.00 -0.82 1.82 1.88 0.98 0.00 0.00 173.24 177.10 3fg4 h TYR 577 N 2.68 0.43 0.00 5.02 0.99 -1.97 -3.13 116.97 120.99 3fg4 h TYR 577 Ca -0.35 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.31 3fg4 h TYR 577 Cb 1.23 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.85 3fg4 h TYR 577 CO 0.38 0.55 0.00 -0.25 -0.00 0.00 0.00 178.16 178.83 3fg4 n ASP 578 N -4.20 0.00 0.24 3.88 8.00 -1.26 -2.32 116.55 120.90 3fg4 n ASP 578 Ca -0.00 0.19 0.17 0.00 0.71 0.00 0.00 54.79 55.85 3fg4 n ASP 578 Cb 0.33 -0.38 0.82 0.00 -0.02 0.00 0.00 41.12 41.87 3fg4 n ASP 578 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fg4 h ASP 579 N 0.00 0.00 0.89 -2.24 3.45 -1.96 -2.97 116.42 113.60 3fg4 h ASP 579 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fg4 h ASP 579 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3fg4 h ASP 579 CO 0.00 0.00 -0.35 -1.22 -1.57 0.00 0.00 179.24 176.10 3fg4 n TYR 580 N -2.72 0.35 0.26 4.55 4.02 -0.98 -3.58 117.16 119.05 3fg4 n TYR 580 Ca -0.01 0.10 0.11 0.00 -0.01 0.00 0.00 57.90 58.09 3fg4 n TYR 580 Cb 0.14 -0.56 0.68 0.00 -0.02 0.00 0.00 39.34 39.58 3fg4 n TYR 580 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3fg4 h HIS 581 N 0.00 0.00 0.00 -0.72 3.86 -1.74 -2.75 115.15 113.80 3fg4 h HIS 581 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3fg4 h HIS 581 Cb 0.62 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 3fg4 h HIS 581 CO 0.00 0.13 -0.10 0.97 0.86 0.00 0.00 177.93 179.79 3fg4 h ILE 582 N 0.00 0.26 0.00 2.45 2.10 -1.79 -3.03 117.51 117.50 3fg4 h ILE 582 Ca -0.00 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.22 3fg4 h ILE 582 Cb 0.30 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3fg4 h ILE 582 CO 0.02 0.09 0.00 -0.07 -1.08 0.00 0.00 178.15 177.11 3fg4 h LEU 583 N 0.00 0.00 -0.64 2.19 3.38 -1.73 -2.90 115.31 115.61 3fg4 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg4 h LEU 583 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fg4 h LEU 583 CO 0.01 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.18 3fg4 n TYR 584 N -2.63 0.00 -0.20 1.13 0.18 -1.15 -4.72 117.16 109.77 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 0.31 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.29 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 1.16 0.87 -0.85 -3.48 2.43 -1.58 -2.20 114.38 110.73 3fg4 h ARG 585 Ca 0.00 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3fg4 h ARG 585 Cb 0.43 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3fg4 h ARG 585 CO 0.00 0.77 0.11 0.27 -1.51 0.00 0.00 179.97 179.61 3fg4 n ASN 586 N -4.46 3.44 -4.56 -3.80 6.94 -1.26 -4.91 115.26 106.65 3fg4 n ASN 586 Ca 0.03 -2.59 -0.34 0.00 -0.02 0.00 0.00 54.58 51.66 3fg4 n ASN 586 Cb 0.19 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.87 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 -1.85 2.89 -0.78 -2.53 0.52 -0.83 -4.92 118.94 111.44 3fg4 s TRP 587 Ca 0.29 -0.01 -0.26 0.00 0.02 0.00 0.00 56.10 56.13 3fg4 s TRP 587 Cb 0.23 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.88 3fg4 s TRP 587 CO 0.07 0.30 1.37 0.42 0.02 0.00 0.00 176.95 179.14 3fg4 s ILE 588 N -0.79 3.72 -0.25 2.03 -1.09 -1.26 -4.74 121.20 118.82 3fg4 s ILE 588 Ca 0.12 0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.77 3fg4 s ILE 588 Cb -0.11 -4.85 -0.07 0.00 -1.58 0.00 0.00 42.46 35.86 3fg4 s ILE 588 CO 0.01 -1.78 0.24 0.18 -1.23 0.00 0.00 174.94 172.36 3fg4 n LEU 589 N 9.66 0.25 -0.04 2.97 4.77 -1.26 -4.99 117.00 128.36 3fg4 n LEU 589 Ca 0.11 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3fg4 n LEU 589 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3fg4 n LEU 589 CO 0.70 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3fg4 n GLY 590 N 1.25 1.22 0.00 -0.72 0.00 -1.26 -4.99 105.19 100.70 3fg4 n GLY 590 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.87 3.29 3.48 -0.02 0.00 -1.26 -5.03 105.19 104.77 3fg4 n GLY 591 Ca 0.00 -1.59 -0.52 0.00 0.00 0.00 0.00 46.02 43.91 3fg4 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg4 n THR 592 N 0.08 1.09 -1.61 2.61 -1.04 -1.26 -4.87 114.28 109.27 3fg4 n THR 592 Ca 0.00 -0.27 -0.50 0.00 -2.04 0.00 0.00 64.05 61.24 3fg4 n THR 592 Cb 0.00 -0.22 -0.05 0.00 -1.82 0.00 0.00 70.33 68.24 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 1.32 1.42 0.00 -2.82 -0.02 -1.26 -4.84 135.00 128.80 3fg4 n PRO 593 Ca 0.18 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3fg4 n PRO 593 Cb 0.19 -2.15 0.66 0.00 -0.02 0.00 0.00 33.50 32.19 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 2.57 0.00 -0.21 2.55 2.04 -1.26 -1.99 115.26 118.96 3fg4 n ASN 594 Ca 0.17 -0.61 0.07 0.00 -0.44 0.00 0.00 54.58 53.77 3fg4 n ASN 594 Cb 0.23 -0.04 -0.04 0.00 -2.53 0.00 0.00 39.78 37.40 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 -1.04 1.88 -0.31 -3.83 2.81 -1.26 -4.69 117.12 110.67 3fg4 n MET 595 Ca 0.16 -0.46 0.13 0.00 -1.81 0.00 0.00 57.70 55.72 3fg4 n MET 595 Cb 0.09 -1.23 0.31 0.00 -0.71 0.00 0.00 33.22 31.68 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 2.46 1.46 -0.02 3.04 0.00 -1.71 -0.36 119.26 124.13 3fg4 h ALA 596 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fg4 h ALA 596 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fg4 h ALA 596 CO 0.00 -0.33 -0.05 -0.40 0.00 0.00 0.00 179.25 178.47 3fg4 n ASP 597 N -5.03 2.18 0.00 0.00 3.85 -1.26 -4.42 116.55 111.87 3fg4 n ASP 597 Ca 0.22 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 3fg4 n ASP 597 Cb 0.66 0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.47 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 0.64 0.17 0.20 0.11 1.85 -0.61 -4.90 116.66 114.13 3fg4 n ARG 598 Ca 0.16 -0.44 0.14 0.00 -1.00 0.00 0.00 57.85 56.71 3fg4 n ARG 598 Cb 0.47 -0.55 0.76 0.00 -1.05 0.00 0.00 32.46 32.10 3fg4 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg4 h TRP 599 N 0.00 0.00 0.00 2.89 5.08 -1.32 -1.44 115.95 121.16 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 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 3fg4 h TRP 599 CO 0.00 0.00 -0.82 1.12 -1.28 0.00 0.00 178.44 177.46 3fg4 h HIS 600 N 0.00 0.00 -3.71 0.12 2.07 -1.90 -3.41 115.15 108.32 3fg4 h HIS 600 Ca 0.07 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.09 3fg4 h HIS 600 Cb 0.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 3fg4 h HIS 600 CO 0.00 0.00 0.40 -1.21 -3.07 0.00 0.00 177.93 174.05 3fg4 s GLU 601 N -3.31 4.74 0.15 5.12 2.02 -0.54 -4.95 118.70 121.93 3fg4 s GLU 601 Ca 0.02 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 56.50 3fg4 s GLU 601 Cb 0.10 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 3fg4 s GLU 601 CO 0.76 0.33 1.52 -0.44 0.02 0.00 0.00 175.26 177.45 3fg4 h ASP 602 N 4.44 1.02 -0.75 -0.19 3.32 -1.89 -0.54 116.42 121.82 3fg4 h ASP 602 Ca -0.45 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 56.31 3fg4 h ASP 602 Cb 1.21 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 3fg4 h ASP 602 CO 0.69 1.22 0.32 -0.09 -1.72 0.00 0.00 179.24 179.66 3fg4 h ARG 603 N 0.82 0.48 0.00 3.56 2.43 -1.93 0.25 114.38 120.00 3fg4 h ARG 603 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3fg4 h ARG 603 Cb 0.86 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3fg4 h ARG 603 CO 0.08 0.32 -0.23 -1.49 -1.51 0.00 0.00 179.97 177.13 3fg4 h TRP 604 N 0.50 0.00 -0.48 2.20 4.06 -1.69 -0.94 115.95 119.60 3fg4 h TRP 604 Ca 0.40 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.22 3fg4 h TRP 604 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 3fg4 h TRP 604 CO -0.14 0.00 -0.20 0.35 -3.56 0.00 0.00 178.44 174.89 3fg4 h PHE 605 N 0.00 1.10 -0.06 0.49 3.57 -0.17 -3.29 116.94 118.58 3fg4 h PHE 605 Ca 0.00 -0.25 -0.24 0.00 3.53 0.00 0.00 57.97 61.01 3fg4 h PHE 605 Cb 1.00 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.49 3fg4 h PHE 605 CO 0.00 1.06 -0.92 0.78 -2.23 0.00 0.00 178.31 177.01 3fg4 h GLY 606 N 0.90 0.74 0.06 2.40 0.00 -0.81 -3.30 103.07 103.06 3fg4 h GLY 606 Ca 0.11 -1.18 0.24 0.00 0.00 0.00 0.00 47.33 46.50 3fg4 h GLY 606 CO 0.06 1.05 0.65 -1.82 0.00 0.00 0.00 176.54 176.48 3fg4 h TYR 607 N 0.41 0.55 -0.00 5.60 3.20 -1.24 -0.81 116.97 124.68 3fg4 h TYR 607 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3fg4 h TYR 607 Cb 1.55 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.66 3fg4 h TYR 607 CO 0.09 0.10 -0.13 1.04 -1.64 0.00 0.00 178.16 177.61 3fg4 n GLN 608 N -4.54 0.27 0.02 1.82 6.02 -1.24 -1.02 117.38 118.71 3fg4 n GLN 608 Ca 0.22 -0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 3fg4 n GLN 608 Cb 0.82 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 31.06 3fg4 n GLN 608 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fg4 n PHE 609 N -1.30 0.14 -0.08 1.08 3.01 -0.31 -1.87 117.46 118.12 3fg4 n PHE 609 Ca 0.10 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.48 3fg4 n PHE 609 Cb 0.31 -0.57 -0.07 0.00 -0.01 0.00 0.00 39.48 39.13 3fg4 n PHE 609 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3fg4 n LEU 610 N -1.62 2.72 -0.06 4.37 4.77 -0.74 -4.39 117.00 122.06 3fg4 n LEU 610 Ca 0.05 -0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3fg4 n LEU 610 Cb 0.28 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3fg4 n LEU 610 CO 0.22 0.72 0.43 0.59 -1.33 0.00 0.00 177.39 178.02 3fg4 n ASN 611 N -3.11 1.43 0.00 -1.43 3.02 -0.19 -4.39 115.26 110.60 3fg4 n ASN 611 Ca -0.30 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 3fg4 n ASN 611 Cb 0.80 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 3fg4 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg4 n GLY 612 N -0.52 2.66 0.22 7.41 0.00 -0.78 -4.92 105.19 109.27 3fg4 n GLY 612 Ca 0.03 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.69 1.00 -2.18 4.61 0.00 -1.82 -3.37 119.26 116.82 3fg4 h ALA 613 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3fg4 h ALA 613 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 3fg4 h ALA 613 CO 0.00 0.00 -0.79 -1.71 0.00 0.00 0.00 179.25 176.75 3fg4 n ASN 614 N -3.04 3.21 -1.53 0.00 4.05 -1.26 -4.34 115.26 112.34 3fg4 n ASN 614 Ca 0.03 -3.41 -0.09 0.00 0.45 0.00 0.00 54.58 51.56 3fg4 n ASN 614 Cb 0.48 -0.60 0.05 0.00 1.23 0.00 0.00 39.78 40.94 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 0.20 1.47 0.00 1.20 -0.04 -1.26 -4.01 135.00 132.56 3fg4 n PRO 615 Ca 0.29 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 3fg4 n PRO 615 Cb 0.46 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.19 0.00 -0.09 0.52 0.24 -1.26 -4.71 118.33 113.22 3fg4 n VAL 616 Ca 0.20 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 3fg4 n VAL 616 Cb 0.78 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 34.09 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 -0.34 1.18 -1.68 1.34 3.06 -1.26 -4.98 119.36 116.67 3fg4 n ILE 617 Ca 0.00 -0.62 -0.45 0.00 -2.50 0.00 0.00 62.75 59.18 3fg4 n ILE 617 Cb 0.01 -0.83 -0.04 0.00 0.54 0.00 0.00 39.64 39.33 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 -2.81 3.34 -4.22 9.51 7.94 -1.26 -4.79 117.00 124.70 3fg4 n LEU 618 Ca -0.31 1.08 -0.23 0.00 -1.11 0.00 0.00 56.01 55.43 3fg4 n LEU 618 Cb 0.99 -1.47 -0.13 0.00 0.53 0.00 0.00 43.42 43.34 3fg4 n LEU 618 CO 0.30 -0.16 -0.50 -0.89 -1.11 0.00 0.00 177.39 175.03 3fg4 s THR 619 N 0.97 1.49 0.21 1.96 2.01 0.04 -4.87 115.64 117.45 3fg4 s THR 619 Ca 0.78 -1.23 -0.32 0.00 0.31 0.00 0.00 61.69 61.22 3fg4 s THR 619 Cb -0.63 -1.33 -0.13 0.00 0.01 0.00 0.00 72.50 70.42 3fg4 s THR 619 CO 0.36 0.06 1.58 -1.14 -0.69 0.00 0.00 174.62 174.79 3fg4 n ARG 620 N 1.64 2.35 -2.89 4.92 0.63 0.13 -0.07 116.66 123.37 3fg4 n ARG 620 Ca -0.18 0.84 -0.43 0.00 -0.92 0.00 0.00 57.85 57.16 3fg4 n ARG 620 Cb 0.54 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 30.79 3fg4 n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fg4 n ASP 622 N 6.70 0.99 -3.64 0.00 8.00 -1.26 -4.76 116.55 122.58 3fg4 n ASP 622 Ca 0.05 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 3fg4 n ASP 622 Cb 0.48 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.54 -1.91 -0.17 2.24 0.00 -1.26 -4.89 121.76 113.24 3fg4 s ALA 623 Ca -0.16 2.27 -0.41 0.00 0.00 0.00 0.00 51.96 53.66 3fg4 s ALA 623 Cb 0.07 -1.40 -0.18 0.00 0.00 0.00 0.00 23.12 21.61 3fg4 s ALA 623 CO 0.77 -0.36 1.45 1.28 0.00 0.00 0.00 175.76 178.90 3fg4 n LEU 624 N 3.69 1.37 -4.60 0.00 7.99 -1.26 -4.85 117.00 119.34 3fg4 n LEU 624 Ca -0.18 1.13 -0.41 0.00 -0.01 0.00 0.00 56.01 56.54 3fg4 n LEU 624 Cb 0.58 -1.04 0.01 0.00 -0.11 0.00 0.00 43.42 42.85 3fg4 n LEU 624 CO 0.00 -1.03 0.55 -2.65 -1.51 0.00 0.00 177.39 172.76 3fg4 n PRO 625 N 3.41 1.29 -0.26 3.23 -0.02 -1.26 -4.81 135.00 136.58 3fg4 n PRO 625 Ca 0.24 0.46 0.22 0.00 -2.02 0.00 0.00 63.50 62.41 3fg4 n PRO 625 Cb 0.09 -2.00 0.55 0.00 -0.02 0.00 0.00 33.50 32.12 3fg4 n PRO 625 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg4 h SER 626 N 1.50 0.35 -0.09 2.55 4.64 -2.04 -1.06 113.55 119.41 3fg4 h SER 626 Ca -0.44 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3fg4 h SER 626 Cb 1.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3fg4 h SER 626 CO 0.57 0.11 0.00 -0.46 -0.87 0.00 0.00 176.83 176.18 3fg4 n ASN 627 N -4.50 1.54 -3.80 4.97 0.23 -1.26 -4.32 115.26 108.12 3fg4 n ASN 627 Ca 0.21 -1.59 -0.28 0.00 -0.53 0.00 0.00 54.58 52.39 3fg4 n ASN 627 Cb 0.81 -0.05 -0.12 0.00 -2.08 0.00 0.00 39.78 38.34 3fg4 n ASN 627 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3fg4 s PHE 628 N -1.90 3.00 -0.87 -2.53 5.36 -0.40 -3.91 117.98 116.74 3fg4 s PHE 628 Ca 0.35 -3.09 -0.08 0.00 -0.96 0.00 0.00 56.93 53.15 3fg4 s PHE 628 Cb 0.19 -2.35 -0.17 0.00 -0.34 0.00 0.00 43.02 40.35 3fg4 s PHE 628 CO 0.30 -0.62 3.27 -0.35 -1.46 0.00 0.00 175.22 176.35 3fg4 n PRO 629 N 2.31 2.91 -2.45 10.12 -0.04 -1.26 -4.53 135.00 142.05 3fg4 n PRO 629 Ca 0.20 -1.64 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 3fg4 n PRO 629 Cb 0.37 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 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 1.64 4.06 0.27 0.52 1.01 -1.26 -5.03 120.40 121.61 3fg4 s VAL 630 Ca 0.68 1.52 0.08 0.00 0.00 0.00 0.00 61.98 64.26 3fg4 s VAL 630 Cb 0.24 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3fg4 s VAL 630 CO -0.03 0.14 0.13 0.42 0.00 0.00 0.00 175.10 175.76 3fg4 s THR 631 N 0.85 3.87 0.38 3.92 -4.23 -1.26 -5.00 115.64 114.18 3fg4 s THR 631 Ca 0.57 -1.60 0.38 0.00 -1.18 0.00 0.00 61.69 59.86 3fg4 s THR 631 Cb -0.29 -3.15 0.40 0.00 1.34 0.00 0.00 72.50 70.80 3fg4 s THR 631 CO 0.30 -0.32 2.16 -1.13 -0.54 0.00 0.00 174.62 175.09 3fg4 h ASN 632 N 1.60 0.00 0.31 3.99 -1.24 -1.98 -2.67 115.58 115.59 3fg4 h ASN 632 Ca -0.46 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 3fg4 h ASN 632 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 3fg4 h ASN 632 CO 0.61 0.02 -0.15 -0.33 -1.29 0.00 0.00 177.43 176.28 3fg4 h GLU 633 N 0.00 -0.40 -1.00 6.67 3.07 -2.01 -2.34 114.58 118.57 3fg4 h GLU 633 Ca -0.00 0.03 0.30 0.00 -0.50 0.00 0.00 59.36 59.19 3fg4 h GLU 633 Cb 0.27 0.09 -0.19 0.00 -0.84 0.00 0.00 28.75 28.09 3fg4 h GLU 633 CO 0.00 -0.09 0.12 0.72 -1.40 0.00 0.00 179.01 178.36 3fg4 n HIS 634 N -5.14 0.73 0.28 4.33 8.25 -1.01 -3.47 115.22 119.20 3fg4 n HIS 634 Ca -0.10 1.20 0.03 0.00 -0.26 0.00 0.00 57.72 58.60 3fg4 n HIS 634 Cb 0.26 -1.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.05 3fg4 n HIS 634 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3fg4 n VAL 635 N -5.46 0.00 -0.12 1.59 0.31 -1.17 -4.77 118.33 108.71 3fg4 n VAL 635 Ca 0.26 -0.42 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 3fg4 n VAL 635 Cb 0.86 1.06 0.20 0.00 -0.91 0.00 0.00 33.84 35.05 3fg4 n VAL 635 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3fg4 h ASN 636 N 0.54 0.75 0.54 4.52 -1.24 -1.45 -1.17 115.58 118.08 3fg4 h ASN 636 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.88 3fg4 h ASN 636 Cb 0.20 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3fg4 h ASN 636 CO 0.00 0.74 0.00 0.00 -1.29 0.00 0.00 177.43 176.88 3fg4 h ALA 637 N 1.36 1.00 0.00 1.57 0.00 -1.86 -1.50 119.26 119.83 3fg4 h ALA 637 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fg4 h ALA 637 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fg4 h ALA 637 CO -0.00 0.00 -0.09 0.77 0.00 0.00 0.00 179.25 179.93 3fg4 h SER 638 N 0.00 0.00 -3.78 0.00 0.02 -1.57 -3.47 113.55 104.75 3fg4 h SER 638 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3fg4 h SER 638 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3fg4 h SER 638 CO 0.00 0.07 0.14 -0.76 -1.14 0.00 0.00 176.83 175.14 3fg4 s LEU 639 N -6.22 3.92 0.00 5.07 1.43 -0.57 -5.02 118.68 117.30 3fg4 s LEU 639 Ca 0.06 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 3fg4 s LEU 639 Cb 0.05 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 42.17 3fg4 s LEU 639 CO 0.68 -0.33 0.72 -0.90 0.23 0.00 0.00 176.35 176.76 3fg4 n ASP 640 N -0.87 -0.05 -0.05 2.29 5.75 -1.26 -4.92 116.55 117.43 3fg4 n ASP 640 Ca 0.04 -1.43 -0.07 0.00 -0.01 0.00 0.00 54.79 53.32 3fg4 n ASP 640 Cb 0.54 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.72 0.00 0.11 1.74 -1.26 -4.75 116.66 113.25 3fg4 n ARG 641 Ca -0.03 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3fg4 n ARG 641 Cb 0.61 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 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 2.90 1.03 3.98 -0.13 0.00 -1.26 -5.13 105.19 106.57 3fg4 n GLY 642 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3fg4 n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg4 s LYS 643 N 0.00 1.45 0.51 1.61 -2.85 -1.26 -5.14 119.74 114.06 3fg4 s LYS 643 Ca 0.00 -0.98 0.03 0.00 -1.00 0.00 0.00 55.97 54.02 3fg4 s LYS 643 Cb 0.00 -2.23 0.03 0.00 -2.06 0.00 0.00 37.83 33.57 3fg4 s LYS 643 CO 0.00 -1.66 0.22 0.27 0.10 0.00 0.00 175.35 174.28 3fg4 n ASN 644 N -3.03 2.98 -0.07 0.03 6.94 -1.26 -4.83 115.26 116.02 3fg4 n ASN 644 Ca 0.15 -2.96 -0.07 0.00 -0.02 0.00 0.00 54.58 51.68 3fg4 n ASN 644 Cb 0.60 0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 38.14 3fg4 n ASN 644 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 3fg4 h LEU 645 N 0.00 -0.26 -1.46 -4.53 8.10 -1.95 0.27 115.31 115.48 3fg4 h LEU 645 Ca -0.37 0.08 0.20 0.00 0.11 0.00 0.00 57.88 57.91 3fg4 h LEU 645 Cb 1.22 0.17 -0.07 0.00 -0.44 0.00 0.00 40.66 41.55 3fg4 h LEU 645 CO 0.59 -0.09 0.60 -2.24 -4.11 0.00 0.00 178.44 173.19 3fg4 h ASP 646 N -0.00 0.45 0.17 0.17 2.03 -1.98 -1.28 116.42 115.97 3fg4 h ASP 646 Ca 0.13 0.05 -0.35 0.00 -0.73 0.00 0.00 57.03 56.13 3fg4 h ASP 646 Cb 0.20 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3fg4 h ASP 646 CO -0.28 0.18 -1.79 -0.33 -1.03 0.00 0.00 179.24 175.98 3fg4 h GLU 647 N 0.45 0.36 -0.79 4.15 5.08 -1.42 -3.23 114.58 119.18 3fg4 h GLU 647 Ca 0.48 -0.61 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3fg4 h GLU 647 Cb 1.13 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 3fg4 h GLU 647 CO -0.20 1.29 0.48 0.93 -1.00 0.00 0.00 179.01 180.52 3fg4 h GLU 648 N 0.07 0.86 -0.81 2.33 4.39 -0.13 0.30 114.58 121.60 3fg4 h GLU 648 Ca -0.36 -0.05 0.19 0.00 0.34 0.00 0.00 59.36 59.47 3fg4 h GLU 648 Cb 2.07 -0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 30.40 3fg4 h GLU 648 CO 0.15 0.57 0.24 0.82 -1.16 0.00 0.00 179.01 179.63 3fg4 h ILE 649 N 0.88 0.47 0.00 3.13 2.04 -1.37 -0.82 117.51 121.84 3fg4 h ILE 649 Ca 0.34 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 66.03 3fg4 h ILE 649 Cb 0.15 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3fg4 h ILE 649 CO -0.17 0.05 -0.32 0.11 0.00 0.00 0.00 178.15 177.83 3fg4 h LYS 650 N 0.30 0.00 -0.00 2.37 1.57 -0.98 -3.11 116.57 116.71 3fg4 h LYS 650 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3fg4 h LYS 650 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3fg4 h LYS 650 CO -0.54 0.32 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.38 3fg4 n ASP 651 N -3.24 0.04 -2.05 0.86 9.92 0.86 -4.97 116.55 117.96 3fg4 n ASP 651 Ca 0.02 0.30 -0.11 0.00 -0.53 0.00 0.00 54.79 54.47 3fg4 n ASP 651 Cb 0.60 -0.41 0.04 0.00 -0.64 0.00 0.00 41.12 40.72 3fg4 n ASP 651 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fg4 n GLY 652 N 1.45 0.19 0.12 0.44 0.00 -0.51 -4.96 105.19 101.92 3fg4 n GLY 652 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3fg4 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg4 n HIS 653 N -3.52 0.05 -4.39 1.61 8.25 -0.92 -4.64 115.22 111.65 3fg4 n HIS 653 Ca -0.02 -0.23 -0.29 0.00 -0.26 0.00 0.00 57.72 56.92 3fg4 n HIS 653 Cb 0.54 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.58 1.51 0.26 1.59 -1.09 -1.26 -0.37 121.20 121.26 3fg4 s ILE 654 Ca 0.04 -0.64 0.10 0.00 -2.23 0.00 0.00 60.65 57.92 3fg4 s ILE 654 Cb 0.02 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.47 3fg4 s ILE 654 CO 0.03 0.44 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.71 3fg4 s TYR 655 N 1.06 2.08 -0.01 3.97 1.51 0.41 0.26 117.35 126.63 3fg4 s TYR 655 Ca -0.05 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.47 3fg4 s TYR 655 Cb -0.15 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 3fg4 s TYR 655 CO -0.03 0.56 0.19 -1.50 -1.11 0.00 0.00 175.55 173.66 3fg4 s ILE 656 N -2.71 0.07 -0.04 2.71 2.07 0.90 -0.38 121.20 123.82 3fg4 s ILE 656 Ca 0.28 -0.57 0.05 0.00 -1.41 0.00 0.00 60.65 58.99 3fg4 s ILE 656 Cb -0.02 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 3fg4 s ILE 656 CO 0.12 -0.31 -0.19 0.68 -1.91 0.00 0.00 174.94 173.32 3fg4 s VAL 657 N -1.23 1.61 -0.19 4.00 -7.23 -0.74 -0.78 120.40 115.84 3fg4 s VAL 657 Ca -0.13 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3fg4 s VAL 657 Cb -0.06 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.57 3fg4 s VAL 657 CO 0.02 0.46 0.02 -0.62 -0.31 0.00 0.00 175.10 174.67 3fg4 s ASP 658 N -0.06 2.96 -0.27 4.85 2.15 -1.26 -2.24 116.67 122.81 3fg4 s ASP 658 Ca -0.03 -0.83 0.02 0.00 0.43 0.00 0.00 52.55 52.14 3fg4 s ASP 658 Cb -0.12 -0.65 0.36 0.00 -0.30 0.00 0.00 42.92 42.21 3fg4 s ASP 658 CO 0.02 -0.29 1.58 0.49 -0.17 0.00 0.00 175.17 176.80 3fg4 n PHE 659 N 5.01 1.72 -0.37 -5.34 3.01 0.05 -4.63 117.46 116.92 3fg4 n PHE 659 Ca -0.09 -1.37 0.28 0.00 1.01 0.00 0.00 57.45 57.29 3fg4 n PHE 659 Cb 0.47 -0.69 0.55 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.69 0.24 0.00 -1.08 2.10 -1.77 -0.70 116.57 116.05 3fg4 h LYS 660 Ca 0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 3fg4 h LYS 660 Cb 1.89 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.17 3fg4 h LYS 660 CO 0.65 0.16 0.00 -0.24 -2.00 0.00 0.00 179.45 178.02 3fg4 h VAL 661 N 0.25 0.00 0.00 0.07 3.04 -1.94 -1.14 116.25 116.53 3fg4 h VAL 661 Ca 0.73 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.37 3fg4 h VAL 661 Cb 1.97 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 3fg4 h VAL 661 CO -0.47 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.27 3fg4 n LEU 662 N -2.80 0.37 -4.67 3.16 4.77 -0.27 -4.83 117.00 112.74 3fg4 n LEU 662 Ca -0.02 0.55 -0.46 0.00 -0.03 0.00 0.00 56.01 56.05 3fg4 n LEU 662 Cb 0.08 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3fg4 n LEU 662 CO 0.17 -0.17 1.11 0.52 -1.33 0.00 0.00 177.39 177.70 3fg4 n VAL 663 N -1.86 0.33 -0.68 4.08 0.31 -0.44 -1.22 118.33 118.85 3fg4 n VAL 663 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3fg4 n VAL 663 Cb 0.34 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 2.92 0.77 3.69 2.92 0.00 0.19 -4.97 105.19 110.71 3fg4 n GLY 664 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3fg4 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 n ALA 665 N 0.05 2.01 -2.58 4.61 0.00 -0.36 -4.45 120.51 119.79 3fg4 n ALA 665 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3fg4 n ALA 665 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.91 3fg4 n ALA 665 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3fg4 s LYS 666 N 1.57 3.17 0.50 0.00 2.47 -1.26 -1.27 119.74 124.92 3fg4 s LYS 666 Ca 0.79 -0.66 -0.08 0.00 -1.56 0.00 0.00 55.97 54.47 3fg4 s LYS 666 Cb -0.58 -4.00 -0.04 0.00 -1.46 0.00 0.00 37.83 31.74 3fg4 s LYS 666 CO 0.37 -1.02 0.84 -1.12 0.16 0.00 0.00 175.35 174.58 3fg4 s SER 667 N 2.15 6.30 0.25 1.43 0.01 0.11 -3.90 113.70 120.05 3fg4 s SER 667 Ca 0.17 1.09 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 3fg4 s SER 667 Cb -0.17 -2.32 -0.14 0.00 0.21 0.00 0.00 66.02 63.61 3fg4 s SER 667 CO 0.15 -0.62 1.20 0.00 0.41 0.00 0.00 173.24 174.38 3fg4 n TYR 668 N -2.21 1.67 0.00 2.43 9.36 0.95 -2.91 117.16 126.46 3fg4 n TYR 668 Ca 0.02 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.84 3fg4 n TYR 668 Cb 0.55 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 3fg4 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg4 n GLY 669 N 1.61 3.06 0.00 2.98 0.00 -1.26 -1.15 105.19 110.43 3fg4 n GLY 669 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 1.28 3.68 -0.02 0.00 -1.15 -5.02 105.19 103.96 3fg4 n GLY 670 Ca 0.00 -0.09 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 2.27 -4.03 1.61 -0.02 -1.25 -4.76 135.00 128.82 3fg4 n PRO 671 Ca 0.00 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 3fg4 n PRO 671 Cb 0.00 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 30.73 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 3.28 5.02 -0.05 -1.45 1.01 -1.26 0.05 120.40 127.01 3fg4 s VAL 672 Ca 0.88 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 3fg4 s VAL 672 Cb -0.65 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3fg4 s VAL 672 CO 0.47 0.57 0.54 -0.22 0.00 0.00 0.00 175.10 176.46 3fg4 s LEU 673 N -0.60 4.37 0.56 3.92 2.96 -0.40 -4.80 118.68 124.69 3fg4 s LEU 673 Ca 0.12 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 55.09 3fg4 s LEU 673 Cb -0.12 -2.82 0.04 0.00 0.50 0.00 0.00 46.19 43.79 3fg4 s LEU 673 CO 0.02 0.08 0.33 -1.83 -1.32 0.00 0.00 176.35 173.64 3fg4 s GLU 674 N 0.05 2.23 0.34 1.98 -1.05 -0.23 0.55 118.70 122.57 3fg4 s GLU 674 Ca 0.29 -2.15 0.03 0.00 -0.15 0.00 0.00 54.97 53.00 3fg4 s GLU 674 Cb -0.17 -1.97 0.61 0.00 -0.44 0.00 0.00 34.13 32.16 3fg4 s GLU 674 CO 0.14 -0.63 1.91 -0.44 0.95 0.00 0.00 175.26 177.20 3fg4 h ASP 675 N 0.81 0.57 0.26 0.83 5.19 -1.98 -3.09 116.42 119.01 3fg4 h ASP 675 Ca -0.38 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3fg4 h ASP 675 Cb 1.31 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3fg4 h ASP 675 CO 0.60 0.56 -0.39 -0.38 -3.12 0.00 0.00 179.24 176.51 3fg4 n ILE 676 N -4.33 0.00 0.00 0.35 5.41 -1.26 -1.01 119.36 118.51 3fg4 n ILE 676 Ca 0.03 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3fg4 n ILE 676 Cb 0.19 0.49 0.00 0.00 -0.71 0.00 0.00 39.64 39.61 3fg4 n ILE 676 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fg4 n GLY 677 N 1.40 0.43 3.36 7.39 0.00 -1.17 -4.90 105.19 111.69 3fg4 n GLY 677 Ca 0.10 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 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 1.80 -1.42 1.61 1.51 -1.26 -1.07 117.35 118.52 3fg4 s TYR 678 Ca 0.00 -0.52 0.17 0.00 -1.01 0.00 0.00 57.07 55.71 3fg4 s TYR 678 Cb 0.00 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 3fg4 s TYR 678 CO 0.00 0.40 0.86 0.36 -1.11 0.00 0.00 175.55 176.06 3fg4 n LYS 679 N -0.28 1.59 0.00 -0.62 0.00 -1.26 -5.07 118.16 112.51 3fg4 n LYS 679 Ca -0.09 -0.68 0.00 0.00 -0.00 0.00 0.00 58.31 57.55 3fg4 n LYS 679 Cb 0.60 -1.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.32 3fg4 n LYS 679 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3fg4 n GLU 688 N -0.36 0.00 -2.95 -1.58 0.00 -1.26 -5.18 120.64 109.30 3fg4 n GLU 688 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.89 3fg4 n GLU 688 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.72 3fg4 n GLU 688 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fg4 s ALA 689 N -0.62 3.18 -0.70 -1.84 0.00 -1.26 -4.97 121.76 115.55 3fg4 s ALA 689 Ca 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 3fg4 s ALA 689 Cb 0.00 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3fg4 s ALA 689 CO 0.00 0.22 1.31 0.34 0.00 0.00 0.00 175.76 177.63 3fg4 s ASP 690 N -2.16 6.15 -0.06 0.00 3.68 -1.26 -4.96 116.67 118.07 3fg4 s ASP 690 Ca 0.57 -0.28 -0.01 0.00 2.13 0.00 0.00 52.55 54.96 3fg4 s ASP 690 Cb -0.10 -2.56 0.03 0.00 -1.45 0.00 0.00 42.92 38.84 3fg4 s ASP 690 CO 0.16 -1.81 -0.00 -0.63 0.13 0.00 0.00 175.17 173.01 3fg4 s ILE 691 N 5.83 0.36 0.29 4.11 1.09 -1.26 -4.13 121.20 127.49 3fg4 s ILE 691 Ca 0.39 0.10 0.11 0.00 -1.10 0.00 0.00 60.65 60.15 3fg4 s ILE 691 Cb -0.08 -0.49 -0.05 0.00 -1.06 0.00 0.00 42.46 40.77 3fg4 s ILE 691 CO 0.17 0.24 -0.18 -0.13 -0.10 0.00 0.00 174.94 174.94 3fg4 s ARG 692 N 1.71 1.69 0.04 2.79 0.52 -0.30 -4.57 118.95 120.83 3fg4 s ARG 692 Ca 0.01 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 3fg4 s ARG 692 Cb -0.13 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 3fg4 s ARG 692 CO -0.04 0.29 -0.08 0.71 0.02 0.00 0.00 175.30 176.21 3fg4 s TYR 693 N -2.55 0.67 0.08 -0.53 1.51 -0.03 -4.56 117.35 111.95 3fg4 s TYR 693 Ca 0.30 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 3fg4 s TYR 693 Cb -0.04 -0.40 -0.00 0.00 -0.11 0.00 0.00 41.96 41.41 3fg4 s TYR 693 CO 0.15 -0.09 0.03 0.00 -1.11 0.00 0.00 175.55 174.53 3fg4 s ALA 695 N -2.23 0.01 -0.35 0.00 0.00 -1.26 -4.95 121.76 112.98 3fg4 s ALA 695 Ca 0.04 -1.09 0.14 0.00 0.00 0.00 0.00 51.96 51.06 3fg4 s ALA 695 Cb 0.00 1.00 0.40 0.00 0.00 0.00 0.00 23.12 24.52 3fg4 s ALA 695 CO 0.03 -0.87 0.85 0.00 0.00 0.00 0.00 175.76 175.77 3fg4 n ALA 696 N -0.50 2.80 -1.40 0.00 0.00 -1.16 -4.71 120.51 115.54 3fg4 n ALA 696 Ca -0.02 -3.32 -0.30 0.00 0.00 0.00 0.00 53.44 49.80 3fg4 n ALA 696 Cb 0.61 -0.92 0.12 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.80 1.52 0.18 0.00 0.04 -0.68 -3.83 135.00 129.42 3fg4 s PRO 697 Ca 0.34 0.63 0.10 0.00 0.04 0.00 0.00 61.00 62.12 3fg4 s PRO 697 Cb 0.40 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 33.04 3fg4 s PRO 697 CO -0.03 -2.01 -0.21 -0.51 0.04 0.00 0.00 177.00 174.28 3fg4 s LEU 698 N -6.02 2.43 -0.03 -3.56 1.02 -0.42 -0.77 118.68 111.33 3fg4 s LEU 698 Ca 0.62 -0.86 -0.30 0.00 0.02 0.00 0.00 54.13 53.62 3fg4 s LEU 698 Cb -0.16 -1.01 0.07 0.00 0.02 0.00 0.00 46.19 45.11 3fg4 s LEU 698 CO 0.55 0.05 0.70 0.00 0.02 0.00 0.00 176.35 177.67 3fg4 s ALA 699 N -1.81 -1.76 0.04 4.21 0.00 -0.95 -0.97 121.76 120.51 3fg4 s ALA 699 Ca 0.18 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.40 3fg4 s ALA 699 Cb -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3fg4 s ALA 699 CO 0.08 -0.42 -0.09 -1.17 0.00 0.00 0.00 175.76 174.16 3fg4 s LEU 700 N -1.40 2.21 0.02 0.00 2.96 0.17 -1.79 118.68 120.85 3fg4 s LEU 700 Ca -0.09 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3fg4 s LEU 700 Cb -0.00 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 3fg4 s LEU 700 CO 0.06 -0.11 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.59 3fg4 s PHE 701 N -1.08 0.27 -0.10 5.38 0.40 0.49 -0.67 117.98 122.67 3fg4 s PHE 701 Ca -0.05 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3fg4 s PHE 701 Cb -0.08 -0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.28 3fg4 s PHE 701 CO 0.01 -0.15 -0.07 -0.47 0.70 0.00 0.00 175.22 175.23 3fg4 s TYR 702 N -1.24 1.40 -0.30 0.36 5.04 -0.16 -0.44 117.35 122.00 3fg4 s TYR 702 Ca -0.13 -0.66 -0.29 0.00 -2.44 0.00 0.00 57.07 53.55 3fg4 s TYR 702 Cb -0.09 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.05 3fg4 s TYR 702 CO -0.01 -0.46 1.51 0.08 -1.34 0.00 0.00 175.55 175.33 3fg4 s VAL 703 N 1.58 3.83 0.83 3.14 1.01 0.50 -0.45 120.40 130.85 3fg4 s VAL 703 Ca 0.02 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 3fg4 s VAL 703 Cb -0.13 -3.93 0.16 0.00 0.00 0.00 0.00 36.38 32.49 3fg4 s VAL 703 CO -0.06 -0.46 1.14 0.54 0.00 0.00 0.00 175.10 176.26 3fg4 s ASN 704 N 4.02 3.77 0.54 3.32 2.20 0.43 -4.90 114.94 124.32 3fg4 s ASN 704 Ca 0.66 -0.12 0.25 0.00 -0.94 0.00 0.00 52.86 52.71 3fg4 s ASN 704 Cb -0.20 -0.09 1.54 0.00 -2.00 0.00 0.00 41.25 40.50 3fg4 s ASN 704 CO 0.29 -2.27 2.16 0.07 -2.94 0.00 0.00 177.10 174.41 3fg4 h LYS 705 N -1.03 0.00 -0.00 3.55 5.09 -1.89 0.16 116.57 122.44 3fg4 h LYS 705 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 3fg4 h LYS 705 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 3fg4 h LYS 705 CO 0.38 0.06 -0.37 1.28 -2.09 0.00 0.00 179.45 178.71 3fg4 n LEU 706 N -3.97 0.76 0.00 7.07 4.77 -1.26 -4.92 117.00 119.44 3fg4 n LEU 706 Ca -0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3fg4 n LEU 706 Cb 0.14 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3fg4 n LEU 706 CO 0.30 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3fg4 n GLY 707 N 1.42 0.87 3.73 -0.72 0.00 0.04 -5.08 105.19 105.46 3fg4 n GLY 707 Ca 0.09 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.69 -0.44 1.61 3.76 -1.26 -4.69 115.29 115.96 3fg4 s HIS 708 Ca 0.00 1.44 -0.25 0.00 -0.15 0.00 0.00 55.06 56.10 3fg4 s HIS 708 Cb 0.00 -2.84 0.02 0.00 1.11 0.00 0.00 32.58 30.87 3fg4 s HIS 708 CO 0.00 0.20 0.92 -1.17 -0.85 0.00 0.00 174.74 173.84 3fg4 s LEU 709 N 0.25 4.02 -0.12 0.89 2.96 -1.26 -0.43 118.68 124.99 3fg4 s LEU 709 Ca 0.39 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 3fg4 s LEU 709 Cb -0.20 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 3fg4 s LEU 709 CO 0.22 -1.01 0.02 -0.04 -1.32 0.00 0.00 176.35 174.22 3fg4 s MET 710 N 3.68 3.36 0.12 1.98 -1.94 0.41 -4.02 119.30 122.89 3fg4 s MET 710 Ca 0.37 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 53.65 3fg4 s MET 710 Cb -0.11 -2.93 -0.07 0.00 2.01 0.00 0.00 34.83 33.73 3fg4 s MET 710 CO 0.25 0.53 1.19 -1.25 -0.01 0.00 0.00 175.02 175.72 3fg4 s PRO 711 N -0.39 4.48 0.00 2.03 0.04 -1.26 -0.99 135.00 138.91 3fg4 s PRO 711 Ca 0.08 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3fg4 s PRO 711 Cb -0.12 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3fg4 s PRO 711 CO 0.02 -0.15 0.00 0.44 0.04 0.00 0.00 177.00 177.35 3fg4 n ILE 712 N 3.17 0.00 -3.63 0.56 -5.35 0.15 -4.74 119.36 109.52 3fg4 n ILE 712 Ca 0.06 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 3fg4 n ILE 712 Cb 0.46 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.28 -1.92 -0.02 -1.28 0.00 -1.17 -4.38 121.76 111.70 3fg4 s ALA 713 Ca 0.00 1.91 0.01 0.00 0.00 0.00 0.00 51.96 53.87 3fg4 s ALA 713 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3fg4 s ALA 713 CO 0.00 -0.27 -0.01 0.42 0.00 0.00 0.00 175.76 175.90 3fg4 s ILE 714 N 0.23 0.22 -0.12 0.00 1.01 0.08 0.46 121.20 123.08 3fg4 s ILE 714 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3fg4 s ILE 714 Cb -0.05 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.14 3fg4 s ILE 714 CO -0.04 0.14 -0.22 -1.58 0.00 0.00 0.00 174.94 173.23 3fg4 s GLN 715 N 0.78 3.06 0.15 2.79 0.74 -0.15 0.26 119.66 127.30 3fg4 s GLN 715 Ca -0.08 -0.86 -0.09 0.00 0.05 0.00 0.00 55.36 54.38 3fg4 s GLN 715 Cb -0.11 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.60 3fg4 s GLN 715 CO -0.01 0.09 1.49 0.82 -0.55 0.00 0.00 175.29 177.12 3fg4 h ILE 716 N 5.75 1.28 -4.22 -2.34 2.04 -1.81 -1.12 117.51 117.08 3fg4 h ILE 716 Ca -0.26 -1.57 -0.31 0.00 1.00 0.00 0.00 64.86 63.72 3fg4 h ILE 716 Cb 1.21 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 3fg4 h ILE 716 CO 0.52 0.52 -0.24 0.59 0.00 0.00 0.00 178.15 179.54 3fg4 n ASN 717 N -4.05 1.83 0.00 1.72 3.02 -1.26 -1.69 115.26 114.83 3fg4 n ASN 717 Ca -0.02 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 3fg4 n ASN 717 Cb 0.55 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 3fg4 n ASN 717 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg4 n GLN 718 N -0.55 0.00 -1.92 3.52 1.13 -0.61 -4.61 117.38 114.34 3fg4 n GLN 718 Ca -0.07 0.38 -0.42 0.00 -1.94 0.00 0.00 57.00 54.95 3fg4 n GLN 718 Cb 0.32 -1.09 -0.03 0.00 0.11 0.00 0.00 30.24 29.55 3fg4 n GLN 718 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fg4 s GLU 719 N -1.50 4.00 0.97 -1.09 0.41 -0.18 -4.80 118.70 116.50 3fg4 s GLU 719 Ca 0.00 2.16 -0.16 0.00 -0.41 0.00 0.00 54.97 56.56 3fg4 s GLU 719 Cb 0.00 -4.07 0.24 0.00 -1.78 0.00 0.00 34.13 28.51 3fg4 s GLU 719 CO 0.00 -1.08 0.97 -0.35 -0.49 0.00 0.00 175.26 174.31 3fg4 n PRO 720 N 7.48 -2.31 0.00 0.39 -0.04 -1.25 -4.73 135.00 134.54 3fg4 n PRO 720 Ca 0.19 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 3fg4 n PRO 720 Cb 0.43 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -3.22 0.61 0.14 0.55 0.00 -1.24 -4.83 105.19 97.20 3fg4 n GLY 721 Ca 0.13 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 3fg4 n GLY 721 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fg4 h PRO 722 N 0.00 0.36 -0.00 1.61 0.14 -1.95 -3.28 132.00 128.88 3fg4 h PRO 722 Ca 0.00 -0.62 0.00 0.00 0.14 0.00 0.00 66.00 65.52 3fg4 h PRO 722 Cb 0.00 0.23 0.00 0.00 0.14 0.00 0.00 31.00 31.37 3fg4 h PRO 722 CO 0.00 1.30 -0.07 0.39 0.14 0.00 0.00 178.00 179.76 3fg4 n GLU 723 N -3.70 0.76 -3.12 0.86 1.02 -1.26 -4.10 120.64 111.11 3fg4 n GLU 723 Ca -0.24 -0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 56.51 3fg4 n GLU 723 Cb 1.03 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 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 -0.93 1.13 -4.77 1.62 2.85 -1.25 -4.47 115.26 109.44 3fg4 n ASN 724 Ca 0.16 -3.02 -0.31 0.00 -0.11 0.00 0.00 54.58 51.30 3fg4 n ASN 724 Cb 0.25 -0.61 0.09 0.00 1.24 0.00 0.00 39.78 40.75 3fg4 n ASN 724 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3fg4 s PRO 725 N -2.57 2.29 -0.07 1.20 0.04 -1.24 -3.66 135.00 131.00 3fg4 s PRO 725 Ca 0.39 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3fg4 s PRO 725 Cb 0.36 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.96 3fg4 s PRO 725 CO -0.07 -1.62 1.36 0.96 0.04 0.00 0.00 177.00 177.66 3fg4 s ILE 726 N -2.86 3.96 0.09 0.56 -0.00 -1.26 -4.41 121.20 117.28 3fg4 s ILE 726 Ca 0.62 1.26 0.02 0.00 -0.00 0.00 0.00 60.65 62.55 3fg4 s ILE 726 Cb -0.17 -3.81 -0.04 0.00 -0.00 0.00 0.00 42.46 38.43 3fg4 s ILE 726 CO 0.55 -0.05 0.17 0.26 -0.00 0.00 0.00 174.94 175.87 3fg4 s TRP 727 N 2.91 3.37 0.04 1.37 0.52 0.14 -4.93 118.94 122.37 3fg4 s TRP 727 Ca 0.61 0.15 -0.02 0.00 0.02 0.00 0.00 56.10 56.86 3fg4 s TRP 727 Cb -0.28 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 3fg4 s TRP 727 CO 0.23 0.55 0.01 0.99 0.02 0.00 0.00 176.95 178.75 3fg4 s THR 728 N -1.52 0.17 -0.83 2.01 2.01 -1.26 -0.74 115.64 115.48 3fg4 s THR 728 Ca 0.33 -1.39 0.11 0.00 0.31 0.00 0.00 61.69 61.04 3fg4 s THR 728 Cb -0.12 -1.06 0.10 0.00 0.01 0.00 0.00 72.50 71.43 3fg4 s THR 728 CO 0.26 -0.77 1.33 -0.81 -0.69 0.00 0.00 174.62 173.94 3fg4 n PRO 729 N 0.61 0.04 -1.82 4.92 -0.04 -1.26 -2.52 135.00 134.93 3fg4 n PRO 729 Ca -0.18 0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 63.38 3fg4 n PRO 729 Cb 0.59 -1.61 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.69 3.09 -2.19 0.54 8.25 -1.26 -5.00 115.22 116.96 3fg4 n HIS 730 Ca 0.01 -2.68 -0.37 0.00 -0.26 0.00 0.00 57.72 54.42 3fg4 n HIS 730 Cb 0.09 -0.91 -0.00 0.00 1.12 0.00 0.00 29.99 30.28 3fg4 n HIS 730 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fg4 s GLU 731 N -3.80 3.63 0.24 -0.41 0.41 -1.05 -4.92 118.70 112.81 3fg4 s GLU 731 Ca 0.56 1.83 -0.03 0.00 -0.41 0.00 0.00 54.97 56.91 3fg4 s GLU 731 Cb 0.45 -2.35 0.28 0.00 -1.78 0.00 0.00 34.13 30.73 3fg4 s GLU 731 CO -0.13 -0.67 1.72 1.49 -0.49 0.00 0.00 175.26 177.18 3fg4 h GLU 732 N 1.89 0.81 -4.86 1.61 4.57 -1.94 -3.36 114.58 113.29 3fg4 h GLU 732 Ca -0.50 -0.24 -0.69 0.00 -1.18 0.00 0.00 59.36 56.75 3fg4 h GLU 732 Cb 1.26 -0.08 -0.19 0.00 -0.16 0.00 0.00 28.75 29.58 3fg4 h GLU 732 CO 0.59 0.84 -0.00 1.21 -1.18 0.00 0.00 179.01 180.48 3fg4 s ASN 733 N -6.66 6.21 0.54 1.04 3.84 -1.26 -4.93 114.94 113.71 3fg4 s ASN 733 Ca -0.10 -0.99 0.24 0.00 0.21 0.00 0.00 52.86 52.23 3fg4 s ASN 733 Cb 0.14 -2.28 1.41 0.00 -0.55 0.00 0.00 41.25 39.98 3fg4 s ASN 733 CO 0.82 -0.87 2.04 1.05 -2.79 0.00 0.00 177.10 177.35 3fg4 h GLU 734 N 8.97 0.00 -0.29 0.43 4.11 -1.95 -1.91 114.58 123.94 3fg4 h GLU 734 Ca -0.28 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.00 3fg4 h GLU 734 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3fg4 h GLU 734 CO 0.96 0.00 -0.43 0.45 0.07 0.00 0.00 179.01 180.06 3fg4 h HIS 735 N 0.00 0.85 -0.41 2.06 3.86 -1.92 -2.73 115.15 116.87 3fg4 h HIS 735 Ca 0.18 -0.26 0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3fg4 h HIS 735 Cb 0.75 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3fg4 h HIS 735 CO 0.00 1.01 0.27 -0.44 0.86 0.00 0.00 177.93 179.63 3fg4 h ASP 736 N 0.57 0.34 0.55 2.45 3.32 -1.59 -0.69 116.42 121.37 3fg4 h ASP 736 Ca 0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3fg4 h ASP 736 Cb 0.97 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.45 3fg4 h ASP 736 CO 0.09 0.23 -0.27 -0.25 -1.72 0.00 0.00 179.24 177.32 3fg4 h TRP 737 N 0.39 -0.69 -0.88 4.55 -0.00 -1.54 -2.56 115.95 115.23 3fg4 h TRP 737 Ca 0.17 -0.02 0.10 0.00 -0.00 0.00 0.00 58.89 59.14 3fg4 h TRP 737 Cb 0.19 0.23 -0.12 0.00 -0.00 0.00 0.00 29.16 29.46 3fg4 h TRP 737 CO -0.00 -0.42 -0.47 -0.12 -0.00 0.00 0.00 178.44 177.43 3fg4 n MET 738 N -5.27 -0.33 -0.29 2.65 1.56 -1.14 -0.93 117.12 113.37 3fg4 n MET 738 Ca -0.09 1.33 0.04 0.00 -0.27 0.00 0.00 57.70 58.71 3fg4 n MET 738 Cb 0.30 -1.96 0.18 0.00 2.15 0.00 0.00 33.22 33.89 3fg4 n MET 738 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 3fg4 h MET 739 N 0.00 0.69 0.02 2.12 1.85 -1.17 -0.40 114.93 118.04 3fg4 h MET 739 Ca 0.19 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3fg4 h MET 739 Cb 0.41 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.28 3fg4 h MET 739 CO -0.84 0.46 -0.01 0.00 -0.40 0.00 0.00 176.91 176.12 3fg4 h ALA 740 N 1.49 -0.03 -1.02 0.39 0.00 -0.59 -0.22 119.26 119.28 3fg4 h ALA 740 Ca 0.41 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.54 3fg4 h ALA 740 Cb 0.46 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 3fg4 h ALA 740 CO -0.29 -0.48 0.66 0.87 0.00 0.00 0.00 179.25 180.01 3fg4 h LYS 741 N -0.10 0.40 -0.02 0.00 1.57 -0.56 0.53 116.57 118.39 3fg4 h LYS 741 Ca -0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3fg4 h LYS 741 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3fg4 h LYS 741 CO 0.00 0.27 -0.45 0.74 -0.57 0.00 0.00 179.45 179.44 3fg4 h PHE 742 N 0.41 0.06 -0.14 -1.35 0.05 0.58 -1.24 116.94 115.31 3fg4 h PHE 742 Ca 0.58 -0.02 -0.21 0.00 3.82 0.00 0.00 57.97 62.14 3fg4 h PHE 742 Cb 1.44 -0.01 0.01 0.00 2.00 0.00 0.00 35.95 39.38 3fg4 h PHE 742 CO -0.00 0.49 -0.76 -1.49 -0.18 0.00 0.00 178.31 176.37 3fg4 h TRP 743 N 0.04 0.94 -0.25 -0.55 4.06 0.41 -0.59 115.95 120.01 3fg4 h TRP 743 Ca -0.00 -0.41 0.03 0.00 2.06 0.00 0.00 58.89 60.57 3fg4 h TRP 743 Cb 0.82 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 3fg4 h TRP 743 CO 0.00 1.23 0.05 1.25 -3.56 0.00 0.00 178.44 177.41 3fg4 h LEU 744 N 0.48 0.02 -0.29 -4.49 5.85 -1.21 -2.94 115.31 112.72 3fg4 h LEU 744 Ca -0.05 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fg4 h LEU 744 Cb 1.38 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3fg4 h LEU 744 CO 0.15 0.04 0.17 1.23 -0.34 0.00 0.00 178.44 179.70 3fg4 h GLY 745 N 0.15 0.42 1.11 3.75 0.00 -0.93 0.06 103.07 107.63 3fg4 h GLY 745 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3fg4 h GLY 745 CO -0.15 0.17 0.50 -0.24 0.00 0.00 0.00 176.54 176.82 3fg4 h VAL 746 N 0.37 1.10 -0.14 4.60 3.04 -1.04 0.16 116.25 124.33 3fg4 h VAL 746 Ca 0.10 -0.31 -0.05 0.00 -1.01 0.00 0.00 66.70 65.43 3fg4 h VAL 746 Cb 0.02 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.42 3fg4 h VAL 746 CO -0.02 0.16 -0.11 0.00 -1.01 0.00 0.00 177.57 176.59 3fg4 h ALA 747 N 1.57 0.21 -0.49 3.17 0.00 -1.30 -2.34 119.26 120.07 3fg4 h ALA 747 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fg4 h ALA 747 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fg4 h ALA 747 CO -0.09 0.06 0.26 1.49 0.00 0.00 0.00 179.25 180.96 3fg4 h GLU 748 N -0.03 0.68 -0.10 0.00 4.81 0.10 -1.11 114.58 118.94 3fg4 h GLU 748 Ca 0.03 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3fg4 h GLU 748 Cb 0.62 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3fg4 h GLU 748 CO 0.03 0.55 -0.22 0.77 -0.73 0.00 0.00 179.01 179.41 3fg4 h SER 749 N 0.64 -0.66 -0.50 1.04 0.02 -0.72 1.00 113.55 114.36 3fg4 h SER 749 Ca 0.17 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 3fg4 h SER 749 Cb 0.07 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3fg4 h SER 749 CO -0.03 -0.27 -0.08 0.78 -1.14 0.00 0.00 176.83 176.09 3fg4 h ASN 750 N -0.29 0.97 -0.19 3.07 4.21 -1.34 -1.24 115.58 120.77 3fg4 h ASN 750 Ca 0.09 -0.30 -0.04 0.00 1.21 0.00 0.00 56.30 57.26 3fg4 h ASN 750 Cb 0.42 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 3fg4 h ASN 750 CO -0.27 1.07 -0.04 0.15 -1.29 0.00 0.00 177.43 177.05 3fg4 h PHE 751 N 0.88 0.40 0.21 1.19 3.57 -0.94 -2.91 116.94 119.34 3fg4 h PHE 751 Ca 0.14 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fg4 h PHE 751 Cb 0.63 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3fg4 h PHE 751 CO 0.04 0.61 -0.15 1.25 -2.23 0.00 0.00 178.31 177.83 3fg4 h HIS 752 N 0.08 -0.40 -0.30 0.41 2.76 0.12 -0.45 115.15 117.36 3fg4 h HIS 752 Ca 0.05 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3fg4 h HIS 752 Cb 0.48 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 3fg4 h HIS 752 CO 0.05 -0.24 0.14 1.96 -1.30 0.00 0.00 177.93 178.55 3fg4 h GLN 753 N -0.37 0.44 0.10 5.26 7.50 -1.32 0.58 115.11 127.30 3fg4 h GLN 753 Ca -0.01 -0.07 -0.26 0.00 0.50 0.00 0.00 58.65 58.82 3fg4 h GLN 753 Cb 0.32 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 3fg4 h GLN 753 CO -0.00 0.42 -1.31 -0.07 -1.50 0.00 0.00 178.83 176.36 3fg4 h LEU 754 N 0.36 0.34 0.00 1.46 3.38 -1.48 -1.98 115.31 117.38 3fg4 h LEU 754 Ca 0.10 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3fg4 h LEU 754 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fg4 h LEU 754 CO -0.01 1.57 -0.57 -3.20 0.09 0.00 0.00 178.44 176.32 3fg4 n ASN 755 N -4.00 1.78 -0.12 -0.43 5.15 -0.21 -1.40 115.26 116.03 3fg4 n ASN 755 Ca -0.24 0.58 -0.11 0.00 -0.60 0.00 0.00 54.58 54.20 3fg4 n ASN 755 Cb 0.86 -0.84 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 3fg4 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg4 h THR 756 N -0.97 1.28 0.00 -0.44 2.02 -1.08 0.14 112.91 113.85 3fg4 h THR 756 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3fg4 h THR 756 Cb 0.57 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3fg4 h THR 756 CO 0.00 0.38 -0.16 1.57 0.37 0.00 0.00 175.52 177.68 3fg4 n HIS 757 N -4.41 0.30 0.05 3.16 -0.00 0.16 -3.98 115.22 110.50 3fg4 n HIS 757 Ca -0.02 0.13 -0.12 0.00 -0.00 0.00 0.00 57.72 57.71 3fg4 n HIS 757 Cb 0.34 -0.42 -0.09 0.00 -0.00 0.00 0.00 29.99 29.83 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 -0.32 -0.14 0.21 0.27 5.85 -1.44 -0.74 115.31 119.01 3fg4 h LEU 758 Ca 0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3fg4 h LEU 758 Cb 0.16 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3fg4 h LEU 758 CO 0.00 0.35 -0.10 0.25 -0.34 0.00 0.00 178.44 178.60 3fg4 h LEU 759 N -0.68 -0.24 -0.14 2.25 5.85 -1.31 0.16 115.31 121.21 3fg4 h LEU 759 Ca -0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3fg4 h LEU 759 Cb 0.51 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3fg4 h LEU 759 CO 0.03 0.28 0.00 0.54 -0.34 0.00 0.00 178.44 178.95 3fg4 n ARG 760 N -4.97 0.08 0.00 1.25 1.74 0.47 -1.41 116.66 113.83 3fg4 n ARG 760 Ca -0.08 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3fg4 n ARG 760 Cb 0.25 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.78 0.00 0.00 0.55 -2.24 -0.29 -4.72 114.28 105.81 3fg4 n THR 761 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3fg4 n THR 761 Cb 0.28 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.25 0.00 0.04 4.78 8.25 -1.21 -1.18 115.22 125.65 3fg4 n HIS 762 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3fg4 n HIS 762 Cb 0.00 -0.11 -0.09 0.00 1.12 0.00 0.00 29.99 30.92 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 0.85 -0.26 2.41 3.38 -0.56 -0.04 115.31 121.07 3fg4 h LEU 763 Ca 0.00 -0.66 -0.09 0.00 0.09 0.00 0.00 57.88 57.22 3fg4 h LEU 763 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3fg4 h LEU 763 CO 0.00 1.46 -0.20 0.71 0.09 0.00 0.00 178.44 180.50 3fg4 h THR 764 N 0.39 1.31 0.00 0.22 1.35 -1.24 -3.04 112.91 111.89 3fg4 h THR 764 Ca -0.11 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3fg4 h THR 764 Cb 1.63 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3fg4 h THR 764 CO 0.19 0.42 0.00 0.71 -0.25 0.00 0.00 175.52 176.59 3fg4 h THR 765 N 0.33 0.00 -0.25 6.82 1.35 -0.99 -2.99 112.91 117.18 3fg4 h THR 765 Ca 0.05 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3fg4 h THR 765 Cb 0.74 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3fg4 h THR 765 CO 0.05 0.00 0.08 -0.08 -0.25 0.00 0.00 175.52 175.32 3fg4 h GLU 766 N 0.00 0.35 -0.78 4.72 4.81 -0.88 -0.17 114.58 122.64 3fg4 h GLU 766 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3fg4 h GLU 766 Cb 0.63 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3fg4 h GLU 766 CO 0.00 0.32 0.41 0.77 -0.73 0.00 0.00 179.01 179.77 3fg4 h SER 767 N 0.35 0.99 -0.17 1.04 0.02 -1.57 0.38 113.55 114.59 3fg4 h SER 767 Ca 0.09 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3fg4 h SER 767 Cb 0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3fg4 h SER 767 CO -0.01 0.82 -0.28 -0.26 -1.14 0.00 0.00 176.83 175.96 3fg4 h PHE 768 N 1.09 0.75 -0.62 3.45 -1.00 -1.48 -0.91 116.94 118.23 3fg4 h PHE 768 Ca 0.27 -0.18 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3fg4 h PHE 768 Cb 0.07 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 3fg4 h PHE 768 CO 0.01 0.87 0.19 0.00 -1.61 0.00 0.00 178.31 177.76 3fg4 h ALA 769 N 1.12 0.81 -0.57 2.45 0.00 -0.35 -1.73 119.26 120.99 3fg4 h ALA 769 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3fg4 h ALA 769 Cb 0.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fg4 h ALA 769 CO 0.06 0.49 0.07 1.25 0.00 0.00 0.00 179.25 181.12 3fg4 h LEU 770 N 0.89 0.93 -1.04 0.00 5.85 -0.65 -2.90 115.31 118.38 3fg4 h LEU 770 Ca 0.20 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3fg4 h LEU 770 Cb 0.30 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3fg4 h LEU 770 CO -0.00 0.97 0.30 -1.28 -0.34 0.00 0.00 178.44 178.08 3fg4 h SER 771 N 0.85 0.89 -0.41 1.25 0.87 -0.87 -0.73 113.55 115.40 3fg4 h SER 771 Ca 0.17 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3fg4 h SER 771 Cb 0.45 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 3fg4 h SER 771 CO 0.02 0.78 -0.03 0.74 -0.53 0.00 0.00 176.83 177.80 3fg4 h THR 772 N 0.97 0.66 -0.34 2.23 2.02 -1.12 0.17 112.91 117.50 3fg4 h THR 772 Ca 0.23 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.25 3fg4 h THR 772 Cb 0.14 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3fg4 h THR 772 CO -0.03 0.01 -0.33 -0.50 0.37 0.00 0.00 175.52 175.04 3fg4 h TRP 773 N 0.07 0.89 -0.18 3.16 4.06 -1.14 -2.33 115.95 120.48 3fg4 h TRP 773 Ca 0.20 -0.24 -0.14 0.00 2.06 0.00 0.00 58.89 60.77 3fg4 h TRP 773 Cb 0.30 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 3fg4 h TRP 773 CO -0.30 0.99 -0.49 0.00 -3.56 0.00 0.00 178.44 175.08 3fg4 h ARG 774 N 0.64 0.49 0.00 0.49 3.08 -0.67 -3.40 114.38 115.01 3fg4 h ARG 774 Ca 0.07 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3fg4 h ARG 774 Cb 0.87 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3fg4 h ARG 774 CO 0.08 0.87 -1.24 0.09 -1.07 0.00 0.00 179.97 178.70 3fg4 n ASN 775 N -3.98 3.89 -4.43 7.04 3.02 0.57 -4.48 115.26 116.88 3fg4 n ASN 775 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.15 3fg4 n ASN 775 Cb 0.56 1.11 -0.12 0.00 -0.61 0.00 0.00 39.78 40.72 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 -3.52 3.95 0.84 3.41 1.43 -0.88 -4.66 118.68 119.25 3fg4 s LEU 776 Ca -0.02 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 3fg4 s LEU 776 Cb 0.03 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.36 3fg4 s LEU 776 CO 0.20 -0.16 1.09 0.00 0.23 0.00 0.00 176.35 177.71 3fg4 n ALA 777 N 4.96 -0.50 0.28 4.21 0.00 -1.26 -4.79 120.51 123.40 3fg4 n ALA 777 Ca -0.14 -0.40 0.17 0.00 0.00 0.00 0.00 53.44 53.07 3fg4 n ALA 777 Cb 0.49 -2.18 0.72 0.00 0.00 0.00 0.00 19.45 18.48 3fg4 n ALA 777 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fg4 h SER 778 N -1.17 0.00 0.57 0.00 4.64 -1.97 -1.05 113.55 114.57 3fg4 h SER 778 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fg4 h SER 778 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3fg4 h SER 778 CO 0.44 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 3fg4 n ALA 779 N -2.11 2.21 -2.71 5.18 0.00 -1.26 -4.65 120.51 117.18 3fg4 n ALA 779 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3fg4 n ALA 779 Cb 0.29 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.69 3.63 0.52 0.00 5.04 -0.40 -0.54 115.29 120.85 3fg4 s HIS 780 Ca 0.20 1.65 0.21 0.00 -1.54 0.00 0.00 55.06 55.59 3fg4 s HIS 780 Cb 0.16 -3.11 1.34 0.00 0.04 0.00 0.00 32.58 31.01 3fg4 s HIS 780 CO 0.40 -0.04 2.05 -1.00 -2.34 0.00 0.00 174.74 173.81 3fg4 h PRO 781 N 6.85 0.01 0.00 2.88 0.13 -1.89 -1.82 132.00 138.16 3fg4 h PRO 781 Ca -0.39 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 3fg4 h PRO 781 Cb 1.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3fg4 h PRO 781 CO 0.77 0.01 -0.84 0.82 -0.23 0.00 0.00 178.00 178.53 3fg4 h ILE 782 N 0.01 1.31 0.18 -3.56 1.08 -1.93 -0.53 117.51 114.08 3fg4 h ILE 782 Ca 0.16 -2.88 -0.01 0.00 -0.39 0.00 0.00 64.86 61.74 3fg4 h ILE 782 Cb 0.61 2.64 -0.00 0.00 -3.07 0.00 0.00 36.82 37.00 3fg4 h ILE 782 CO -0.00 0.75 -0.10 0.15 -0.69 0.00 0.00 178.15 178.25 3fg4 h PHE 783 N 0.00 -0.27 -0.73 1.37 3.57 -1.61 -1.38 116.94 117.89 3fg4 h PHE 783 Ca -0.02 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.56 3fg4 h PHE 783 Cb 1.62 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.38 3fg4 h PHE 783 CO 0.00 -0.16 0.39 0.87 -2.23 0.00 0.00 178.31 177.17 3fg4 h LYS 784 N -0.27 0.64 -0.72 1.11 1.57 -1.27 -1.00 116.57 116.63 3fg4 h LYS 784 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3fg4 h LYS 784 Cb 0.22 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3fg4 h LYS 784 CO 0.02 0.43 0.39 1.25 -0.57 0.00 0.00 179.45 180.97 3fg4 h LEU 785 N 0.66 0.91 0.00 2.94 5.85 -1.03 -3.29 115.31 121.35 3fg4 h LEU 785 Ca 0.35 -0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.72 3fg4 h LEU 785 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3fg4 h LEU 785 CO -0.25 0.75 -1.33 -0.07 -0.34 0.00 0.00 178.44 177.19 3fg4 h LEU 786 N 1.00 0.01 -0.76 2.25 3.38 -0.70 -3.38 115.31 117.10 3fg4 h LEU 786 Ca 0.25 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.38 3fg4 h LEU 786 Cb 0.05 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.65 3fg4 h LEU 786 CO -0.04 1.01 -0.13 -0.61 0.09 0.00 0.00 178.44 178.75 3fg4 h GLN 787 N 0.00 0.02 0.00 1.13 4.15 -1.27 0.92 115.11 120.06 3fg4 h GLN 787 Ca -0.14 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3fg4 h GLN 787 Cb 1.89 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.57 3fg4 h GLN 787 CO 0.11 0.02 0.00 -0.35 -1.93 0.00 0.00 178.83 176.67 3fg4 n PRO 788 N -5.46 0.16 -0.05 -2.39 -0.04 -1.26 -3.02 135.00 122.93 3fg4 n PRO 788 Ca 0.12 0.39 -0.01 0.00 -0.04 0.00 0.00 63.50 63.95 3fg4 n PRO 788 Cb 0.42 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 31.95 3fg4 n PRO 788 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fg4 n HIS 789 N -2.09 0.00 0.99 0.54 8.25 0.28 -4.17 115.22 119.03 3fg4 n HIS 789 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 3fg4 n HIS 789 Cb 0.22 -0.65 0.46 0.00 1.12 0.00 0.00 29.99 31.13 3fg4 n HIS 789 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fg4 n ILE 790 N -2.42 0.01 -1.89 1.59 -5.35 0.87 -4.30 119.36 107.87 3fg4 n ILE 790 Ca -0.17 -0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 61.88 3fg4 n ILE 790 Cb 0.81 -0.19 -0.02 0.00 -1.74 0.00 0.00 39.64 38.50 3fg4 n ILE 790 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3fg4 s TYR 791 N -3.00 2.85 0.00 4.28 5.04 -1.17 -3.45 117.35 121.90 3fg4 s TYR 791 Ca 0.13 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 3fg4 s TYR 791 Cb 0.18 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.55 3fg4 s TYR 791 CO 0.60 -3.04 0.00 0.41 -1.34 0.00 0.00 175.55 172.19 3fg4 n GLY 792 N 1.84 3.01 0.29 8.97 0.00 -1.26 -4.18 105.19 113.85 3fg4 n GLY 792 Ca 0.06 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 1.25 -0.36 1.61 3.04 -1.34 0.75 116.25 121.20 3fg4 h VAL 793 Ca 0.00 -1.08 -0.06 0.00 -1.01 0.00 0.00 66.70 64.55 3fg4 h VAL 793 Cb 0.00 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 3fg4 h VAL 793 CO 0.00 0.38 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.87 3fg4 h LEU 794 N 0.82 0.63 0.59 3.16 3.38 -1.84 -0.52 115.31 121.52 3fg4 h LEU 794 Ca 0.15 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3fg4 h LEU 794 Cb 0.50 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3fg4 h LEU 794 CO 0.03 0.79 -0.29 0.00 0.09 0.00 0.00 178.44 179.06 3fg4 h ALA 795 N 0.86 -0.80 -0.50 1.53 0.00 -1.48 -0.85 119.26 118.03 3fg4 h ALA 795 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3fg4 h ALA 795 Cb 0.47 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3fg4 h ALA 795 CO 0.02 -0.79 0.20 0.97 0.00 0.00 0.00 179.25 179.64 3fg4 h ILE 796 N -1.11 1.19 -0.24 0.00 6.09 -0.92 0.66 117.51 123.17 3fg4 h ILE 796 Ca -0.08 -0.58 -0.15 0.00 -1.37 0.00 0.00 64.86 62.67 3fg4 h ILE 796 Cb 0.66 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3fg4 h ILE 796 CO 0.13 0.23 -0.47 0.44 -3.07 0.00 0.00 178.15 175.41 3fg4 h ASP 797 N 0.71 0.68 -0.32 2.19 3.32 -1.12 -0.84 116.42 121.04 3fg4 h ASP 797 Ca 0.17 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3fg4 h ASP 797 Cb 0.15 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3fg4 h ASP 797 CO -0.02 1.04 0.16 0.74 -1.72 0.00 0.00 179.24 179.44 3fg4 h THR 798 N 0.50 1.15 -0.77 0.35 2.02 -0.32 -1.37 112.91 114.47 3fg4 h THR 798 Ca 0.03 -0.43 0.11 0.00 0.77 0.00 0.00 66.41 66.89 3fg4 h THR 798 Cb 1.01 0.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.19 3fg4 h THR 798 CO 0.09 0.16 0.39 0.40 0.37 0.00 0.00 175.52 176.93 3fg4 h ILE 799 N 0.38 0.81 -0.27 3.11 2.04 -0.78 -2.02 117.51 120.77 3fg4 h ILE 799 Ca 0.11 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 3fg4 h ILE 799 Cb 0.11 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3fg4 h ILE 799 CO -0.01 0.11 -0.45 1.23 0.00 0.00 0.00 178.15 179.03 3fg4 h GLY 800 N 0.62 0.86 1.15 5.37 0.00 -0.63 -2.25 103.07 108.20 3fg4 h GLY 800 Ca 0.39 -0.98 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3fg4 h GLY 800 CO -0.30 0.88 0.27 3.21 0.00 0.00 0.00 176.54 180.60 3fg4 h ARG 801 N 0.54 1.07 -0.01 4.80 3.08 -1.10 -3.12 114.38 119.64 3fg4 h ARG 801 Ca 0.02 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3fg4 h ARG 801 Cb 1.05 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3fg4 h ARG 801 CO 0.10 0.88 -0.03 1.63 -1.07 0.00 0.00 179.97 181.49 3fg4 n LYS 802 N -4.28 1.38 -3.66 0.04 5.02 -0.78 -5.12 118.16 110.77 3fg4 n LYS 802 Ca 0.06 -0.67 -0.05 0.00 -2.02 0.00 0.00 58.31 55.64 3fg4 n LYS 802 Cb 0.19 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3fg4 n LYS 802 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3fg4 s GLU 803 N -2.07 1.03 -0.24 1.97 -1.05 -0.86 -5.06 118.70 112.41 3fg4 s GLU 803 Ca 0.38 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.69 3fg4 s GLU 803 Cb 0.21 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.28 3fg4 s GLU 803 CO 0.37 -0.46 0.20 0.28 0.95 0.00 0.00 175.26 176.59 3fg4 n VAL 811 N -0.39 -1.94 0.00 1.83 0.31 -1.26 -4.64 118.33 112.23 3fg4 n VAL 811 Ca -0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3fg4 n VAL 811 Cb 0.61 -3.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.18 3fg4 n VAL 811 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3fg4 n ASP 812 N -1.64 0.00 -0.01 4.52 -0.08 -1.26 -4.79 116.55 113.29 3fg4 n ASP 812 Ca -0.04 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.38 3fg4 n ASP 812 Cb 0.53 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.60 3fg4 n ASP 812 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fg4 n GLN 813 N 0.00 0.14 0.00 -0.67 3.00 -1.26 -4.26 117.38 114.33 3fg4 n GLN 813 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3fg4 n GLN 813 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 3fg4 n GLN 813 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3fg4 n SER 814 N -1.42 0.80 -4.28 1.08 3.41 -1.26 -4.85 113.62 107.11 3fg4 n SER 814 Ca 0.09 -1.25 -0.27 0.00 -0.26 0.00 0.00 58.87 57.18 3fg4 n SER 814 Cb 0.32 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 3fg4 n SER 814 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fg4 s LEU 815 N -0.25 2.17 0.28 1.04 1.43 -1.26 -4.42 118.68 117.68 3fg4 s LEU 815 Ca 0.00 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3fg4 s LEU 815 Cb 0.00 -1.07 0.63 0.00 0.03 0.00 0.00 46.19 45.78 3fg4 s LEU 815 CO 0.00 0.19 1.78 0.28 0.23 0.00 0.00 176.35 178.83 3fg4 h SER 816 N 4.80 0.72 -0.04 2.29 0.02 -0.99 -1.97 113.55 118.39 3fg4 h SER 816 Ca -0.44 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3fg4 h SER 816 Cb 1.16 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3fg4 h SER 816 CO 0.44 0.30 0.00 0.18 -1.14 0.00 0.00 176.83 176.60 3fg4 n LEU 817 N -4.78 0.63 -4.47 5.07 4.32 -1.26 -0.03 117.00 116.48 3fg4 n LEU 817 Ca 0.20 -0.24 -0.28 0.00 -0.02 0.00 0.00 56.01 55.67 3fg4 n LEU 817 Cb 0.48 -0.02 0.26 0.00 -1.62 0.00 0.00 43.42 42.51 3fg4 n LEU 817 CO 0.22 0.12 0.51 -0.83 -1.22 0.00 0.00 177.39 176.19 3fg4 s GLY 818 N -1.79 1.52 0.00 -0.72 0.00 -0.74 -1.12 107.32 104.46 3fg4 s GLY 818 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3fg4 s GLY 818 CO 0.30 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.49 3fg4 n GLY 819 N 0.72 1.13 0.00 0.20 0.00 -1.26 -3.02 105.19 102.96 3fg4 n GLY 819 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.37 0.18 -0.02 0.00 -1.26 -4.97 105.19 98.50 3fg4 n GLY 820 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.89 -0.02 0.00 -1.67 -3.15 103.07 99.12 3fg4 h GLY 821 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3fg4 h GLY 821 CO 0.00 0.00 -0.07 1.12 0.00 0.00 0.00 176.54 177.59 3fg4 h HIS 822 N 0.00 0.65 0.08 5.60 2.07 -1.38 -0.93 115.15 121.25 3fg4 h HIS 822 Ca 0.00 -0.14 0.01 0.00 -2.85 0.00 0.00 60.37 57.39 3fg4 h HIS 822 Cb 0.27 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 3fg4 h HIS 822 CO 0.00 0.77 -0.10 -0.24 -3.07 0.00 0.00 177.93 175.29 3fg4 h VAL 823 N 0.35 0.77 -0.88 6.12 3.04 -1.85 -1.65 116.25 122.14 3fg4 h VAL 823 Ca 0.08 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.93 3fg4 h VAL 823 Cb 0.56 0.77 -0.07 0.00 -2.01 0.00 0.00 31.29 30.53 3fg4 h VAL 823 CO 0.03 0.00 0.57 0.74 -1.01 0.00 0.00 177.57 177.90 3fg4 h THR 824 N -0.22 0.77 0.02 3.17 2.02 -1.61 0.06 112.91 117.12 3fg4 h THR 824 Ca 0.01 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.73 3fg4 h THR 824 Cb 0.22 0.15 0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3fg4 h THR 824 CO -0.04 0.11 -1.05 0.15 0.37 0.00 0.00 175.52 175.05 3fg4 h PHE 825 N 0.58 0.89 -0.34 3.16 3.57 -0.85 -0.56 116.94 123.39 3fg4 h PHE 825 Ca 0.45 -0.50 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3fg4 h PHE 825 Cb 0.88 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3fg4 h PHE 825 CO -0.00 1.33 0.13 0.52 -2.23 0.00 0.00 178.31 178.06 3fg4 h MET 826 N 0.31 0.51 -0.46 1.11 2.86 -0.71 0.15 114.93 118.71 3fg4 h MET 826 Ca -0.12 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3fg4 h MET 826 Cb 1.70 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 33.19 3fg4 h MET 826 CO 0.20 0.51 -0.17 0.93 1.06 0.00 0.00 176.91 179.43 3fg4 h GLU 827 N 0.40 -0.07 -0.32 1.72 5.08 -0.96 0.95 114.58 121.37 3fg4 h GLU 827 Ca 0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3fg4 h GLU 827 Cb 0.19 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3fg4 h GLU 827 CO -0.01 -0.05 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.73 3fg4 h LYS 828 N -0.07 0.08 -0.59 2.33 3.64 -0.50 -2.66 116.57 118.80 3fg4 h LYS 828 Ca 0.22 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3fg4 h LYS 828 Cb 0.41 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3fg4 h LYS 828 CO -0.51 0.06 0.13 0.00 -2.27 0.00 0.00 179.45 176.86 3fg4 h PHE 830 N 0.86 0.53 -0.99 0.00 3.57 -0.56 -2.22 116.94 118.14 3fg4 h PHE 830 Ca 0.18 -0.04 0.28 0.00 3.53 0.00 0.00 57.97 61.92 3fg4 h PHE 830 Cb 0.37 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3fg4 h PHE 830 CO 0.03 0.51 0.70 0.87 -2.23 0.00 0.00 178.31 178.18 3fg4 h LYS 831 N 0.51 0.08 -0.13 1.11 1.57 -1.31 0.28 116.57 118.67 3fg4 h LYS 831 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3fg4 h LYS 831 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fg4 h LYS 831 CO 0.01 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 3fg4 n GLU 832 N -4.31 2.00 -2.68 3.15 -0.58 -0.84 -1.03 120.64 116.35 3fg4 n GLU 832 Ca 0.21 -1.48 -0.42 0.00 -0.42 0.00 0.00 57.16 55.06 3fg4 n GLU 832 Cb 1.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 3fg4 n GLU 832 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg4 s VAL 833 N -1.84 4.77 -0.09 2.62 1.01 0.08 -4.99 120.40 121.96 3fg4 s VAL 833 Ca 0.34 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.34 3fg4 s VAL 833 Cb 0.20 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3fg4 s VAL 833 CO 0.30 0.16 -0.16 0.21 0.00 0.00 0.00 175.10 175.62 3fg4 s ASN 834 N 0.98 2.29 0.46 3.32 2.47 -1.26 -4.20 114.94 119.00 3fg4 s ASN 834 Ca 0.53 -0.40 0.36 0.00 0.42 0.00 0.00 52.86 53.76 3fg4 s ASN 834 Cb -0.22 -1.04 1.54 0.00 -1.45 0.00 0.00 41.25 40.08 3fg4 s ASN 834 CO 0.28 0.05 1.57 -0.11 -3.72 0.00 0.00 177.10 175.17 3fg4 n LEU 835 N 3.91 0.18 0.18 3.21 7.94 0.78 0.11 117.00 133.31 3fg4 n LEU 835 Ca -0.21 1.33 0.13 0.00 -1.11 0.00 0.00 56.01 56.15 3fg4 n LEU 835 Cb 0.52 -0.65 0.60 0.00 0.53 0.00 0.00 43.42 44.41 3fg4 n LEU 835 CO 0.25 -1.43 0.89 1.56 -1.11 0.00 0.00 177.39 177.56 3fg4 h GLN 836 N 0.00 0.00 0.00 1.96 1.08 -1.84 -1.52 115.11 114.79 3fg4 h GLN 836 Ca 0.89 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 58.09 3fg4 h GLN 836 Cb 3.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.44 3fg4 h GLN 836 CO -0.39 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.24 3fg4 n ASP 837 N -2.44 0.28 -0.72 1.46 8.00 0.31 -2.37 116.55 121.07 3fg4 n ASP 837 Ca 0.01 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.20 3fg4 n ASP 837 Cb 0.18 -0.63 0.15 0.00 -0.02 0.00 0.00 41.12 40.80 3fg4 n ASP 837 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fg4 n TYR 838 N -1.81 0.00 -3.14 1.24 4.02 -0.57 -4.78 117.16 112.13 3fg4 n TYR 838 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 3fg4 n TYR 838 Cb 0.19 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.16 3.06 0.01 -0.72 2.46 -1.00 -4.69 115.29 112.24 3fg4 s HIS 839 Ca 0.27 -0.26 -0.25 0.00 0.47 0.00 0.00 55.06 55.28 3fg4 s HIS 839 Cb 0.20 -3.40 -0.18 0.00 -0.13 0.00 0.00 32.58 29.06 3fg4 s HIS 839 CO 0.39 -0.94 1.35 1.25 -2.47 0.00 0.00 174.74 174.33 3fg4 h LEU 840 N 9.70 -0.10 -1.37 8.88 5.85 -1.88 -1.02 115.31 135.37 3fg4 h LEU 840 Ca -0.26 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.23 3fg4 h LEU 840 Cb 1.10 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3fg4 h LEU 840 CO 0.92 0.25 0.49 -0.65 -0.34 0.00 0.00 178.44 179.11 3fg4 h PRO 841 N -0.47 0.72 -0.14 5.25 0.11 -1.97 -1.62 132.00 133.88 3fg4 h PRO 841 Ca -0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3fg4 h PRO 841 Cb 0.40 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3fg4 h PRO 841 CO 0.02 0.47 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.22 3fg4 h ASN 842 N 0.74 0.37 -0.88 -2.05 -0.26 -1.87 -1.63 115.58 110.00 3fg4 h ASN 842 Ca 0.33 -0.49 0.14 0.00 -0.56 0.00 0.00 56.30 55.71 3fg4 h ASN 842 Cb 0.33 -0.11 -0.09 0.00 -1.06 0.00 0.00 38.32 37.40 3fg4 h ASN 842 CO -0.12 0.79 0.48 0.00 -1.06 0.00 0.00 177.43 177.53 3fg4 h ALA 843 N 0.59 1.32 -0.02 -0.83 0.00 -1.06 0.34 119.26 119.60 3fg4 h ALA 843 Ca 0.02 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 3fg4 h ALA 843 Cb 0.70 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fg4 h ALA 843 CO 0.04 -0.01 -1.00 -0.07 0.00 0.00 0.00 179.25 178.21 3fg4 h LEU 844 N 0.71 0.91 0.83 0.00 3.38 -1.17 -0.53 115.31 119.44 3fg4 h LEU 844 Ca 0.46 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3fg4 h LEU 844 Cb 0.60 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fg4 h LEU 844 CO -0.33 1.51 -0.48 0.50 0.09 0.00 0.00 178.44 179.74 3fg4 h LYS 845 N 0.40 -1.17 -0.79 1.13 1.63 -1.02 -1.80 116.57 114.95 3fg4 h LYS 845 Ca -0.12 0.08 0.18 0.00 -0.85 0.00 0.00 60.65 59.94 3fg4 h LYS 845 Cb 1.65 0.27 -0.05 0.00 -0.60 0.00 0.00 32.23 33.50 3fg4 h LYS 845 CO 0.20 -0.78 0.53 -0.22 -3.45 0.00 0.00 179.45 175.73 3fg4 h LYS 846 N -1.21 0.31 0.00 1.90 3.64 -0.32 0.17 116.57 121.06 3fg4 h LYS 846 Ca -0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3fg4 h LYS 846 Cb 0.96 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3fg4 h LYS 846 CO 0.14 0.20 -0.09 0.54 -2.27 0.00 0.00 179.45 177.96 3fg4 n ARG 847 N -4.45 0.16 -1.62 1.90 1.74 -0.21 -4.93 116.66 109.25 3fg4 n ARG 847 Ca 0.16 0.12 -0.03 0.00 -0.77 0.00 0.00 57.85 57.33 3fg4 n ARG 847 Cb 0.64 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.39 0.41 0.30 -0.13 0.00 0.61 -0.69 105.19 107.07 3fg4 n GLY 848 Ca 0.06 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.25 3fg4 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg4 n VAL 849 N -3.52 0.64 0.14 1.61 0.24 -0.74 -4.40 118.33 112.30 3fg4 n VAL 849 Ca -0.03 -0.82 0.06 0.00 -2.04 0.00 0.00 64.34 61.51 3fg4 n VAL 849 Cb 0.33 0.73 0.23 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.14 3.29 -4.29 -1.34 5.75 -1.22 -4.80 116.55 114.07 3fg4 n ASP 850 Ca 0.05 -2.32 -0.42 0.00 -0.01 0.00 0.00 54.79 52.09 3fg4 n ASP 850 Cb 0.27 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.79 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 -0.71 5.81 0.22 -1.12 2.15 -1.26 -4.96 116.67 116.80 3fg4 s ASP 851 Ca 0.32 -1.56 0.17 0.00 0.43 0.00 0.00 52.55 51.91 3fg4 s ASP 851 Cb 0.21 -2.05 0.84 0.00 -0.30 0.00 0.00 42.92 41.62 3fg4 s ASP 851 CO 0.15 -0.61 1.51 -0.81 -0.17 0.00 0.00 175.17 175.24 3fg4 n PRO 852 N 5.00 0.11 0.03 4.34 -0.04 -1.26 -0.97 135.00 142.21 3fg4 n PRO 852 Ca -0.10 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3fg4 n PRO 852 Cb 0.42 -1.81 0.01 0.00 -0.04 0.00 0.00 33.50 32.08 3fg4 n PRO 852 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fg4 n SER 853 N -2.04 0.60 -0.10 3.54 3.41 -1.26 -3.82 113.62 113.95 3fg4 n SER 853 Ca -0.00 -0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.33 3fg4 n SER 853 Cb 0.07 0.84 -0.15 0.00 -0.26 0.00 0.00 64.21 64.71 3fg4 n SER 853 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fg4 n LYS 854 N -2.02 0.68 -3.51 4.33 4.01 -0.38 -4.89 118.16 116.38 3fg4 n LYS 854 Ca 0.01 0.03 -0.29 0.00 -0.51 0.00 0.00 58.31 57.55 3fg4 n LYS 854 Cb 0.45 -1.54 -0.12 0.00 -0.51 0.00 0.00 35.03 33.31 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 -5.65 1.38 0.76 -0.35 2.96 -0.14 -4.70 118.68 112.94 3fg4 s LEU 855 Ca -0.13 -2.33 -0.07 0.00 -0.22 0.00 0.00 54.13 51.39 3fg4 s LEU 855 Cb 0.06 -0.54 0.11 0.00 0.50 0.00 0.00 46.19 46.33 3fg4 s LEU 855 CO 0.80 -0.29 1.07 -2.16 -1.32 0.00 0.00 176.35 174.45 3fg4 s PRO 856 N 0.86 1.69 -1.26 0.98 0.04 -1.25 -4.45 135.00 131.61 3fg4 s PRO 856 Ca 0.19 -0.55 -0.02 0.00 0.04 0.00 0.00 61.00 60.66 3fg4 s PRO 856 Cb -0.22 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3fg4 s PRO 856 CO -0.00 -1.56 0.96 0.41 0.04 0.00 0.00 177.00 176.85 3fg4 n GLY 857 N -3.08 -0.38 2.82 0.56 0.00 -1.26 -4.96 105.19 98.90 3fg4 n GLY 857 Ca 0.12 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.42 2.53 -0.04 1.61 5.36 -1.26 -4.89 117.98 117.87 3fg4 s PHE 858 Ca 0.11 -2.68 0.13 0.00 -0.96 0.00 0.00 56.93 53.52 3fg4 s PHE 858 Cb -0.05 -2.29 -0.19 0.00 -0.34 0.00 0.00 43.02 40.15 3fg4 s PHE 858 CO 0.75 -0.79 0.84 1.88 -1.46 0.00 0.00 175.22 176.44 3fg4 h TYR 859 N 6.85 0.00 -0.40 10.12 -1.99 -1.93 -2.68 116.97 126.94 3fg4 h TYR 859 Ca -0.05 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.76 3fg4 h TYR 859 Cb 0.93 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.59 3fg4 h TYR 859 CO 0.48 0.89 -0.03 -0.92 -0.00 0.00 0.00 178.16 178.59 3fg4 h TYR 860 N 0.00 -0.08 0.35 4.88 3.20 -1.95 0.10 116.97 123.48 3fg4 h TYR 860 Ca -0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 3fg4 h TYR 860 Cb 1.86 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 40.19 3fg4 h TYR 860 CO 0.00 -0.11 -0.51 -0.09 -1.64 0.00 0.00 178.16 175.81 3fg4 h ARG 861 N 0.07 -0.87 -0.54 1.82 2.43 -1.85 0.46 114.38 115.90 3fg4 h ARG 861 Ca 0.20 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3fg4 h ARG 861 Cb 0.29 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3fg4 h ARG 861 CO -0.35 -0.58 0.03 -0.44 -1.51 0.00 0.00 179.97 177.12 3fg4 h ASP 862 N -0.90 0.85 0.36 -3.80 3.45 -1.23 -0.14 116.42 115.01 3fg4 h ASP 862 Ca -0.04 -0.20 -0.32 0.00 0.43 0.00 0.00 57.03 56.89 3fg4 h ASP 862 Cb 0.83 -0.23 0.03 0.00 -0.56 0.00 0.00 39.33 39.39 3fg4 h ASP 862 CO -0.15 0.90 -1.46 0.44 -1.57 0.00 0.00 179.24 177.40 3fg4 h ASP 863 N 0.83 0.70 -0.56 6.45 3.32 -0.79 -2.76 116.42 123.62 3fg4 h ASP 863 Ca 0.16 -0.78 0.01 0.00 0.02 0.00 0.00 57.03 56.45 3fg4 h ASP 863 Cb 0.45 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3fg4 h ASP 863 CO 0.02 1.62 0.36 1.23 -1.72 0.00 0.00 179.24 180.74 3fg4 h GLY 864 N 0.65 0.79 1.36 2.75 0.00 0.18 -0.97 103.07 107.82 3fg4 h GLY 864 Ca -0.24 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 3fg4 h GLY 864 CO 0.24 0.26 -0.38 1.41 0.00 0.00 0.00 176.54 178.07 3fg4 h LEU 865 N 0.72 0.75 -0.74 3.11 3.38 -1.09 0.18 115.31 121.63 3fg4 h LEU 865 Ca 0.21 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3fg4 h LEU 865 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3fg4 h LEU 865 CO -0.06 1.05 -0.01 0.00 0.09 0.00 0.00 178.44 179.51 3fg4 h ALA 866 N 0.98 0.94 -0.19 1.53 0.00 -1.20 -2.18 119.26 119.14 3fg4 h ALA 866 Ca 0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 3fg4 h ALA 866 Cb 0.92 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3fg4 h ALA 866 CO 0.08 0.64 -0.71 -0.07 0.00 0.00 0.00 179.25 179.19 3fg4 h LEU 867 N 0.87 0.95 -0.23 0.00 3.38 -0.81 -2.70 115.31 116.78 3fg4 h LEU 867 Ca 0.16 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3fg4 h LEU 867 Cb 0.53 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3fg4 h LEU 867 CO 0.03 1.39 -0.11 -0.25 0.09 0.00 0.00 178.44 179.59 3fg4 h TRP 868 N 0.58 -0.25 -0.88 1.13 2.91 -0.58 0.56 115.95 119.42 3fg4 h TRP 868 Ca -0.03 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.03 3fg4 h TRP 868 Cb 1.33 0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 30.08 3fg4 h TRP 868 CO 0.08 -0.16 0.58 1.49 -1.03 0.00 0.00 178.44 179.40 3fg4 h GLU 869 N -0.07 1.13 -0.24 2.65 4.22 -1.37 -0.04 114.58 120.86 3fg4 h GLU 869 Ca 0.12 -0.07 -0.20 0.00 0.08 0.00 0.00 59.36 59.30 3fg4 h GLU 869 Cb 0.26 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3fg4 h GLU 869 CO -0.28 0.75 -0.63 0.00 -2.18 0.00 0.00 179.01 176.68 3fg4 h ALA 870 N 1.34 0.40 -0.27 2.92 0.00 -1.10 -1.41 119.26 121.12 3fg4 h ALA 870 Ca 0.33 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3fg4 h ALA 870 Cb -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3fg4 h ALA 870 CO -0.09 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.77 3fg4 h ILE 871 N 0.61 1.16 -0.20 0.00 2.04 -0.51 -2.32 117.51 118.29 3fg4 h ILE 871 Ca -0.01 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.43 3fg4 h ILE 871 Cb 1.24 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 3fg4 h ILE 871 CO 0.14 0.16 -0.13 -0.08 0.00 0.00 0.00 178.15 178.24 3fg4 h GLU 872 N 0.30 -0.12 -0.37 2.37 4.81 -0.98 -0.07 114.58 120.52 3fg4 h GLU 872 Ca 0.09 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3fg4 h GLU 872 Cb 0.15 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3fg4 h GLU 872 CO -0.01 -0.08 0.13 1.15 -0.73 0.00 0.00 179.01 179.47 3fg4 h THR 873 N -0.13 0.89 0.20 0.32 2.02 -1.24 0.77 112.91 115.75 3fg4 h THR 873 Ca 0.12 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3fg4 h THR 873 Cb 0.30 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3fg4 h THR 873 CO -0.28 0.05 -0.10 0.15 0.37 0.00 0.00 175.52 175.71 3fg4 h PHE 874 N 0.28 -0.25 -0.71 3.16 3.57 -0.99 -2.22 116.94 119.78 3fg4 h PHE 874 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3fg4 h PHE 874 Cb 0.14 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3fg4 h PHE 874 CO -0.15 -0.09 0.40 0.82 -2.23 0.00 0.00 178.31 177.06 3fg4 h ILE 875 N -0.36 0.97 -0.71 1.41 2.04 -0.74 -0.96 117.51 119.15 3fg4 h ILE 875 Ca -0.03 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.66 3fg4 h ILE 875 Cb 0.27 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 3fg4 h ILE 875 CO 0.05 0.13 0.38 1.23 0.00 0.00 0.00 178.15 179.94 3fg4 h GLY 876 N 0.73 1.07 1.39 5.37 0.00 -0.78 0.23 103.07 111.08 3fg4 h GLY 876 Ca 0.32 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 3fg4 h GLY 876 CO -0.19 0.11 -0.41 0.83 0.00 0.00 0.00 176.54 176.88 3fg4 h GLU 877 N 0.67 0.67 -0.23 4.80 5.08 -0.71 -0.89 114.58 123.97 3fg4 h GLU 877 Ca 0.34 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3fg4 h GLU 877 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fg4 h GLU 877 CO -0.23 0.95 0.06 0.82 -1.00 0.00 0.00 179.01 179.61 3fg4 h ILE 878 N 0.55 1.20 -0.41 3.13 1.08 -0.51 -2.94 117.51 119.62 3fg4 h ILE 878 Ca 0.04 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 63.91 3fg4 h ILE 878 Cb 0.94 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 3fg4 h ILE 878 CO 0.08 0.21 0.12 0.40 -0.69 0.00 0.00 178.15 178.28 3fg4 h ILE 879 N 0.19 0.85 0.00 -0.67 2.04 -0.35 -2.66 117.51 116.91 3fg4 h ILE 879 Ca 0.07 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3fg4 h ILE 879 Cb 0.26 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3fg4 h ILE 879 CO -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 178.15 178.16 3fg4 h ALA 880 N 1.28 1.17 -0.27 1.87 0.00 -1.06 0.16 119.26 122.41 3fg4 h ALA 880 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3fg4 h ALA 880 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fg4 h ALA 880 CO -0.21 0.06 -0.39 0.82 0.00 0.00 0.00 179.25 179.52 3fg4 h ILE 881 N 0.00 1.30 0.00 0.00 2.04 -1.30 -3.37 117.51 116.19 3fg4 h ILE 881 Ca -0.00 -1.58 -0.36 0.00 1.00 0.00 0.00 64.86 63.92 3fg4 h ILE 881 Cb 0.22 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3fg4 h ILE 881 CO 0.01 0.51 -2.26 0.49 0.00 0.00 0.00 178.15 176.90 3fg4 n PHE 882 N -4.18 0.20 -3.85 1.37 3.01 -0.54 -4.82 117.46 108.65 3fg4 n PHE 882 Ca -0.04 0.07 -0.36 0.00 1.01 0.00 0.00 57.45 58.13 3fg4 n PHE 882 Cb 0.54 -1.04 -0.13 0.00 -0.01 0.00 0.00 39.48 38.84 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 -2.51 3.18 -0.79 1.38 1.51 0.46 -4.90 117.35 115.69 3fg4 s TYR 883 Ca -0.09 -1.47 0.27 0.00 -1.01 0.00 0.00 57.07 54.76 3fg4 s TYR 883 Cb 0.06 -2.17 0.89 0.00 -0.11 0.00 0.00 41.96 40.64 3fg4 s TYR 883 CO 0.82 -0.71 1.80 1.63 -1.11 0.00 0.00 175.55 177.98 3fg4 n LYS 884 N 4.74 0.21 -3.93 -0.62 4.76 -1.26 -4.37 118.16 117.68 3fg4 n LYS 884 Ca -0.14 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3fg4 n LYS 884 Cb 0.46 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 31.92 3fg4 n LYS 884 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3fg4 s ASN 885 N -4.19 0.00 0.49 4.39 2.20 -1.26 -5.04 114.94 111.53 3fg4 s ASN 885 Ca 0.11 -0.38 0.25 0.00 -0.94 0.00 0.00 52.86 51.91 3fg4 s ASN 885 Cb 0.14 0.28 1.28 0.00 -2.00 0.00 0.00 41.25 40.95 3fg4 s ASN 885 CO 0.59 -0.56 2.00 0.44 -2.94 0.00 0.00 177.10 176.62 3fg4 h ASP 886 N 2.00 0.00 -0.02 3.54 3.32 -1.92 -2.93 116.42 120.41 3fg4 h ASP 886 Ca -0.25 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.63 3fg4 h ASP 886 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 3fg4 h ASP 886 CO 0.33 0.16 -0.58 -0.78 -1.72 0.00 0.00 179.24 176.65 3fg4 h ASP 887 N 0.00 0.69 -0.93 6.45 3.58 -1.97 -1.85 116.42 122.40 3fg4 h ASP 887 Ca -0.00 -0.38 0.05 0.00 0.42 0.00 0.00 57.03 57.12 3fg4 h ASP 887 Cb 0.44 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3fg4 h ASP 887 CO 0.02 1.12 0.60 0.44 -2.88 0.00 0.00 179.24 178.54 3fg4 h ASP 888 N 0.46 0.96 0.08 2.28 3.32 -1.92 0.13 116.42 121.73 3fg4 h ASP 888 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 888 Cb 1.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3fg4 h ASP 888 CO 0.11 0.63 -0.04 0.58 -1.72 0.00 0.00 179.24 178.81 3fg4 h VAL 889 N 1.10 1.06 -0.69 -1.35 2.07 -1.52 -3.00 116.25 113.92 3fg4 h VAL 889 Ca 0.39 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3fg4 h VAL 889 Cb 0.13 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3fg4 h VAL 889 CO -0.14 0.12 0.44 0.11 0.02 0.00 0.00 177.57 178.12 3fg4 h LYS 890 N -0.32 0.85 0.00 1.57 1.57 -0.91 -2.50 116.57 116.83 3fg4 h LYS 890 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fg4 h LYS 890 Cb 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3fg4 h LYS 890 CO 0.02 0.56 0.00 0.54 -0.57 0.00 0.00 179.45 180.00 3fg4 n ARG 891 N -4.65 0.20 -2.65 3.15 1.74 0.41 -4.75 116.66 110.11 3fg4 n ARG 891 Ca 0.07 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 3fg4 n ARG 891 Cb 0.07 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3fg4 n ARG 891 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fg4 s ASP 892 N -2.77 6.26 0.54 0.55 2.15 -0.94 -4.85 116.67 117.61 3fg4 s ASP 892 Ca 0.19 -0.87 0.29 0.00 0.43 0.00 0.00 52.55 52.58 3fg4 s ASP 892 Cb 0.17 -2.52 1.55 0.00 -0.30 0.00 0.00 42.92 41.82 3fg4 s ASP 892 CO 0.43 -1.63 2.11 -1.13 -0.17 0.00 0.00 175.17 174.78 3fg4 h ASN 893 N 9.80 0.00 0.07 -0.34 -1.24 -1.87 -1.80 115.58 120.19 3fg4 h ASN 893 Ca -0.16 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 3fg4 h ASN 893 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.10 3fg4 h ASN 893 CO 1.27 0.09 -0.03 -0.33 -1.29 0.00 0.00 177.43 177.14 3fg4 h GLU 894 N 0.00 -0.09 -0.03 6.67 5.08 -1.89 0.14 114.58 124.46 3fg4 h GLU 894 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3fg4 h GLU 894 Cb 0.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fg4 h GLU 894 CO 0.01 0.45 -0.13 0.97 -1.00 0.00 0.00 179.01 179.31 3fg4 h ILE 895 N -0.70 1.12 -0.02 3.13 6.09 -1.81 0.02 117.51 125.35 3fg4 h ILE 895 Ca -0.01 -0.54 -0.08 0.00 -1.37 0.00 0.00 64.86 62.86 3fg4 h ILE 895 Cb 0.58 1.24 0.01 0.00 0.47 0.00 0.00 36.82 39.12 3fg4 h ILE 895 CO 0.01 0.16 -0.29 1.56 -3.07 0.00 0.00 178.15 176.52 3fg4 h GLN 896 N 0.05 0.23 -0.79 2.19 1.08 -1.26 -2.33 115.11 114.28 3fg4 h GLN 896 Ca 0.01 -0.22 0.14 0.00 -1.45 0.00 0.00 58.65 57.13 3fg4 h GLN 896 Cb 0.27 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 3fg4 h GLN 896 CO 0.02 0.92 0.52 0.77 -0.95 0.00 0.00 178.83 180.11 3fg4 h SER 897 N -0.38 0.49 0.01 1.46 0.02 -0.56 -0.96 113.55 113.63 3fg4 h SER 897 Ca -0.03 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3fg4 h SER 897 Cb 1.01 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3fg4 h SER 897 CO 0.06 0.26 -0.01 -0.25 -1.14 0.00 0.00 176.83 175.75 3fg4 h TRP 898 N 0.53 -0.01 -0.01 3.45 7.01 -0.64 0.17 115.95 126.44 3fg4 h TRP 898 Ca 0.39 -0.00 -0.18 0.00 2.11 0.00 0.00 58.89 61.21 3fg4 h TRP 898 Cb 0.76 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 3fg4 h TRP 898 CO -0.00 0.25 -0.79 0.97 -2.79 0.00 0.00 178.44 176.07 3fg4 h ILE 899 N -0.27 1.49 -0.44 2.65 6.09 -1.30 -3.14 117.51 122.59 3fg4 h ILE 899 Ca -0.00 -2.50 -0.03 0.00 -1.37 0.00 0.00 64.86 60.96 3fg4 h ILE 899 Cb 0.26 2.36 -0.02 0.00 0.47 0.00 0.00 36.82 39.90 3fg4 h ILE 899 CO 0.00 0.72 0.15 0.22 -3.07 0.00 0.00 178.15 176.17 3fg4 h TYR 900 N 0.09 0.69 -0.80 2.19 3.20 -1.00 0.35 116.97 121.70 3fg4 h TYR 900 Ca -0.03 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.84 3fg4 h TYR 900 Cb 1.38 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 3fg4 h TYR 900 CO 0.02 0.62 0.49 0.22 -1.64 0.00 0.00 178.16 177.87 3fg4 h ASP 901 N 0.56 0.76 -0.43 -2.11 1.82 -0.70 0.44 116.42 116.77 3fg4 h ASP 901 Ca 0.14 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.67 3fg4 h ASP 901 Cb 0.24 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 3fg4 h ASP 901 CO -0.01 0.49 -0.24 0.58 -1.61 0.00 0.00 179.24 178.46 3fg4 h VAL 902 N 0.90 1.27 -0.05 2.25 2.07 -1.41 0.33 116.25 121.62 3fg4 h VAL 902 Ca 0.35 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3fg4 h VAL 902 Cb 0.15 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fg4 h VAL 902 CO -0.17 0.48 0.03 -0.74 0.02 0.00 0.00 177.57 177.19 3fg4 h HIS 903 N 0.81 0.06 0.11 1.57 -0.00 0.67 0.47 115.15 118.84 3fg4 h HIS 903 Ca 0.10 -0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.33 3fg4 h HIS 903 Cb 0.80 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 28.21 3fg4 h HIS 903 CO 0.05 0.08 -0.64 -0.22 -0.00 0.00 0.00 177.93 177.20 3fg4 h LYS 904 N 0.02 0.24 -0.00 5.26 1.63 -0.24 -3.41 116.57 120.08 3fg4 h LYS 904 Ca 0.02 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3fg4 h LYS 904 Cb 0.04 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3fg4 h LYS 904 CO -0.00 1.19 -0.11 0.09 -3.45 0.00 0.00 179.45 177.16 3fg4 n ASN 905 N -4.23 0.86 -0.00 4.20 5.03 0.08 -4.64 115.26 116.56 3fg4 n ASN 905 Ca -0.13 -0.93 -0.01 0.00 0.87 0.00 0.00 54.58 54.39 3fg4 n ASN 905 Cb 0.75 0.49 -0.00 0.00 -1.02 0.00 0.00 39.78 40.00 3fg4 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg4 n GLY 906 N 0.70 -0.28 3.06 7.41 0.00 -0.39 -4.44 105.19 111.26 3fg4 n GLY 906 Ca 0.02 -0.02 -0.42 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 -2.64 3.24 -2.24 1.61 7.02 0.02 -0.02 117.44 124.43 3fg4 n TRP 907 Ca -0.01 -3.11 -0.42 0.00 -1.02 0.00 0.00 57.50 52.94 3fg4 n TRP 907 Cb 0.03 -1.32 -0.03 0.00 -2.42 0.00 0.00 31.31 27.57 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 -2.32 4.29 -1.14 -0.99 0.52 -1.26 -4.79 118.95 113.26 3fg4 s ARG 908 Ca 0.31 1.95 -0.22 0.00 -0.52 0.00 0.00 55.73 57.26 3fg4 s ARG 908 Cb 0.01 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3fg4 s ARG 908 CO 0.04 -0.56 1.80 0.08 0.02 0.00 0.00 175.30 176.68 3fg4 s VAL 909 N 2.32 3.77 0.58 3.52 1.01 -1.26 -4.97 120.40 125.37 3fg4 s VAL 909 Ca 0.63 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3fg4 s VAL 909 Cb -0.31 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.35 3fg4 s VAL 909 CO 0.26 -1.46 0.85 0.20 0.00 0.00 0.00 175.10 174.96 3fg4 s ASN 910 N 5.82 5.34 0.19 3.32 0.01 -1.26 -4.94 114.94 123.42 3fg4 s ASN 910 Ca 0.61 0.36 -0.33 0.00 -0.71 0.00 0.00 52.86 52.78 3fg4 s ASN 910 Cb -0.00 -1.27 -0.14 0.00 0.41 0.00 0.00 41.25 40.24 3fg4 s ASN 910 CO 0.05 -1.16 1.37 -2.65 -1.51 0.00 0.00 177.10 173.20 3fg4 n PRO 911 N -2.51 1.75 -0.10 -0.60 -0.02 -1.26 -1.94 135.00 130.32 3fg4 n PRO 911 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3fg4 n PRO 911 Cb 0.59 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3fg4 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg4 n GLY 912 N 2.39 0.89 3.89 -1.23 0.00 -1.26 -5.07 105.19 104.81 3fg4 n GLY 912 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.43 3.46 0.97 1.61 3.76 -0.82 -4.98 115.29 116.86 3fg4 s HIS 913 Ca 0.00 0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 55.43 3fg4 s HIS 913 Cb 0.00 -2.11 0.18 0.00 1.11 0.00 0.00 32.58 31.76 3fg4 s HIS 913 CO 0.00 0.30 1.20 -0.65 -0.85 0.00 0.00 174.74 174.74 3fg4 s GLN 914 N -3.01 0.63 0.26 1.40 -1.52 -0.20 -4.89 119.66 112.34 3fg4 s GLN 914 Ca 0.44 -0.03 -0.30 0.00 -1.95 0.00 0.00 55.36 53.52 3fg4 s GLN 914 Cb -0.11 -1.81 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 3fg4 s GLN 914 CO 0.25 -2.48 1.43 0.34 -0.25 0.00 0.00 175.29 174.58 3fg4 s ASP 915 N -4.36 6.65 0.00 5.90 2.15 -1.26 -4.82 116.67 120.93 3fg4 s ASP 915 Ca 0.68 2.68 0.26 0.00 0.43 0.00 0.00 52.55 56.61 3fg4 s ASP 915 Cb -0.10 -2.63 0.73 0.00 -0.30 0.00 0.00 42.92 40.62 3fg4 s ASP 915 CO 0.53 -0.69 1.56 1.41 -0.17 0.00 0.00 175.17 177.81 3fg4 n HIS 916 N 2.13 0.00 -1.11 -5.34 8.25 -1.26 -4.63 115.22 113.26 3fg4 n HIS 916 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 3fg4 n HIS 916 Cb 0.40 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 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 1.25 0.68 3.66 -1.41 0.00 -1.26 -0.15 105.19 107.95 3fg4 n GLY 917 Ca 0.16 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3fg4 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg4 s VAL 918 N -2.10 5.11 0.53 1.61 1.01 -1.26 -4.50 120.40 120.79 3fg4 s VAL 918 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 3fg4 s VAL 918 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3fg4 s VAL 918 CO 0.00 0.17 1.23 -2.84 0.00 0.00 0.00 175.10 173.66 3fg4 s PRO 919 N 1.69 3.32 0.51 2.72 0.02 -1.26 -4.82 135.00 137.17 3fg4 s PRO 919 Ca 0.23 1.90 0.31 0.00 0.02 0.00 0.00 61.00 63.46 3fg4 s PRO 919 Cb -0.15 -2.19 1.17 0.00 0.02 0.00 0.00 34.50 33.35 3fg4 s PRO 919 CO 0.09 -0.95 1.90 0.00 -0.33 0.00 0.00 177.00 177.72 3fg4 h ALA 920 N 1.46 1.00 -2.99 -1.55 0.00 -1.95 -3.41 119.26 111.83 3fg4 h ALA 920 Ca -0.50 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.45 3fg4 h ALA 920 Cb 1.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3fg4 h ALA 920 CO 0.58 0.00 0.22 -1.54 0.00 0.00 0.00 179.25 178.50 3fg4 s SER 921 N -5.65 -0.19 -0.09 0.00 1.04 -1.26 -4.15 113.70 103.41 3fg4 s SER 921 Ca 0.02 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 3fg4 s SER 921 Cb 0.08 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 3fg4 s SER 921 CO 0.55 -1.41 0.00 -0.36 0.98 0.00 0.00 173.24 173.01 3fg4 s PHE 922 N -3.60 3.17 -0.17 5.02 0.40 -1.26 -5.02 117.98 116.52 3fg4 s PHE 922 Ca 0.13 0.19 0.12 0.00 -0.60 0.00 0.00 56.93 56.76 3fg4 s PHE 922 Cb -0.06 -1.80 -0.18 0.00 0.51 0.00 0.00 43.02 41.49 3fg4 s PHE 922 CO 0.08 0.46 0.01 0.39 0.70 0.00 0.00 175.22 176.86 3fg4 n GLU 923 N 2.20 1.24 -4.13 0.44 -0.58 -1.26 -4.39 120.64 114.15 3fg4 n GLU 923 Ca -0.19 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.48 3fg4 n GLU 923 Cb 0.54 -1.41 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 3fg4 n GLU 923 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fg4 s SER 924 N -5.14 0.83 0.50 1.62 1.04 -1.26 -4.68 113.70 106.61 3fg4 s SER 924 Ca -0.12 -0.96 0.17 0.00 0.48 0.00 0.00 55.95 55.52 3fg4 s SER 924 Cb 0.05 0.14 1.23 0.00 0.10 0.00 0.00 66.02 67.53 3fg4 s SER 924 CO 0.62 -0.50 2.09 0.03 0.98 0.00 0.00 173.24 176.45 3fg4 h ARG 925 N 3.17 0.10 0.00 4.02 3.08 -1.86 -2.48 114.38 120.41 3fg4 h ARG 925 Ca -0.35 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.49 3fg4 h ARG 925 Cb 1.16 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3fg4 h ARG 925 CO 0.63 0.07 -0.99 1.05 -1.07 0.00 0.00 179.97 179.66 3fg4 h GLU 926 N 0.11 0.00 -0.23 0.04 9.09 -1.99 -1.10 114.58 120.50 3fg4 h GLU 926 Ca 0.10 -0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.32 3fg4 h GLU 926 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 3fg4 h GLU 926 CO -0.01 0.99 -0.58 0.37 0.05 0.00 0.00 179.01 179.83 3fg4 h GLN 927 N 0.00 0.79 -0.32 1.06 4.15 -1.87 -1.76 115.11 117.16 3fg4 h GLN 927 Ca -0.01 -0.55 0.01 0.00 0.77 0.00 0.00 58.65 58.87 3fg4 h GLN 927 Cb 1.75 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.50 3fg4 h GLN 927 CO 0.13 1.17 0.20 1.25 -1.93 0.00 0.00 178.83 179.65 3fg4 h LEU 928 N 0.54 0.34 -0.51 -2.39 5.85 -1.39 -1.54 115.31 116.20 3fg4 h LEU 928 Ca -0.01 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3fg4 h LEU 928 Cb 1.20 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 3fg4 h LEU 928 CO 0.13 0.24 0.15 0.50 -0.34 0.00 0.00 178.44 179.12 3fg4 h LYS 929 N 0.41 0.30 -0.32 1.25 3.64 -1.20 0.96 116.57 121.61 3fg4 h LYS 929 Ca 0.12 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3fg4 h LYS 929 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3fg4 h LYS 929 CO -0.04 0.20 0.10 1.49 -2.27 0.00 0.00 179.45 178.93 3fg4 h GLU 930 N 0.30 0.49 -0.35 1.90 4.81 -0.98 0.18 114.58 120.92 3fg4 h GLU 930 Ca 0.25 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 3fg4 h GLU 930 Cb 0.31 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3fg4 h GLU 930 CO -0.29 0.52 -0.32 0.28 -0.73 0.00 0.00 179.01 178.46 3fg4 h VAL 931 N 0.35 1.28 -0.39 0.32 2.07 -1.02 -0.58 116.25 118.28 3fg4 h VAL 931 Ca 0.10 -1.48 -0.15 0.00 0.82 0.00 0.00 66.70 66.00 3fg4 h VAL 931 Cb 0.23 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3fg4 h VAL 931 CO -0.00 0.49 -0.33 -0.07 0.02 0.00 0.00 177.57 177.67 3fg4 h LEU 932 N 0.65 0.98 -0.38 2.57 3.38 -0.72 -1.63 115.31 120.16 3fg4 h LEU 932 Ca 0.07 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3fg4 h LEU 932 Cb 0.86 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3fg4 h LEU 932 CO 0.08 1.22 0.25 0.74 0.09 0.00 0.00 178.44 180.81 3fg4 h THR 933 N 0.74 1.10 -0.36 0.22 2.02 -0.57 -0.49 112.91 115.57 3fg4 h THR 933 Ca 0.07 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3fg4 h THR 933 Cb 0.92 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3fg4 h THR 933 CO 0.09 0.10 0.06 0.28 0.37 0.00 0.00 175.52 176.41 3fg4 h SER 934 N 0.51 -0.01 -0.22 4.18 0.02 -0.95 -0.62 113.55 116.45 3fg4 h SER 934 Ca 0.14 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3fg4 h SER 934 Cb -0.05 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3fg4 h SER 934 CO -0.03 0.03 0.08 0.25 -1.14 0.00 0.00 176.83 176.02 3fg4 h LEU 935 N 0.18 0.31 -0.17 5.07 5.85 -0.95 -1.82 115.31 123.79 3fg4 h LEU 935 Ca 0.17 -0.18 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 3fg4 h LEU 935 Cb 0.20 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3fg4 h LEU 935 CO -0.23 0.41 -0.73 0.58 -0.34 0.00 0.00 178.44 178.12 3fg4 h VAL 936 N 0.20 1.28 -0.96 1.05 2.07 -0.87 -1.46 116.25 117.56 3fg4 h VAL 936 Ca 0.07 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.72 3fg4 h VAL 936 Cb 0.20 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3fg4 h VAL 936 CO -0.00 0.61 0.62 0.15 0.02 0.00 0.00 177.57 178.97 3fg4 h PHE 937 N 0.52 1.14 -0.02 1.57 3.57 -1.15 -2.13 116.94 120.44 3fg4 h PHE 937 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3fg4 h PHE 937 Cb 1.36 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3fg4 h PHE 937 CO 0.09 0.60 -0.02 1.15 -2.23 0.00 0.00 178.31 177.90 3fg4 h THR 938 N 1.12 1.37 -0.65 4.41 2.02 -0.59 0.45 112.91 121.05 3fg4 h THR 938 Ca 0.41 -1.13 0.11 0.00 0.77 0.00 0.00 66.41 66.57 3fg4 h THR 938 Cb 0.16 2.09 -0.08 0.00 -1.74 0.00 0.00 68.15 68.58 3fg4 h THR 938 CO -0.16 0.30 0.23 -0.26 0.37 0.00 0.00 175.52 176.00 3fg4 h PHE 939 N -0.40 0.39 0.00 3.16 0.05 -1.19 -1.96 116.94 116.98 3fg4 h PHE 939 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3fg4 h PHE 939 Cb 0.50 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.37 3fg4 h PHE 939 CO 0.09 0.06 0.00 -1.13 -0.18 0.00 0.00 178.31 177.15 3fg4 n SER 940 N -5.03 0.00 -0.06 2.17 3.41 -0.81 -2.54 113.62 110.76 3fg4 n SER 940 Ca 0.10 0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3fg4 n SER 940 Cb 0.33 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.09 0.50 -0.97 0.00 5.75 -1.31 -1.30 115.11 117.87 3fg4 h GLN 942 Ca 0.05 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 3fg4 h GLN 942 Cb 0.40 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 3fg4 h GLN 942 CO 0.01 0.82 0.63 1.25 -2.65 0.00 0.00 178.83 178.89 3fg4 h HIS 943 N 0.19 1.23 0.21 3.99 2.76 -1.35 -1.97 115.15 120.20 3fg4 h HIS 943 Ca 0.04 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3fg4 h HIS 943 Cb 0.71 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 3fg4 h HIS 943 CO 0.07 0.79 -0.13 0.00 -1.30 0.00 0.00 177.93 177.36 3fg4 h ALA 944 N 1.37 -0.32 -0.86 5.26 0.00 -1.05 0.15 119.26 123.82 3fg4 h ALA 944 Ca 0.35 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3fg4 h ALA 944 Cb -0.13 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3fg4 h ALA 944 CO -0.07 -0.69 0.56 0.00 0.00 0.00 0.00 179.25 179.04 3fg4 h ALA 945 N 0.45 1.74 -0.00 0.00 0.00 -0.94 -0.52 119.26 119.99 3fg4 h ALA 945 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fg4 h ALA 945 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fg4 h ALA 945 CO 0.01 0.07 -0.90 1.33 0.00 0.00 0.00 179.25 179.76 3fg4 n VAL 946 N -4.53 0.00 -0.09 0.00 0.24 -0.77 -4.31 118.33 108.87 3fg4 n VAL 946 Ca 0.15 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.31 3fg4 n VAL 946 Cb 0.36 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.22 1.93 0.00 -1.34 2.85 0.51 -4.71 115.26 113.28 3fg4 n ASN 947 Ca 0.05 0.33 0.10 0.00 -0.11 0.00 0.00 54.58 54.95 3fg4 n ASN 947 Cb 0.36 -0.74 0.46 0.00 1.24 0.00 0.00 39.78 41.10 3fg4 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg4 n PHE 948 N -4.44 0.00 1.64 1.20 3.01 -0.25 -1.98 117.46 116.64 3fg4 n PHE 948 Ca -0.15 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.47 3fg4 n PHE 948 Cb 0.52 -0.46 0.83 0.00 -0.01 0.00 0.00 39.48 40.36 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 -1.46 0.02 0.15 4.37 3.41 -1.26 -4.08 113.62 114.78 3fg4 n SER 949 Ca 0.06 -0.48 0.01 0.00 -0.26 0.00 0.00 58.87 58.20 3fg4 n SER 949 Cb 0.23 -0.17 0.22 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.03 0.00 0.70 4.33 4.20 -1.68 -2.51 115.11 120.18 3fg4 h GLN 950 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3fg4 h GLN 950 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3fg4 h GLN 950 CO 0.00 0.54 -0.40 -0.22 -0.67 0.00 0.00 178.83 178.08 3fg4 h LYS 951 N 0.00 -0.99 -0.47 1.46 3.11 -1.83 0.22 116.57 118.07 3fg4 h LYS 951 Ca -0.01 0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 3fg4 h LYS 951 Cb 1.04 0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 3fg4 h LYS 951 CO 0.07 -0.66 0.24 -0.44 -2.81 0.00 0.00 179.45 175.85 3fg4 h ASP 952 N -1.03 0.57 0.07 4.20 3.45 -1.85 0.72 116.42 122.57 3fg4 h ASP 952 Ca -0.09 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 3fg4 h ASP 952 Cb 0.82 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3fg4 h ASP 952 CO 0.11 0.48 -0.04 -0.74 -1.57 0.00 0.00 179.24 177.48 3fg4 h HIS 953 N 0.65 -0.09 -0.01 4.55 2.76 -1.19 -3.38 115.15 118.45 3fg4 h HIS 953 Ca 0.17 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3fg4 h HIS 953 Cb 0.04 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3fg4 h HIS 953 CO 0.00 0.47 -0.62 0.66 -1.30 0.00 0.00 177.93 177.14 3fg4 n TYR 954 N -4.80 0.00 -0.28 5.26 0.53 0.75 -4.33 117.16 114.28 3fg4 n TYR 954 Ca -0.08 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.80 3fg4 n TYR 954 Cb 0.30 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.72 3fg4 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3fg4 h GLY 955 N 4.28 1.15 -7.23 2.72 0.00 -0.91 -3.24 103.07 99.85 3fg4 h GLY 955 Ca 0.00 -0.34 -0.71 0.00 0.00 0.00 0.00 47.33 46.27 3fg4 h GLY 955 CO 0.00 0.24 -0.10 -0.12 0.00 0.00 0.00 176.54 176.57 3fg4 s PHE 956 N -6.08 3.13 0.38 5.60 5.36 -1.26 -4.60 117.98 120.50 3fg4 s PHE 956 Ca -0.13 -0.82 0.14 0.00 -0.96 0.00 0.00 56.93 55.17 3fg4 s PHE 956 Cb 0.17 -3.52 0.98 0.00 -0.34 0.00 0.00 43.02 40.31 3fg4 s PHE 956 CO 0.78 -1.00 1.81 1.15 -1.46 0.00 0.00 175.22 176.50 3fg4 h THR 957 N 5.84 0.65 0.00 0.12 2.02 -1.83 -1.20 112.91 118.51 3fg4 h THR 957 Ca -0.28 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3fg4 h THR 957 Cb 1.10 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3fg4 h THR 957 CO 0.97 0.09 0.00 -0.65 0.37 0.00 0.00 175.52 176.30 3fg4 h PRO 958 N 0.52 0.00 0.00 6.66 0.11 -1.92 -1.42 132.00 135.94 3fg4 h PRO 958 Ca 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.63 3fg4 h PRO 958 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fg4 h PRO 958 CO -0.26 0.00 -0.04 -0.97 -0.21 0.00 0.00 178.00 176.52 3fg4 h ASN 959 N 0.00 0.00 -0.06 -2.05 -0.73 -1.51 -3.40 115.58 107.83 3fg4 h ASN 959 Ca 0.00 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 3fg4 h ASN 959 Cb 0.49 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.94 3fg4 h ASN 959 CO 0.00 0.04 -0.23 0.00 -0.37 0.00 0.00 177.43 176.87 3fg4 n ALA 960 N -2.28 -2.73 -1.77 1.57 0.00 -0.58 -5.01 120.51 109.72 3fg4 n ALA 960 Ca -0.03 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.36 3fg4 n ALA 960 Cb 0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.11 3fg4 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 961 N 0.42 3.52 0.00 0.00 0.04 -0.97 -4.85 135.00 133.17 3fg4 s PRO 961 Ca 0.28 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3fg4 s PRO 961 Cb 0.20 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3fg4 s PRO 961 CO -0.14 -0.69 0.05 0.00 0.04 0.00 0.00 177.00 176.26 3fg4 n ALA 962 N -1.22 1.73 -2.58 8.56 0.00 -1.26 -3.29 120.51 122.45 3fg4 n ALA 962 Ca 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 3fg4 n ALA 962 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.74 1.09 0.02 0.00 1.01 -1.26 -0.34 121.20 120.98 3fg4 s ILE 963 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3fg4 s ILE 963 Cb 0.00 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3fg4 s ILE 963 CO 0.00 0.31 -0.19 -0.76 0.00 0.00 0.00 174.94 174.30 3fg4 s LEU 964 N -0.31 2.12 0.00 2.97 1.43 -1.24 -3.37 118.68 120.27 3fg4 s LEU 964 Ca 0.05 -0.45 0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3fg4 s LEU 964 Cb -0.05 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3fg4 s LEU 964 CO -0.00 0.17 0.84 0.54 0.23 0.00 0.00 176.35 178.12 3fg4 n ARG 965 N 2.14 1.61 -4.17 1.70 1.74 0.31 -0.85 116.66 119.14 3fg4 n ARG 965 Ca -0.16 -0.92 -0.15 0.00 -0.77 0.00 0.00 57.85 55.85 3fg4 n ARG 965 Cb 0.54 -1.23 -0.11 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.60 1.09 1.14 -1.55 3.76 -1.26 -4.84 115.29 112.04 3fg4 s HIS 966 Ca 0.13 -0.61 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 3fg4 s HIS 966 Cb 0.12 -0.60 0.26 0.00 1.11 0.00 0.00 32.58 33.46 3fg4 s HIS 966 CO 0.31 0.02 0.94 -0.35 -0.85 0.00 0.00 174.74 174.81 3fg4 n PRO 967 N 0.72 -2.15 -1.57 8.40 -0.04 -1.26 -4.84 135.00 134.26 3fg4 n PRO 967 Ca -0.17 -0.60 -0.31 0.00 -0.04 0.00 0.00 63.50 62.38 3fg4 n PRO 967 Cb 0.57 -2.15 0.05 0.00 -0.04 0.00 0.00 33.50 31.93 3fg4 n PRO 967 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fg4 s PRO 968 N -4.33 2.88 0.38 0.54 0.04 -1.26 -5.01 135.00 128.24 3fg4 s PRO 968 Ca 0.67 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 3fg4 s PRO 968 Cb -0.24 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3fg4 s PRO 968 CO 0.65 -1.13 1.10 -1.25 0.04 0.00 0.00 177.00 176.40 3fg4 s PRO 969 N -5.06 4.19 -0.05 0.56 0.04 -1.26 -4.98 135.00 128.45 3fg4 s PRO 969 Ca 0.58 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 3fg4 s PRO 969 Cb -0.14 -2.69 -0.31 0.00 0.04 0.00 0.00 34.50 31.40 3fg4 s PRO 969 CO 0.55 -0.15 0.68 0.87 0.04 0.00 0.00 177.00 178.99 3fg4 h LYS 970 N 2.75 0.38 -6.20 4.56 1.57 -1.95 -3.45 116.57 114.23 3fg4 h LYS 970 Ca -0.48 -0.65 -0.50 0.00 -1.87 0.00 0.00 60.65 57.15 3fg4 h LYS 970 Cb 1.22 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.73 3fg4 h LYS 970 CO 0.63 1.31 -0.51 -1.59 -0.57 0.00 0.00 179.45 178.72 3fg4 s LYS 971 N -2.56 2.89 0.81 3.15 0.00 -1.26 -4.20 119.74 118.57 3fg4 s LYS 971 Ca -0.16 -1.10 -0.12 0.00 0.00 0.00 0.00 55.97 54.59 3fg4 s LYS 971 Cb 0.05 -2.55 0.08 0.00 0.00 0.00 0.00 37.83 35.41 3fg4 s LYS 971 CO 0.84 0.34 1.15 0.15 0.00 0.00 0.00 175.35 177.84 3fg4 s LYS 972 N -3.87 2.00 0.00 1.78 1.02 -1.26 -4.40 119.74 115.00 3fg4 s LYS 972 Ca 0.34 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.58 3fg4 s LYS 972 Cb -0.07 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3fg4 s LYS 972 CO 0.25 -1.60 0.00 0.41 -0.92 0.00 0.00 175.35 173.50 3fg4 n GLY 973 N -2.98 0.21 0.19 -3.33 0.00 -1.26 -4.93 105.19 93.08 3fg4 n GLY 973 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3fg4 n GLY 973 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fg4 h GLU 974 N 0.53 0.00 -6.28 1.61 -0.00 -2.00 -3.48 114.58 104.95 3fg4 h GLU 974 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.81 3fg4 h GLU 974 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.17 3fg4 h GLU 974 CO 0.00 0.12 0.11 0.00 -0.00 0.00 0.00 179.01 179.24 3fg4 s ALA 975 N -3.16 3.43 0.22 1.06 0.00 -1.26 -5.03 121.76 117.01 3fg4 s ALA 975 Ca 0.05 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.28 3fg4 s ALA 975 Cb 0.06 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 3fg4 s ALA 975 CO 0.71 0.15 -0.08 0.95 0.00 0.00 0.00 175.76 177.49 3fg4 s THR 976 N -0.36 1.41 0.27 0.00 -4.23 -1.26 -4.60 115.64 106.86 3fg4 s THR 976 Ca 0.36 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3fg4 s THR 976 Cb -0.20 -2.18 0.25 0.00 1.34 0.00 0.00 72.50 71.70 3fg4 s THR 976 CO 0.22 -0.48 1.77 0.25 -0.54 0.00 0.00 174.62 175.84 3fg4 h LEU 977 N 2.51 0.58 -1.58 4.79 5.85 -1.98 0.12 115.31 125.61 3fg4 h LEU 977 Ca -0.38 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3fg4 h LEU 977 Cb 1.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3fg4 h LEU 977 CO 0.64 0.26 -0.22 -0.61 -0.34 0.00 0.00 178.44 178.17 3fg4 h GLN 978 N 0.67 0.00 0.00 1.25 5.75 -1.96 -1.06 115.11 119.75 3fg4 h GLN 978 Ca 0.47 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.76 3fg4 h GLN 978 Cb 0.64 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 3fg4 h GLN 978 CO -0.35 0.22 -1.44 0.66 -2.65 0.00 0.00 178.83 175.26 3fg4 h SER 979 N 0.00 0.00 0.15 -0.69 4.64 -1.41 -2.68 113.55 113.56 3fg4 h SER 979 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fg4 h SER 979 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3fg4 h SER 979 CO 0.03 0.73 -0.07 0.40 -0.87 0.00 0.00 176.83 177.04 3fg4 h ILE 980 N 0.00 0.98 0.00 0.95 2.04 -0.77 -2.35 117.51 118.36 3fg4 h ILE 980 Ca -0.19 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3fg4 h ILE 980 Cb 1.72 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3fg4 h ILE 980 CO 0.06 0.14 -0.11 -0.07 0.00 0.00 0.00 178.15 178.17 3fg4 h LEU 981 N -0.49 0.00 -0.01 1.44 3.38 -1.27 0.21 115.31 118.57 3fg4 h LEU 981 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fg4 h LEU 981 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fg4 h LEU 981 CO 0.03 0.11 0.00 -1.28 0.09 0.00 0.00 178.44 177.40 3fg4 h SER 982 N 0.00 0.00 0.21 -0.43 0.87 -1.46 -3.31 113.55 109.42 3fg4 h SER 982 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 3fg4 h SER 982 Cb 0.28 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3fg4 h SER 982 CO 0.01 0.00 -1.96 0.41 -0.53 0.00 0.00 176.83 174.76 3fg4 n THR 983 N -2.95 1.72 -0.64 2.23 -1.04 0.46 -4.68 114.28 109.38 3fg4 n THR 983 Ca 0.04 -0.69 -0.31 0.00 -2.04 0.00 0.00 64.05 61.05 3fg4 n THR 983 Cb 0.51 -1.51 0.18 0.00 -1.82 0.00 0.00 70.33 67.69 3fg4 n THR 983 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3fg4 n LEU 984 N -3.34 1.47 -4.63 -4.42 4.77 0.40 -0.53 117.00 110.72 3fg4 n LEU 984 Ca -0.29 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.56 3fg4 n LEU 984 Cb 1.05 -1.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3fg4 n LEU 984 CO 0.43 -2.67 0.59 -2.65 -1.33 0.00 0.00 177.39 171.76 3fg4 n PRO 985 N -3.96 0.95 -1.31 3.23 -0.02 -1.22 -4.61 135.00 128.06 3fg4 n PRO 985 Ca 0.09 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 3fg4 n PRO 985 Cb 0.53 -2.21 0.13 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.24 3.67 0.28 2.55 1.04 -1.26 -4.72 113.70 114.02 3fg4 s SER 986 Ca 0.76 1.38 -0.03 0.00 0.48 0.00 0.00 55.95 58.55 3fg4 s SER 986 Cb -0.42 -2.07 0.39 0.00 0.10 0.00 0.00 66.02 64.02 3fg4 s SER 986 CO 0.47 -2.50 1.89 0.07 0.98 0.00 0.00 173.24 174.14 3fg4 h LYS 987 N -1.45 1.01 -0.19 4.02 2.10 -1.98 0.47 116.57 120.55 3fg4 h LYS 987 Ca -0.49 -0.13 -0.21 0.00 -2.00 0.00 0.00 60.65 57.82 3fg4 h LYS 987 Cb 1.29 -0.19 0.01 0.00 -0.90 0.00 0.00 32.23 32.43 3fg4 h LYS 987 CO 0.57 0.77 -0.68 1.03 -2.00 0.00 0.00 179.45 179.13 3fg4 h SER 988 N 1.01 0.93 -0.33 7.07 0.87 -1.98 0.15 113.55 121.26 3fg4 h SER 988 Ca 0.25 -0.60 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 3fg4 h SER 988 Cb 0.08 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 3fg4 h SER 988 CO -0.03 1.37 0.11 1.56 -0.53 0.00 0.00 176.83 179.31 3fg4 h GLN 989 N 0.53 0.25 -0.54 2.24 4.20 -1.68 -0.56 115.11 119.54 3fg4 h GLN 989 Ca -0.03 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3fg4 h GLN 989 Cb 1.31 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 3fg4 h GLN 989 CO 0.14 0.16 0.06 0.00 -0.67 0.00 0.00 178.83 178.53 3fg4 h ALA 990 N 1.22 0.73 -0.88 3.87 0.00 0.08 -1.96 119.26 122.31 3fg4 h ALA 990 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fg4 h ALA 990 Cb 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3fg4 h ALA 990 CO -0.16 0.49 0.58 0.00 0.00 0.00 0.00 179.25 180.17 3fg4 h ALA 991 N 0.98 1.13 -0.23 0.00 0.00 -0.56 -1.70 119.26 118.87 3fg4 h ALA 991 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3fg4 h ALA 991 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fg4 h ALA 991 CO 0.02 0.49 -0.27 0.87 0.00 0.00 0.00 179.25 180.36 3fg4 h LYS 992 N 1.17 0.45 -0.13 0.00 1.57 -0.71 0.14 116.57 119.05 3fg4 h LYS 992 Ca 0.33 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 3fg4 h LYS 992 Cb -0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3fg4 h LYS 992 CO -0.08 0.68 -0.57 0.00 -0.57 0.00 0.00 179.45 178.91 3fg4 h ALA 993 N 1.32 0.77 -0.49 3.86 0.00 -0.93 -2.04 119.26 121.75 3fg4 h ALA 993 Ca 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3fg4 h ALA 993 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3fg4 h ALA 993 CO 0.05 0.70 0.02 0.82 0.00 0.00 0.00 179.25 180.84 3fg4 h ILE 994 N 0.31 1.26 -0.54 0.00 2.04 -0.92 -2.23 117.51 117.43 3fg4 h ILE 994 Ca 0.00 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3fg4 h ILE 994 Cb 1.10 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3fg4 h ILE 994 CO 0.10 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.93 3fg4 h ALA 995 N 0.93 0.69 -0.49 1.87 0.00 -0.73 -1.03 119.26 120.51 3fg4 h ALA 995 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3fg4 h ALA 995 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3fg4 h ALA 995 CO 0.02 0.02 0.27 1.15 0.00 0.00 0.00 179.25 180.72 3fg4 h THR 996 N 0.62 1.02 -0.14 0.00 2.02 -1.31 -2.12 112.91 113.00 3fg4 h THR 996 Ca 0.22 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 3fg4 h THR 996 Cb 0.04 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3fg4 h THR 996 CO -0.11 0.10 -0.30 0.58 0.37 0.00 0.00 175.52 176.16 3fg4 h VAL 997 N 0.54 1.26 -0.20 3.16 2.07 -1.04 -0.88 116.25 121.17 3fg4 h VAL 997 Ca 0.20 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3fg4 h VAL 997 Cb 0.06 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3fg4 h VAL 997 CO -0.11 0.38 0.08 0.22 0.02 0.00 0.00 177.57 178.16 3fg4 h TYR 998 N 0.23 0.30 -0.54 1.57 3.20 -0.71 -2.35 116.97 118.67 3fg4 h TYR 998 Ca 0.03 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 3fg4 h TYR 998 Cb 0.66 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3fg4 h TYR 998 CO 0.01 0.34 -0.02 0.82 -1.64 0.00 0.00 178.16 177.67 3fg4 h ILE 999 N 0.17 1.26 -0.00 1.81 2.04 -1.07 -3.12 117.51 118.59 3fg4 h ILE 999 Ca 0.07 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3fg4 h ILE 999 Cb 0.17 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3fg4 h ILE 999 CO -0.01 0.40 -0.29 0.18 0.00 0.00 0.00 178.15 178.43 3fg4 n LEU 1000N -4.19 0.34 -0.36 1.44 4.77 -0.36 -3.53 117.00 115.11 3fg4 n LEU 1000Ca 0.03 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.23 3fg4 n LEU 1000Cb 0.34 -0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3fg4 n LEU 1000CO 0.43 0.08 0.59 0.35 -1.33 0.00 0.00 177.39 177.51 3fg4 n THR 1001N -1.44 1.47 -2.91 -5.08 -2.24 -0.89 -4.88 114.28 98.31 3fg4 n THR 1001Ca 0.07 -1.47 -0.42 0.00 -2.27 0.00 0.00 64.05 59.96 3fg4 n THR 1001Cb 0.33 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.81 4.09 0.22 -0.78 2.47 -1.18 -4.99 119.74 117.75 3fg4 s LYS 1002Ca 0.22 0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 55.12 3fg4 s LYS 1002Cb 0.17 -3.68 -0.08 0.00 -1.46 0.00 0.00 37.83 32.77 3fg4 s LYS 1002CO 0.07 -0.59 1.10 -0.06 0.16 0.00 0.00 175.35 176.02 3fg4 s PHE 1003N 2.91 3.60 0.49 4.03 0.40 -1.26 -5.01 117.98 123.14 3fg4 s PHE 1003Ca 0.34 1.64 -0.22 0.00 -0.60 0.00 0.00 56.93 58.10 3fg4 s PHE 1003Cb -0.15 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 40.04 3fg4 s PHE 1003CO 0.10 -0.56 1.15 0.45 0.70 0.00 0.00 175.22 177.06 3fg4 s SER 1004N -0.43 6.00 0.53 1.36 0.15 -1.26 -4.91 113.70 115.15 3fg4 s SER 1004Ca 0.47 2.26 0.29 0.00 0.70 0.00 0.00 55.95 59.68 3fg4 s SER 1004Cb -0.30 -2.60 1.51 0.00 -1.71 0.00 0.00 66.02 62.92 3fg4 s SER 1004CO 0.37 -1.03 2.09 1.05 1.20 0.00 0.00 173.24 176.92 3fg4 h GLU 1005N 1.74 0.00 -0.67 5.44 9.09 -1.96 -0.59 114.58 127.63 3fg4 h GLU 1005Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 3fg4 h GLU 1005Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3fg4 h GLU 1005CO 0.59 0.10 0.00 -0.40 0.05 0.00 0.00 179.01 179.35 3fg4 n ASP 1006N -3.58 4.37 -4.68 3.06 5.75 -1.26 -5.00 116.55 115.20 3fg4 n ASP 1006Ca -0.02 -2.31 -0.40 0.00 -0.01 0.00 0.00 54.79 52.05 3fg4 n ASP 1006Cb 0.23 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.22 1.64 -4.43 0.11 4.07 -0.23 -5.00 120.64 118.02 3fg4 n GLU 1007Ca 0.24 0.59 -0.34 0.00 -0.06 0.00 0.00 57.16 57.60 3fg4 n GLU 1007Cb 0.79 -2.31 -0.15 0.00 -0.06 0.00 0.00 31.44 29.71 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 -2.35 3.32 0.50 5.31 0.52 -1.26 -5.04 118.95 119.95 3fg4 s ARG 1008Ca 0.65 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 55.22 3fg4 s ARG 1008Cb -0.49 -2.73 0.03 0.00 0.52 0.00 0.00 34.95 32.28 3fg4 s ARG 1008CO 0.55 0.03 0.69 0.71 0.02 0.00 0.00 175.30 177.30 3fg4 s TYR 1009N 0.82 2.60 -0.27 -0.53 1.51 -1.26 -1.73 117.35 118.49 3fg4 s TYR 1009Ca -0.04 -0.29 -0.41 0.00 -1.01 0.00 0.00 57.07 55.32 3fg4 s TYR 1009Cb -0.15 -2.53 -0.16 0.00 -0.11 0.00 0.00 41.96 39.00 3fg4 s TYR 1009CO 0.00 -0.74 1.69 -0.11 -1.11 0.00 0.00 175.55 175.29 3fg4 n LEU 1010N -2.13 2.20 0.00 -1.29 7.94 0.18 -1.11 117.00 122.79 3fg4 n LEU 1010Ca 0.09 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3fg4 n LEU 1010Cb 0.60 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.43 3fg4 n LEU 1010CO 0.41 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3fg4 n GLY 1011N 4.03 0.92 3.55 -3.96 0.00 -1.26 -4.89 105.19 103.58 3fg4 n GLY 1011Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.97 5.99 -0.36 1.61 3.84 -0.26 -4.81 114.94 117.97 3fg4 s ASN 1012Ca 0.00 -0.29 0.06 0.00 0.21 0.00 0.00 52.86 52.85 3fg4 s ASN 1012Cb 0.00 -2.55 0.49 0.00 -0.55 0.00 0.00 41.25 38.63 3fg4 s ASN 1012CO 0.00 -1.94 1.49 -1.22 -2.79 0.00 0.00 177.10 172.63 3fg4 n TYR 1013N 10.04 1.93 0.28 0.43 4.01 -1.26 -4.67 117.16 127.92 3fg4 n TYR 1013Ca 0.06 -2.02 0.17 0.00 -0.16 0.00 0.00 57.90 55.95 3fg4 n TYR 1013Cb 0.50 -0.62 0.76 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.49 0.00 -0.67 7.72 4.64 -1.99 -2.76 113.55 121.97 3fg4 h SER 1014Ca 0.33 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 61.20 3fg4 h SER 1014Cb 1.51 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.31 3fg4 h SER 1014CO 0.70 0.05 -0.15 0.00 -0.87 0.00 0.00 176.83 176.56 3fg4 n ALA 1015N -2.13 5.11 -2.47 5.18 0.00 -1.26 -5.03 120.51 119.91 3fg4 n ALA 1015Ca -0.00 -3.49 -0.20 0.00 0.00 0.00 0.00 53.44 49.74 3fg4 n ALA 1015Cb 0.27 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.18 3.68 -0.24 0.00 -4.23 -1.05 -4.96 115.64 104.67 3fg4 s THR 1016Ca 0.52 -1.22 0.14 0.00 -1.18 0.00 0.00 61.69 59.95 3fg4 s THR 1016Cb 0.43 -3.26 0.81 0.00 1.34 0.00 0.00 72.50 71.83 3fg4 s THR 1016CO 0.01 -0.16 1.74 0.00 -0.54 0.00 0.00 174.62 175.68 3fg4 n ALA 1017N -1.49 3.87 -2.03 3.99 0.00 -1.26 -4.98 120.51 118.60 3fg4 n ALA 1017Ca -0.01 -1.95 -0.41 0.00 0.00 0.00 0.00 53.44 51.07 3fg4 n ALA 1017Cb 0.59 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.78 3.29 0.00 0.00 0.52 -1.26 -4.81 118.94 113.90 3fg4 s TRP 1018Ca 0.54 1.25 0.00 0.00 0.02 0.00 0.00 56.10 57.91 3fg4 s TRP 1018Cb 0.42 -3.57 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 3fg4 s TRP 1018CO 0.16 -1.77 0.00 0.39 0.02 0.00 0.00 176.95 175.75 3fg4 n GLU 1019N 2.71 1.90 -1.68 4.98 -0.58 -1.26 -5.02 120.64 121.69 3fg4 n GLU 1019Ca 0.06 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.32 3fg4 n GLU 1019Cb 0.43 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 30.32 3fg4 n GLU 1019CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3fg4 n ASP 1020N -2.07 3.36 -0.33 1.62 -0.08 -1.26 -4.90 116.55 112.88 3fg4 n ASP 1020Ca 0.00 1.00 0.07 0.00 -1.51 0.00 0.00 54.79 54.35 3fg4 n ASP 1020Cb 0.44 -1.38 0.26 0.00 2.34 0.00 0.00 41.12 42.78 3fg4 n ASP 1020CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3fg4 h LYS 1021N 8.51 0.93 -0.49 -0.67 6.56 -1.99 -1.07 116.57 128.34 3fg4 h LYS 1021Ca -0.48 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 58.93 3fg4 h LYS 1021Cb 1.27 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.71 3fg4 h LYS 1021CO 0.94 0.61 -0.18 -0.44 -2.06 0.00 0.00 179.45 178.32 3fg4 h ASP 1022N 0.95 1.01 -0.68 0.86 3.45 -1.99 -1.31 116.42 118.71 3fg4 h ASP 1022Ca 0.47 -0.38 0.03 0.00 0.43 0.00 0.00 57.03 57.58 3fg4 h ASP 1022Cb 0.47 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 3fg4 h ASP 1022CO -0.23 1.16 0.42 0.00 -1.57 0.00 0.00 179.24 179.02 3fg4 h ALA 1023N 0.88 0.89 -0.75 3.45 0.00 -1.73 0.03 119.26 122.03 3fg4 h ALA 1023Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fg4 h ALA 1023Cb 0.75 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3fg4 h ALA 1023CO 0.06 0.17 0.29 -0.07 0.00 0.00 0.00 179.25 179.69 3fg4 h LEU 1024N 0.81 1.04 -0.46 0.00 3.38 -1.02 -0.58 115.31 118.48 3fg4 h LEU 1024Ca 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fg4 h LEU 1024Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3fg4 h LEU 1024CO -0.12 0.94 0.31 0.44 0.09 0.00 0.00 178.44 180.09 3fg4 h ASP 1025N 1.08 0.53 -0.70 -0.43 3.32 -0.86 -0.09 116.42 119.27 3fg4 h ASP 1025Ca 0.25 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.34 3fg4 h ASP 1025Cb 0.23 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3fg4 h ASP 1025CO -0.02 0.39 0.40 0.00 -1.72 0.00 0.00 179.24 178.29 3fg4 h ALA 1026N 1.17 0.94 -0.30 3.45 0.00 -0.43 -1.74 119.26 122.34 3fg4 h ALA 1026Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3fg4 h ALA 1026Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3fg4 h ALA 1026CO -0.04 0.11 0.09 0.82 0.00 0.00 0.00 179.25 180.23 3fg4 h ILE 1027N 0.75 1.20 -0.69 0.00 2.04 -0.85 -0.87 117.51 119.09 3fg4 h ILE 1027Ca 0.31 -0.64 0.15 0.00 1.00 0.00 0.00 64.86 65.67 3fg4 h ILE 1027Cb 0.16 1.06 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 3fg4 h ILE 1027CO -0.17 0.22 -0.05 0.78 0.00 0.00 0.00 178.15 178.93 3fg4 h ASN 1028N 0.32 -0.41 -0.01 1.72 2.35 -0.36 0.16 115.58 119.36 3fg4 h ASN 1028Ca 0.10 0.18 -0.18 0.00 -0.55 0.00 0.00 56.30 55.85 3fg4 h ASN 1028Cb 0.24 0.34 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3fg4 h ASN 1028CO -0.00 -0.17 -0.60 0.03 -1.65 0.00 0.00 177.43 175.03 3fg4 h ARG 1029N 0.08 0.62 0.12 0.81 3.08 -1.03 -0.87 114.38 117.18 3fg4 h ARG 1029Ca 0.36 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fg4 h ARG 1029Cb 0.60 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3fg4 h ARG 1029CO -0.63 1.04 -0.06 0.35 -1.07 0.00 0.00 179.97 179.60 3fg4 h PHE 1030N 0.46 -0.15 -0.29 3.04 3.57 -0.13 -0.88 116.94 122.57 3fg4 h PHE 1030Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3fg4 h PHE 1030Cb 1.18 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3fg4 h PHE 1030CO 0.05 -0.08 0.15 1.96 -2.23 0.00 0.00 178.31 178.17 3fg4 h GLN 1031N -0.18 0.31 -0.77 1.11 4.20 -0.52 -0.87 115.11 118.40 3fg4 h GLN 1031Ca -0.02 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3fg4 h GLN 1031Cb 0.14 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3fg4 h GLN 1031CO 0.03 0.20 0.50 -0.44 -0.67 0.00 0.00 178.83 178.46 3fg4 h ASP 1032N 0.32 0.80 -0.47 1.46 3.32 -1.10 -1.64 116.42 119.11 3fg4 h ASP 1032Ca 0.12 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3fg4 h ASP 1032Cb 0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3fg4 h ASP 1032CO -0.07 0.55 0.01 0.50 -1.72 0.00 0.00 179.24 178.51 3fg4 h LYS 1033N 0.93 0.82 -0.70 3.56 1.63 -0.21 -2.62 116.57 119.99 3fg4 h LYS 1033Ca 0.31 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3fg4 h LYS 1033Cb 0.06 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3fg4 h LYS 1033CO -0.09 0.87 0.41 -0.07 -3.45 0.00 0.00 179.45 177.12 3fg4 h LEU 1034N 0.68 0.85 -0.55 5.20 3.38 -0.81 -1.00 115.31 123.05 3fg4 h LEU 1034Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fg4 h LEU 1034Cb 0.49 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3fg4 h LEU 1034CO 0.02 0.67 0.33 -0.08 0.09 0.00 0.00 178.44 179.46 3fg4 h GLU 1035N 0.97 0.75 -0.57 1.13 4.81 -1.19 0.32 114.58 120.80 3fg4 h GLU 1035Ca 0.25 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3fg4 h GLU 1035Cb -0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3fg4 h GLU 1035CO -0.04 0.55 0.21 -0.44 -0.73 0.00 0.00 179.01 178.56 3fg4 h ASP 1036N 0.74 0.80 -0.41 1.04 3.32 -1.04 -1.65 116.42 119.21 3fg4 h ASP 1036Ca 0.20 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3fg4 h ASP 1036Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3fg4 h ASP 1036CO -0.04 0.77 0.16 0.40 -1.72 0.00 0.00 179.24 178.81 3fg4 h ILE 1037N 0.79 1.20 0.15 0.35 2.04 -0.91 -2.37 117.51 118.75 3fg4 h ILE 1037Ca 0.19 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3fg4 h ILE 1037Cb 0.23 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3fg4 h ILE 1037CO -0.01 0.22 -0.43 -1.28 0.00 0.00 0.00 178.15 176.65 3fg4 h SER 1038N 0.51 -1.25 -0.63 1.72 0.87 -0.03 -0.96 113.55 113.78 3fg4 h SER 1038Ca 0.14 0.14 0.13 0.00 -1.23 0.00 0.00 61.79 60.96 3fg4 h SER 1038Cb 0.19 0.47 -0.11 0.00 -0.44 0.00 0.00 62.40 62.50 3fg4 h SER 1038CO -0.01 -0.50 -0.07 0.11 -0.53 0.00 0.00 176.83 175.83 3fg4 h LYS 1039N -0.68 0.06 -0.24 2.24 6.56 -1.24 -1.32 116.57 121.96 3fg4 h LYS 1039Ca 0.01 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.52 3fg4 h LYS 1039Cb 0.69 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 3fg4 h LYS 1039CO -0.23 0.04 -0.19 0.87 -2.06 0.00 0.00 179.45 177.87 3fg4 h LYS 1040N 0.06 0.42 -0.40 3.15 1.57 -1.07 0.13 116.57 120.43 3fg4 h LYS 1040Ca 0.32 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3fg4 h LYS 1040Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3fg4 h LYS 1040CO -0.59 0.60 -0.01 0.82 -0.57 0.00 0.00 179.45 179.70 3fg4 h ILE 1041N 0.38 1.26 -0.59 1.86 2.04 -0.50 -0.51 117.51 121.45 3fg4 h ILE 1041Ca 0.06 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 3fg4 h ILE 1041Cb 0.56 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3fg4 h ILE 1041CO 0.04 0.35 0.01 0.11 0.00 0.00 0.00 178.15 178.66 3fg4 h LYS 1042N 0.55 1.03 -0.58 2.37 1.57 -0.54 0.60 116.57 121.57 3fg4 h LYS 1042Ca 0.11 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3fg4 h LYS 1042Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3fg4 h LYS 1042CO 0.02 1.01 0.14 1.96 -0.57 0.00 0.00 179.45 182.01 3fg4 h GLN 1043N 0.92 0.93 -0.85 3.15 4.20 -0.73 -2.09 115.11 120.65 3fg4 h GLN 1043Ca 0.17 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.73 3fg4 h GLN 1043Cb 0.54 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 3fg4 h GLN 1043CO 0.03 0.87 0.51 -0.09 -0.67 0.00 0.00 178.83 179.47 3fg4 h ARG 1044N 0.84 0.85 -0.15 1.46 1.12 -0.74 -3.10 114.38 114.66 3fg4 h ARG 1044Ca 0.18 -0.05 -0.16 0.00 -1.11 0.00 0.00 59.98 58.84 3fg4 h ARG 1044Cb 0.36 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 3fg4 h ARG 1044CO 0.00 0.56 -0.58 -0.91 -3.11 0.00 0.00 179.97 175.94 3fg4 h ASN 1045N 0.88 0.54 0.19 -3.80 2.35 -0.46 -2.94 115.58 112.34 3fg4 h ASN 1045Ca 0.39 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3fg4 h ASN 1045Cb 0.28 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3fg4 h ASN 1045CO -0.21 1.00 0.00 1.05 -1.65 0.00 0.00 177.43 177.62 3fg4 h GLU 1046N 0.37 0.00 -0.34 0.81 4.11 -1.31 -0.51 114.58 117.70 3fg4 h GLU 1046Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fg4 h GLU 1046Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3fg4 h GLU 1046CO 0.10 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.27 3fg4 n ASN 1047N -2.96 2.36 -4.75 3.06 3.02 -1.11 -4.97 115.26 109.91 3fg4 n ASN 1047Ca -0.02 -1.89 -0.30 0.00 -0.03 0.00 0.00 54.58 52.34 3fg4 n ASN 1047Cb 0.11 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.29 3.70 0.18 3.41 1.43 -0.20 -5.00 118.68 120.90 3fg4 s LEU 1048Ca 0.33 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 3fg4 s LEU 1048Cb 0.18 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 44.07 3fg4 s LEU 1048CO 0.25 0.16 1.56 -0.33 0.23 0.00 0.00 176.35 178.21 3fg4 h GLU 1049N 3.22 0.89 -3.02 1.70 5.08 -1.93 -3.38 114.58 117.14 3fg4 h GLU 1049Ca -0.47 -0.40 -0.59 0.00 -1.00 0.00 0.00 59.36 56.89 3fg4 h GLU 1049Cb 1.17 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.00 3fg4 h GLU 1049CO 0.64 1.05 -0.77 0.08 -1.00 0.00 0.00 179.01 179.01 3fg4 s VAL 1050N -4.55 0.94 0.25 3.13 1.01 -1.26 -5.12 120.40 114.79 3fg4 s VAL 1050Ca -0.10 -2.03 -0.29 0.00 0.00 0.00 0.00 61.98 59.56 3fg4 s VAL 1050Cb 0.12 -1.68 -0.15 0.00 0.00 0.00 0.00 36.38 34.67 3fg4 s VAL 1050CO 0.86 -0.86 0.89 -2.65 0.00 0.00 0.00 175.10 173.34 3fg4 n PRO 1051N 4.03 0.92 -3.61 2.72 -0.02 -1.26 -4.97 135.00 132.81 3fg4 n PRO 1051Ca 0.06 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 3fg4 n PRO 1051Cb 0.37 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.94 3.23 -0.57 6.00 5.04 -1.26 -4.95 117.35 123.90 3fg4 s TYR 1052Ca 0.62 -0.89 0.08 0.00 -2.44 0.00 0.00 57.07 54.43 3fg4 s TYR 1052Cb -0.79 -2.42 -0.03 0.00 0.35 0.00 0.00 41.96 39.07 3fg4 s TYR 1052CO 0.58 -0.61 0.46 0.44 -1.34 0.00 0.00 175.55 175.08 3fg4 n ILE 1053N 4.99 0.00 0.35 3.14 -5.35 -1.26 -4.65 119.36 116.58 3fg4 n ILE 1053Ca -0.12 -0.38 0.13 0.00 -0.27 0.00 0.00 62.75 62.11 3fg4 n ILE 1053Cb 0.47 1.05 0.55 0.00 -1.74 0.00 0.00 39.64 39.98 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 0.51 0.00 -0.32 4.28 0.99 -1.95 -2.28 116.97 118.20 3fg4 h TYR 1054Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fg4 h TYR 1054Cb 0.23 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.96 3fg4 h TYR 1054CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3fg4 n LEU 1055N -2.41 3.55 -4.74 3.88 4.77 -1.26 -4.45 117.00 116.34 3fg4 n LEU 1055Ca 0.01 -2.55 -0.41 0.00 -0.03 0.00 0.00 56.01 53.03 3fg4 n LEU 1055Cb 0.22 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3fg4 n LEU 1055CO 0.20 0.70 1.14 -0.76 -1.33 0.00 0.00 177.39 177.34 3fg4 s LEU 1056N -1.99 4.38 0.39 2.23 1.43 -0.86 -4.92 118.68 119.34 3fg4 s LEU 1056Ca 0.35 2.71 0.11 0.00 -1.03 0.00 0.00 54.13 56.26 3fg4 s LEU 1056Cb 0.25 -3.62 0.90 0.00 0.03 0.00 0.00 46.19 43.74 3fg4 s LEU 1056CO 0.13 -0.75 1.94 -0.65 0.23 0.00 0.00 176.35 177.25 3fg4 h PRO 1057N 5.20 0.56 0.00 1.29 0.11 -1.91 -0.46 132.00 136.78 3fg4 h PRO 1057Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fg4 h PRO 1057Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fg4 h PRO 1057CO 0.79 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 178.11 3fg4 n GLU 1058N -4.49 0.19 -0.07 1.05 0.28 -1.26 -2.77 120.64 113.56 3fg4 n GLU 1058Ca 0.12 0.48 0.06 0.00 -0.16 0.00 0.00 57.16 57.67 3fg4 n GLU 1058Cb 0.37 -1.91 0.09 0.00 1.43 0.00 0.00 31.44 31.43 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 -2.27 1.47 -3.76 3.44 1.74 -0.20 -4.86 116.66 112.22 3fg4 n ARG 1059Ca 0.01 -1.54 -0.38 0.00 -0.77 0.00 0.00 57.85 55.17 3fg4 n ARG 1059Cb 0.18 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.01 3.82 0.39 0.55 1.01 -1.10 -4.95 121.20 119.91 3fg4 s ILE 1060Ca 0.18 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 3fg4 s ILE 1060Cb 0.11 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 3fg4 s ILE 1060CO 0.16 -0.10 1.35 -2.84 0.00 0.00 0.00 174.94 173.50 3fg4 s PRO 1061N 1.43 4.03 0.56 2.79 0.02 -1.26 0.51 135.00 143.07 3fg4 s PRO 1061Ca -0.00 2.26 0.31 0.00 0.02 0.00 0.00 61.00 63.59 3fg4 s PRO 1061Cb -0.19 -2.84 1.46 0.00 0.02 0.00 0.00 34.50 32.96 3fg4 s PRO 1061CO 0.03 -0.48 1.85 -0.91 -0.33 0.00 0.00 177.00 177.16 3fg4 h ASN 1062N 2.81 0.00 -4.42 2.53 2.35 -1.55 -3.39 115.58 113.92 3fg4 h ASN 1062Ca -0.50 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.81 3fg4 h ASN 1062Cb 1.24 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.51 3fg4 h ASN 1062CO 0.63 0.00 -0.38 0.61 -1.65 0.00 0.00 177.43 176.64 3fg4 n GLY 1063N -1.65 3.35 3.18 2.83 0.00 -1.26 -3.88 105.19 107.75 3fg4 n GLY 1063Ca 0.16 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 3fg4 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg4 s THR 1064N -2.85 3.82 0.00 2.61 2.01 -1.05 -4.56 115.64 115.61 3fg4 s THR 1064Ca 0.19 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.31 3fg4 s THR 1064Cb 0.01 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3fg4 s THR 1064CO 0.14 -0.73 0.27 0.00 -0.69 0.00 0.00 174.62 173.61 3fg4 n ALA 1065N 4.78 1.06 -1.68 7.40 0.00 -1.26 -1.67 120.51 129.14 3fg4 n ALA 1065Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3fg4 n ALA 1065Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3fg4 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01